In the recent years, tubular nanostructures have been related with immense advances in various fields of science and technology. Considerable research efforts have been centered on the theoretical prediction and manufacturing of non-carbon nanotubes (NTs), which meet modern requirements for the developing of novel devices and systems. In this context, diatomic inorganic nanotubes formed by atoms of elements from the 13th group of the periodic table (B, Al, Ga, In, Tl) and nitrogen (N), have received much research attention. In the present work, the elastic properties of single-walled boron nitride, aluminium nitride, gallium nitride, indium nitride and thallium nitride nanotubes were numerically evaluated using the nanoscale continuum modelling approach (also called molecular structural mechanics). The elastic properties (rigidities, surface Young´s and shear moduli, and Poisson´s ratio) of nitride nanotubes are discussed with respect to the bond length of the corresponding diatomic hexagonal lattice. The results obtained contribute to a better understanding of the mechanical response of nitride compound-based nanotubes, covering a broad range from the well-studied boron nitride NTs to the hypothetical thallium nitride NTs.

Dynamic virtual testing by Hardware in the Loop (HIL) real time simulation systems is common to minimize physical tests to validate and verify control algorithms, logics and software, under normal and emergency conditions. The accurate but costly HIL models setup activities could have an extended use to simulate faulty conditions that are seldom observable in the real system, yet they must be detected in advance and recognized. Data driven diagnostic methods have reached a mature development, in various sectors, proving effective in early detecting slowly varying deviations from nominal patterns of signals, even without a priori knowledge of their nature and behavior. These methods rely on vast amount of data logged from real systems that are ever and ever richer of monitoring telemetries that are worth being exploited. However, due to the usually reliable and safe systems being managed, it is often difficult to collect enough data on anomalous situations to validate fault detection and isolation and limit false positives. HIL model-based simulations allow generating and observing operational domains or transients rarely observed in real operations. This allows identifying the signals that are most correlated to faults and that could be selected to setup data-based diagnostic models of parts or subsystems, which are more suitable than the whole HIL model for online diagnostics, as well as to identify the features and trends that are most symptomatic of anomalous conditions.

This paper is focused on understanding multiscale modelling to obtain a bridge among different time and length scales of simulation techniques. These techniques are vital as it holds the potential to understand and predict the capabilities of polymer nanocomposites (PNCs). However, an appropriate approach in controlling the interfacial interaction between nanoparticle and polymer in nanocomposites structure is still needed to develop. In this review, an initial brief introduction to various trending simulation techniques has been discussed at all three levels of scale (nm, μm, mm). Later, descriptive study on fundamental issues such as thermodynamics, kinetics, mechanical properties, and morphology has been studied deeply. The multiscale modeling bridges the gaps of simulation between the different scales of models from molecular to mesoscale levels working over the broad range of length and timescale. Through the sequential, adaptive, and concurrent approaches, we can develop a system that may comprehend multiscale mode modeling adaptive resolution approach has recently added approach the molecule of the subject can shift their position freely in the domain and through this approach and studied the Brownian motion. Co-The co-current coach is also termed as handshaking path and it is linked aiming at different scale models. Covering the rigid techniques smoothly and linking them at different scales helps in normalizing the statistical behaviour.

Background Nigeria is among the top 5 countries that have the highest gap between people reported as diagnosed and estimated to have developed Tuberculosis (TB). To bridge this gap, there is a need for innovative approaches to identify geographical areas at high risk of TB transmission and targeted Active Case Finding (ACF) interventions. Leveraging community level data together with granular sociodemographic contextual information can unmask local hotspots which could be otherwise missed. This work evaluated if this approach helps to reach communities with higher numbers of undiagnosed TB. Methodology A retrospective analysis of the data generated from an ACF intervention program in 4 south-western states in Nigeria was conducted. Wards (the smallest administrative level in Nigeria) were subdivided into further smaller population clusters. ACF sites and their respective TB screening outputs were mapped to these population clusters. This data was then combined with open-source high resolution contextual data to train a Bayesian inference model. The model predicted TB positivity rates on the community level (population cluster level), and these were visualised on a customised geoportal for use by the local teams to identify communities at high risk of TB transmission and plan ACF interventions. The TB positivity yield (proportion) observed at model-predicted hotspots was compared with the yield obtained at other sites identified based on aggregated notification data. Results The yield in population clusters that were predicted to have high TB positivity rates by the model was at least 1.75 times higher (p-value <0.001) than the yield in other locations in all four states. Conclusion The community level Bayesian predictive model has the potential to guide ACF implementers to high TB positivity areas for finding undiagnosed TB in the communities, thus improving efficiency of interventions.

Agricultural greenhouse is largely answered in the agricultural sphere, despite the shortcomings it has, including overheating during the day and night cooling which sometimes results in the thermal inversion mainly due to its low inertia. The glasshouse dressed chapel is relatively more efficient than the conventional tunnel greenhouse. Its proliferation on the ground is more or less timid because of its relatively high cost[14-22]. Agricultural greenhouse aims to create a favorable microclimate to the requirements of growth and development of culture, from the surrounding weather conditions, produce according to the cropping calendars fruits, vegetables and flower species out of season and widely available along the year. It is defined by its structural and functional architecture, the quality thermal, mechanical and optical of its wall, with its sealing level and the technical and technological accompanying[12-13]. The greenhouse is a very confined environment, where multiple components are exchanged between key stakeholders and them factors are light, temperature and relative humidity[8]. This state of thermal evolution is the level sealing of the cover of its physical characteristics to be transparent to solar, absorbent and reflective of infrared radiation emitted by the enclosure where the solar radiation trapping effect otherwise called "greenhouse effect" and its technical and technological means of air that accompany. The socio-economic analysis of populations in the world leaves appear especially the last two decades of rapid and profound transformations These changes are accompanied by changes in eating habits, mainly characterized by rising consumption spread along the year[14]. To effectively meet this demand, greenhouse-systems have evolved, particularly towards greater control of production conditions (climate, irrigation, ventilation techniques, CO2 supply, etc ...). Technological progress has allowed the development of greenhouses so that they become increasingly sophisticated and of an industrial nature (heating, air conditioning, control, computer, regulation, etc ...). New climate driving techniques have emerged, including the use of control devices from the classic to the use of artificial intelligence[10-11] such as neural networks and / or fuzzy logic, etc... As a result, the greenhouse growers prefer these new technologies while optimizing the investment in the field to effectively meet the supply and demand of these fresh products cheaply and widely available throughout the year.

The emerging industry of offshore wind turbines mounted on floating bases has garnered significant attention from both academia and industry. The desire to understand the complex physics of these floating structures has led to the development of numerical and physical modelling techniques. While physical testing has traditionally been employed, there is a growing focus on cost-effective and accurate high-fidelity numerical modelling as a potential alternative or supplement. However, commonly used numerical engineering tools in the offshore industry are considered mid- to low-fidelity and may lack the desired precision for floating offshore wind turbines (FOWTs). Given the complexity of these simulation codes, it is crucial to validate their accuracy. To address this, the International Energy Agency (IEA) Wind Technology Collaboration Programme initiated various research endeavors, including the Offshore Code Comparison Collaboration (OC3), Offshore Code Comparison Collaboration Continuation (OC4), Offshore Code Comparison Collaboration Continuation with Correlation (OC5), and the recent Offshore Code Comparison Collaboration Continued with Correlation and Uncertainty (OC6) projects. This study offers a comprehensive survey of the simulation tools available for FOWTs which were part of OC projects, focusing particularly on horizontal axis wind turbines (HAWTs) and highlighting their capabilities and fundamental theories.

In this study, Acısu Basin, which is upper side of one of the most important basins (Gediz) in Türkiye, was modelled using three types of hydrological models and three different calibration algorithms. Lumped (GR4J), semi-distributed (SWAT+), and fully distributed (mHM) hydrological models were built and integrated with Parameter Estimation Tool (PEST) which is a model independent calibration tool including various algorithms. Levenberg Marquardt (L-M), Shuffled Complex Evolution (SCE), and Covariance Matrix Adoption Evolution Strategy (CMA-ES) were selected as calibration algorithms. Calibration period was 1991-2000, and validation results were obtained for 2002-2005. The effect of model structure and calibration algorithm selection on discharge simulation was evaluated via comparison of 9 different model-algorithm combinations. Results have shown that mHM and CMA-ES combination showed the best discharge simulation performance according to NSE values (calibration: 0.67, validation: 0.60). Although statistically the model results were classified as acceptable, the pattern comparison of discharge value shows that all of the models miss the peak values in significant amounts. This problem may be related to the interventions made in 2000-2001 years interval and possible to overcome by changing the calibration and validation periods, increasing the number of iterations or using the naturalized gauge data.

Biological control is widely successful for controlling pests, but effective biocontrol agents are now more difficult to obtain due to more restrictive international trade laws. Coupled with increasing demand, the efficacy of existing and new biocontrol agents needs to be improved with genetic and genomic approaches. Although they have been underutilised in the past, applying genetic and genomic techniques is becoming more feasible from both technological and economic perspectives. We review current methods and provide a framework for using them, incorporating evolutionary and ecological principles. First, it is necessary to identify which biocontrol trait to select and in what direction. Next, the genes or markers linked to these traits need be determined to better target their selection, followed by how to implement this information into a breeding program. Choosing a trait can be assisted by modelling to account for the proper agro-ecological context, and by knowing which traits have sufficiently high heritability values. We provide guidelines for designing genomic strategies in biocontrol programs, which depends on the organism, budget, and desired objective. Genomic approaches start with genome sequencing and assembly. We provide a guide for deciding the most successful sequencing strategy for biocontrol agents. Gene discovery involves quantitative trait loci (QTL) analyses, transcriptomic and proteomic studies, and gene editing. Improving biocontrol practices include marker-assisted selection, genomic selection and microbiome manipulation of biocontrol agents, and monitoring for genetic variation during rearing and post-release. We conclude by identifying the most promising applications of genetic and genomic methods to improve biological control efficacy.

Process simulation represents an important tool for plant design and optimisation, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behaviour of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimisation. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and calculate thermodynamic and kinetic parameters. Different case histories support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g. ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene.

Biomass as a whole offers a more diverse potential for valorisation than any other renew-able energy source. As one of the stages in the separation of bio-oil involves the liquid mixture of acetol and acetic acid, and as both components are particularly well suited for valorisation, a hybrid method has been developed for their separation with a high purity level through an approach combining liquid-liquid extraction and rectification. In order to design and simulate the flowsheet, the ChemCAD 7.0 simulation software has been used. Sensitive analyses have been carried out to investigate the influence of the different pa-rameters in the rectification columns such as the reflux ratio, the feed stage location, and the vapour/bottom molar flow ratio. The effect of different extractants and of their excess on the separation process as well as the possibility of regenerating the extractant has also been studied. Tri-n-octylamine has accordingly been selected as a separating agent which has been fully recycled. The end result for separating an initial 48/52 wt% ace-tol/acetic-acid liquid mixture has been acetol with a purity of 99.4 wt% and acetic acid with a purity of 100 wt%.

This paper presents a parametric study of the multistorey hydro-powered pump, known as "Bunyip," which has demonstrated significant potential in contributing to rural regions. The study aims to understand the underlying physics of the system and enhance its hydraulic performance. A transient three-dimensional model using the commercial Computational Fluid Dynamics (CFD) tool Ansys-Fluent is utilized to gain insights into the fundamental flow mechanics, operational efficiency, standard capacity, and relative delivery. The investigation involves an initial assessment of performance for three Bunyip devices based on manufacturing data. Parametric analysis is conducted, and a parametric dataset is generated through meticulous application and numerical modelling. The CFD results are validated against experimental data. Three design configurations are considered, and 58 sets of varied input parameters are examined. The best design configuration is evaluated against five cases of conventional hydro-power pump systems. The results indicate that a smaller diameter of the pressure chamber and a higher supply head lead to higher pressure, achieving a target head of 3 m with 15% efficiency and a flowrate of 11.82 l/min.

Among the many Lysosomal Storage Disorders (LSDs) that would benefit from the establish-ment of novel cell models, either patient-derived or genetically engineered, is Mucopolysaccha-ridosis type II (MPS II). In fact, even though a specific therapeutic approach does exist for this disorder (Enzyme Replacement Therapy, ERT, with recombinant human IDS) and haematopoiet-ic stem cell transplantation (HSCT) may also hold promise whenever the disorder is diagnosed soon enough, both approaches have their own drawbacks. Here we present our results on the establishment and characterization of two MPS II pa-tient-derived stem cell line(s) from deciduous baby teeth. To the best of our knowledge, this is the first time a stem cell population is isolated from LSD patient samples obtained from the oral cavity. Taking into account our results on the molecular and biochemical characterization of those cells and our first insights on their subcellular MPS phenotype, we consider these cells will be a valuable tool for both pathophysiological assessments and drugs screenings. Ultimately, we believe patient-derived dental pulp stem cells (DPSC) may represent a feasible alternative to induced pluripotent stem cells (iPSC) in many labs with standard cell culture con-ditions and limited (human and economic) resources.

A novel educational platform called Shared Modeling and Simulation Environment (SMSE) was initiated in the ERASMUS+ “CybPhys” project. It integrates the Jupyter platform, including Ju-pyter Notebooks, for e-learning in the STEM field. A novel platform enhances e-learning by combining Moodle with Jupyter's capabilities to create virtual labs. A survey was conducted in the spring of 2023 among bachelor and master students of Chernihiv National Polytechnic Uni-versity aimed to gather feedback from students using SMSE in their e-learning process. Two student groups were involved: one of them consisted of students using SMSE in both the autumn and spring semesters and another represented the students starting with SMSE in the spring se-mester. The survey based on the adjusted Technology Acceptance Model (TAM) was conducted to understand the acceptance of this e-learning approach. A comprehensive analysis of students’ answers based on the TAM approach revealed the inside of the process of transformation of stu-dents’ perceptions during the acquisition of the SMSE platform. Our research demonstrates that SMSE effectively merges Moodle's online learning capabilities with Jupyter notebooks, provid-ing a flexible and interactive learning experience for both in-class and remote students. It pro-vides a web-based, multifunctional e-learning environment that combines a variety of tools and technologies, giving students the possibility to be involved in all sorts of teaching activities, such as lectures, exercises, simulations, etc., through the use of one single online environment.

Increasingly, there is a focus on utilising renewable energy resources in a bid to fulfil increasing energy requirements and mitigate the climate change impacts of fossil fuels. While most renewable resources are free, the technology used to usefully convert such resources is not and there is an increasing focus on improving the conversion economy and efficiency. To this end, advanced control technologies can have a significant impact and is already a relatively mature technology for wind turbines. Though hydroelectric plants can use simple regulation systems, significant benefits have been shown to accrue from the appropriate use of the same control methods designed for wind turbine plants. This represents the key point of the paper. In fact, to date, the application communities connected with wind and hydraulic energies have had little communication, resulting in little cross fertilisation of control ideas and experience, particularly from the more mature wind area to hydrodynamic systems. Therefore, this paper examines the models and the application of control technology across both domains, both from a comparative and contrasting point of view, with the aim of identifying commonalities in models and control objectives, as well as potential solutions. Key comparative reference points include the articulation of the exployed models, specification of control objectives, development of high--fidelity simulators, and development of solution concepts. Not least, in terms of realistic system requirements are the set of physical and constraints under which such renewable energy systems must operate, and the need to provide reliable and robust control solutions, which respect the often remote and relatively inaccessible location of many onshore and offshore deployments.

Road vehicles are a large contributor to Nitrogen Oxides (NOx) pollution. The routine road-side monitoring stations, however, may underrepresent the severity of personal exposure in urban areas, because long-term average readings cannot capture the effects of momentary, high peaks of air pollution. While numerical modelling tools historically have been used to propose an improved distribution of monitoring stations, ultra-high resolution Computational Fluid Dynamics models can further assist the relevant stakeholders in understanding the important details of pollutant dispersion and exposure at local level. This study deploys a 10 cm-resolution CFD model to evaluate actual high peaks of personal exposure to NOx from traffic, by tracking the gases emitted from the tailpipe of moving vehicles being dispersed towards the roadside. The investigation shows that a set of four Euro 5-rated diesel vehicles travelling at constant speed may generate momentary road-side concentrations of NOx as high as 1.25 mg/m3, with 25% expected increase for doubling the number of vehicles and approximately 50% reduction when considering Euro 6-rated vehicles. The paper demonstrates how the numerical tool can be used to identify the impact of measures to reduce personal exposure, such as protective urban furniture, as traffic patterns and environmental conditions change.

Solid oxide cells are capable of efficiently converting various chemical energy carriers to electricity and vice versa. The urgent challenge nowadays is the faster degradation rate compared with other fuel cell/electrolyzer technologies. To understand the degradation mechanisms, simulation of a solid oxide cell is helpful. Since most previous research developed models using commercial software, such as COMSOL and ANSYS Fluent, a gap for knowledge transfer is being gradually formed between academia and industry due to licensing issues. This paper introduces a multiphysics model, developed by a computational code, openFuelCell2. The code is implemented with an open-source library, OpenFOAM. It accounts for momentum transfer, mass transfer, electrochemical reactions and metal interconnect oxidation. The model can precisely predict I-V curves under different temperatures, fuel humidity and operation modes. Comparison between OpenFOAM and COMSOL simulations shows good agreement. The metal interconnect oxidation is modelled, which can predict the thickness of the oxide scale under different protective coatings. Simulations are conducted by assuming an ultra-thin film resistance on the rib surface. It is revealed that coatings fabricated by atmospheric plasma spraying can efficiently prevent metal interconnect oxidation, with a contribution of only 0.53 \% to the total degradation rate.

A method for solving the turbulence equations embedded in the sigma ocean general ocean circulation model is proposed. Like the general circulation model, the turbulence equations are solved using the splitting method by physical processes. The turbulence equations are split into two main stages describing transport-diffusion and generation-dissipation processes. Parameterization of turbulence in the framework of equations allows, at the generation-dissipation stage, to use both numerical and analytical solutions and to ensure high efficiency of the algorithm. The results of large-scale ocean dynamics simulation taking into account the parameterization of vertical turbulent exchange are considered. Numerical experiments were carried out using k-omega turbulence model embedded to the Institute of Numerical Mathematics Ocean general circulation Model (INMOM). Both the circulation and turbulence models are solved using the splitting method with respect to physical processes. The coupled model is used to simulate the hydrophysical fields of the North Atlantic and Arctic Oceans for 1948--2009. The model has a horizontal resolution of 0.25 degree and 40 sigma-levels along the vertical. The sensitivity of the solution to the changes in mixing parameterization is studied. Experiments demonstrate that taking into account the climatic annual mean buoyancy frequency improves the reproduction of large-scale ocean characteristics. There is a positive effect of Prandtl number variations for reproducing the upper mixed layer depth. The experiments also demonstrate the computational effectiveness of the proposed approach in solving the turbulence equations.

It was recently demonstrated that a co-planar capacitive sensor could be applied to the evaluation of materials without the disadvantages associated with the other techniques. This technique effectively detects changes in the dielectric properties of the materials due to, for instance, imperfections or variations in the internal structure, by moving a set of simple electrodes on the surface of the specimen. An AC voltage is applied to one or more electrodes and signals are detected by others. This is a promising inspection method for imaging the interior structure of the numerous materials, without the necessity to be in contact with the surface of the sample. In this paper, Finite Element (FE) modelling was employed to simulate the electric field distribution from a co-planar capacitive sensor and the way it interacts with a non-conducting sample. Physical experiments with a prototype capacitive sensor were also performed on a Plexiglas sample with sub-surface defects, to assess the imaging performance of the sensor. A good qualitative agreement was observed between the numerical simulation and experimental result.

The paper presents the design and the implementation of different advanced control strategies that are applied to a nonlinear model of a thermal unit. A data–driven grey–box identification approach provided the physically meaningful nonlinear continuous–time model, which represents the benchmark exploited in this work. The control problem of this thermal unit is important since it constitutes the key element of passive air conditioning systems. The advanced control schemes analysed in this paper are used to regulate the outflow air temperature of the thermal unit by exploiting the inflow air speed, whilst the inflow air temperature is considered as an external disturbance. The reliability and robustness issues of the suggested control methodologies are verified with a Monte–Carlo analysis for simulating modelling uncertainty, disturbance and measurement errors. The achieved results serve to demonstrate the effectiveness and the viable application the suggested control solutions to air conditioning systems. The benchmark model represents one of the key issues of this study, which is exploited for benchmarking different model–based and data–driven advanced control methodologies through extensive simulations. Moreover, this work highlights the main features of the proposed control schemes, while providing practitioners and heating, ventilating and air conditioning engineers with tools to design robust control strategies for air conditioning systems.

Background: The main objective of this study is to develop a customized metatarsophalangeal implant for the treatment of various conditions affecting this specific joint. This approach involves replacing the joint with a custom implant designed specifically to fit each patient's unique anatomical structure. The need for custom implants stems from the obvious lack of size variety available, which presents a major challenge when, the search for the ideal size implant can be a hard task, also when considering the possibility of extensive modification of the bone to adapt it to the available implant. This adaptation, often synonymous with bone reduction, can cause significant post-operative pain for the patient and impact healing time. Methods: A comparative study of modeling software was carried out to select the perfect software, by defining and comparing the relevant criteria. Similarly, the different biomaterial options were examined and compared to select the one best suited to this project, mentioning the imaging modality used to determine the types of images used for our approach. Finally, the 3D printers used in this work were represented, highlighting their technical characteristics. Findings: A resin metatarsophalangeal implant prototype was created using 3D modeling and reconstruction software and tools. Interpretation: Reconstruction and 3D modeling techniques are revolutionizing implant creation, offering customized solutions for patients suffering from metatarsophalangeal joint disorders caused by a wide range of diseases. These results have significant implications for disability management and rehabilitation, encouraging further exploration and progress.

Human African Trypanosomiasis (HAT) commonly known as sleeping sickness, is a neglected tropical vector borne disease caused by trypanosome protozoa. It is transmitted by bites of infected tsetse fly. In this paper we first present the vector-host model which describes the general transmission dynamics of HAT. In the tsetse fly population, the HAT is modelled by three compartments while in the human population, the HAT is modelled by four compartments. The next generation matrix approach is used to derive the basic reproduction number, R₀, and also it is proved that if R₀ ≤ 1 the disease free equilibrium is globally asymptotically stable, which means the disease dies out. The disease persist in the population if the value of R₀ > 1. Furthermore, the optimal control model is determined by using the Pontryagin’s maximum principle with control measures such as education, treatment and insecticides used to optimize the objective function. The model simulations confirm that the use of the three control measures are very efficient and effective to eliminate HAT in Africa.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. However, a zero-power reactor experiment will be an essential first step into the process of delivering this technology. The topic of the control and shut down for a zero power reactor is for the first time introduced through a literature review and the reduction of the control approaches to a limited number of basic functions with different variations. In the following, the requirements for the control and shutdown system for a reactor experiment are formulated, and based on these assessments, an approach for the shutdown – splitting the lower part of the core with reflector, and an approach for the control – a vertically movable radial reflector are proposed. Both systems will be usable for a zero-power system with a liquid as well as with as a solid core and even more importantly, both systems somehow work on the integral system level without disturbing the central part of the core which will be the essential area for the experimental measurements. Both approaches have been investigated as a singular system as well as their interactions with one another and the sensitivity of the control system. The study has demonstrated that both proposed systems are able to deliver the required characteristics with sufficient shutdown margin and a sufficiently wide control span. The interaction of the system has been shown to be manageable and the sensitivity is on a very good level. The multi-group Monte-Carlo approach has been cross evaluated by a continuous energy test leading to good results, but they also demonstrate that there is room for improvement.

The presented work is aimed at studying the gas transport characteristics of polymeric hollow-fibre gas separation membranes. Such materials as: polysulfone (PSF), polyphenylene oxide (PFO), polyetherimide (PEI), polyetherimide with polyimide (PEI+PI) were studied on the example of air mixture separation. The values of the permeances of pure gases O2 and N2 and the mixed permeances of oxygen and nitrogen during air separation were obtained. Mathematical models of the gas separation process built on the basis of these values show significant discrepancies. To obtain a gas mixture with 95 mol.% nitrogen from air, taking into account the mixture permeance, 15.8% more PSF membrane area is required than taking into account the permeance of pure gases. For a PPO membrane this value is 13.9%, for PEI 19.8% less area is required, and for PEI+PI 15.9% less. In the design of industrial or semi-industrial membrane installations, such discrepancies can lead to significant errors, including technical and economic ones.

This paper develops feasible control strategies and associated system responses to bring an autonomous front-axle bicycle robot from specified initial conditions to final conditions such that a specific performance index is minimized. To solve the problem, the following approach is used: The feasible controls derived from the normal equations of optimality are substituted into the state and the costate systems and form a combined control-free state-costate system which is vectorized to enable and ease the application of a numerical method. A computer program written in Matlab computer programming language, codes a fourth-order Runge-Kutta numerical method and then solve the combined state-costate system of ordinary differential equations. The obtained results are the feasible bicycle robot trajectory, the feasible state functions, the feasible costate functions and the feasible control functions. Associated Computational Simulations are designed and provided to persuade on the effectiveness and the reliability of the approach.

The use of the commercial simulator Aspen Plus® could bring an amelioration in the accuracy of the predictions of the chemical species composition in the output streams of the anaerobic digestion process, due to availability of a broad library of thermodynamic and phenomena transport properties in this commercial package. In the present investigation, the process simulation model for anaerobic digestion, which was originally developed by Rajendran et al. [1], has been modified by including a stoichiometric-equilibria reactor to calculate the extent of the ionization of the molecules present in the anaerobic digestate. The refined model offers a more accurate prediction of the composition of the biogas because it delves on the chemical equilibrium of the gaseous stream and the anaerobic digestate. Additionally, the refined model allows to assess the possibility of upgrading the gaseous stream to biomethane degree via manufacturing of ammonium bicarbonate. This processing pathway relies on the stabilization of the anaerobic digestate by means of biomass ash-based treatment. First of all, the titration of the manure digestate with the hydrochloric acid showed that a dose of 3.18 mEq/g would be required to attain the targeted pH of zero-point charge, upon addition of the sewage sludge ash in a ratio to the manure digestate of 0.6 ± 0.2 %. Secondly, the profiles of ammonia, carbon dioxide, and methane found in the biogas agree with both the pH of the treated digestate and the processes described in for the simultaneously upgrading the biogas and the production of ammonium bicarbonate. The refined Aspen Plus® model presented in this article needs to be further developed to ensure the standards are attained in all output streams of stabilized anaerobic digestate, biomethane, and isolated added-value chemical fertilizers.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. However, a zero-power reactor experiment will be an essential first step into the process delivering this technology. The choice of the optimal reflector material is one of the key issues for such experiments since on the one hand it offers huge cost saving potential due to reduced fuel demand, on the other hand an improper choice of the reflector material can have negative effects on the quality of the experiments. The choice of the reflector material is for the first time introduced through a literature review and a discussion of potential roles of the reflector. The 2D study of different potential reflector materials has delivered a first down selection with SS 304 as representative for stainless steel, lead, copper, graphite, and beryllium oxide. A deeper look identified in addition iron-based material with high Si content. The following evaluation of the power distribution has shown the strong influence of the moderating reflectors creating a massively disturbed power distribution with a peak at the core boundary. This effect has been confirmed through a deeper analysis of the 2D multi-group flux distribution which lead to the exclusion of the BeO and the graphite reflector. The most promising materials identified have been SS 304, lead, and copper. The final 3D Monte-Carlo study demonstrated that all three materials have the potential to reduce the required amount of fuel by up to 60% compared NaCl which has been used in previous studies and is now taken as reference A first cost analysis has identified the SS 304 reflector as the most attractive solution. The results of the 2D multi group deterministic study and the 3D multi group Monte-Carlo study have been confirmed through a continuous energy Monte-Carlo reference calculation showing only minor differences.

The 1884 Andalusia Earthquake, with an estimated Magnitude between 6.2 and 6.7, is one of the most destructive events that shook the Iberian Peninsula, causing around 1200 casualties. Ac-cording to paleoseismology studies and intensity maps, the earthquake source relates to the nor-mal Ventas de Zafarraya Fault (Granada, Spain). Diverse studies registered and later analyzed hydrological effects, such as landslides, rockfalls, soil liquefaction, all-around surge and loss of springs, alterations in the phreatic level, discharge in springs and brooks, and well levels, along with changes in water properties. Further insight into these phenomena found an interplay be-tween hydro-geomechanical processes and crust surface deformations, conditions, and properties. This study focuses on analyzing and simulating the features involved in the major 1884 event and aims at elucidating the mechanisms concerning the mentioned effects. This ex-post analysis builds on the qualitative effects and visible alterations registered by historical studies. It encompasses conceptual geological and kinematic models, and a 2D finite element simulation to account for the processes undergone by the Zafarraya Fault. The study focuses on the variability of hy-dro-geomechanical features and the time evolution of the ground pore-pressure distribution in both the preseismic and coseismic stages, matching some of the shreds of evidence found by field studies. This methodology can be applied to other events registered in the National Catalogues of Earth-quakes to achieve a deeper insight, further knowledge, and a better understanding of past earth-quakes.

An adequate representation of the water infiltration process in the soil allows improving the efficiency in application and the uniformity in surface irrigation. The Green and Ampt model has shown a good representation of the process, and researchers from the United States Department of Agriculture (USDA) determined the values of their parameters for soils of that country, which are shown in tables or through functional relationships and this information is used as reference in several parts of the world, although there is no certainty that they are representative of the soils in Mexico. In this study, the parameters of the Green & Ampt equation were determined and evaluated in some soils of agricultural importance in Mexico. The parameters were obtained in four ways: one of them applied a methodology adapted from Brooks and Corey to quantify the wetting front capillary pressure head and used an permeameter under constant hydraulic head to determine the saturated hydraulic conductivity, and the other three consisted in taking them from three studies reported by the USDA. The values of the parameters suggested in Mexico drastically underestimated the results with relative errors (RE) in a range of -49.0 to -94.0% and the most representative were those obtained with the methodology proposed in this research with RE of -15.0 to 6.0%.

Keywords: Amorphous-precipitate, Nitride, Morphological stability, Diffusion, Internal stresses, Modelling, Simulation

The proximal part of the colon offers opportunities to prolong the absorption window following oral administration of a drug. In this work, we used computer simulations to understand how the hydrodynamics in the proximal colon might affect the release from dosage forms designed to target the colon. For this purpose, we developed and compared three different models: a completely-filled colon, a partially-filled colon and a partially-filled colon with a gaseous phase present (gas-liquid model).The highest velocities of the liquid were found in the completely-filled model, which also shows the best mixing profile, defined by the distribution of tracking particles over time. No significant differences with regard to the mixing and velocity profiles were found between the partially-filled model and the gas-liquid model. The fastest transit time of an undissolved tablet was found in the completely-filled model. The velocities of the liquid in the gas-liquid model are slightly higher along the colon than in the partially-filled model. The filling level has an impact on the exsisting shear forces and shear rates, which are decisive factors in the development of new drugs and formulations.

Cities are especially vulnerable to heavy rainfall events and the associated flooding. Urban drainage systems are not dimensioned to handle extreme heavy rainfall events, there is a need to enhance the resilience of those systems. Nature-based solutions (NBS) have the potential to retrofit existing urban drainage systems by providing, among other benefits, storage volume. This study presents an approach for including NBS with different degrees of implementation in a 1D/2D model and investigates their potential for flood mitigation in a study area in Berlin. The analyzed NBS are infiltration systems (e.g. infiltration swales) dimensioned to return periods of T = 5 and 100 years, various green roofs and tree locations (e.g. tree trenches). The NBS are represented by SWMM LID elements. The results show that overall the mitigation effect of NBS declines with increasing rainfall intensities. However, infiltration systems dimensioned to T = 100 years achieve almost three times the flood reduction compared to systems dimensioned to T = 5 years, even during extreme heavy rainfall events (100 mm), resulting in a reduced total flood volume of 15.1% to 25.8%. Overall, green roofs (excluding extensive green roofs) provide the greatest flood reduction (33.5%), while tree locations have the least effect.

System-of-systems (SoS) approach is often used for simulating disruptions to business and infrastructure system networks allowing for integration of several models into one simulation. However, the integration is frequently challenging as each system is designed individually with different characteristics, such as time granularity. Understanding the impact of time granularity on propagation of disruptions between businesses and infrastructure systems and finding the appropriate granularity for the SoS simulation remain as major challenges. To tackle these, we explore how time granularity, recovery time, and disruption size affect the propagation of disruptions between constituent systems of an SoS simulation. To address this issue, we developed a High Level Architecture (HLA) simulation of 3 networks and performed a series of simulation experiments. Our results revealed that time granularity and especially recovery time have huge impact on propagation of disruptions. Consequently, we developed a model for selecting an appropriate time granularity for an SoS simulation based on expected recovery time. Our simulation experiments show that time granularity should be less than 1.13 of expected recovery time. We identified some areas for future research centered around extending the experimental factors space.

Predictive numerical models in the study of ground-borne vibrations generated by railway sys-tems have traditionally relied on the segmented approach of subsystems. In this approach, loads are individually applied, and the cumulative effect of rolling stock is obtained through superposi-tion. While this method serves to mitigate computational costs, it may not fully capture the com-plex interactions involved in ground-borne vibrations. Recent advancements in computational and software tools have enabled the development of more sophisticated vibrational pollution models. These advanced models encompass the entire dynamic system, from the rolling stock to the terrain, allowing for continuous simulations with a defined time step. Furthermore, the incorporation of computational contact tools between various ele-ments not only ensures temporal accuracy but also extends the analysis to the frequency domain. This paper explores the evolution of predictive numerical models in the context of ground-borne vibrations generated by trains on ballasted tracks. It highlights the shift from segmented models to continuous simulations, demonstrating the progressive advancement towards more comprehen-sive and accurate representations of railway-induced and generated vibrations in the track sur-roundings as an additional way of evaluate sustainability of infrastructures. In particular, this development of a numerical model from its inception aimed to expand upon ex-isting emission - prediction models by enriching the data with frequency-domain information. This approach has been driven by the aspiration to bridge the gap between numerical predictions and measured signals, striving for a higher level of accuracy in our obtained results. This model can predict the impact of a high-speed rail (HSR) vehicle passing on its own track. It possesses sufficient information in both the time and frequency domains to precisely characterize vibrations. This initiative marks a pivotal advancement, enabling us to more effectively capture the intricacies of ground-borne vibrations and their impact on the surrounding environment due to a deeper comprehension of the occurrences in the frequency domain, there's a heightened ca-pability to accurately characterize vibrations.

The ongoing COVID-19 pandemic has raised numerous questions concerning the shape and range of state interventions whose goals are to reduce the number of infections and deaths. The lockdowns, which have become the most popular response worldwide, are assessed as being an outdated and economically inefficient way to fight the disease. However, in the absence of efficient cures and vaccines, there is a lack of viable alternatives. In this paper we assess the economic consequences of the epidemic prevention and control schemes that were introduced in order to respond to the COVID-19 pandemic. The analyses report the results of epidemic simulations that were obtained using the agent-based modelling methods under the different response schemes and their use in order to provide conditional forecasts of the standard economic variables. The forecasts were obtained using the DSGE model with the labour market component.

The world of query-response systems heavily depends on the cloud storage solutions, distributed data transfers and locality of users etc. When data stores and users are distributed geographically, it is essential to organize distributed data cache points at ideal locations to minimize data transfers. This leads to the question, what data to cache in which location. To answer this, we are developing an adaptive distributed data caching framework that can identify suitable data chunks to cache and move across a network of community cache locations. This paper details the first step of the process: the sub-query fragmentation technique to fragment data into portable objects. Evaluation suggests that sub-query fragments enable distributed learning methods to understand query patterns and association between sub-queries. The sub-query objects can be modelled easily as input dataset to implement machine learning models to assist cache maintenance.

Hybrid forecasting methods have emerged as a solution surpassing the limitations of both statistical and deep learning approaches. While the first emphasize the significance of variables, they often produce worse forecasting results when compared to newer techniques. In contrast, deep learning models remain enigmatic "black boxes" in terms of interpretability, although achieving better results in forecasting. This article introduces the Comprehensive Cross-Correlation and Lagged Linear Regression Deep Learning (CCLR-DL) framework, designed to harness the best of both approaches, enhancing forecasting accuracy while retaining model interpretability through a feature selection process. CCLR-DL blens cross-correlation analysis, lagged multiple linear regression and granger's causality procedures with deep learning architectures based on LSTM. In a practical demonstration, CCLR-DL was applied to a real database of clinical visits associated to diagnoses in Catalonia, Spain (tracking a population of 6.3 million patients during 10 years). Predicting visits enables the healthcare managers to be ready for future demand shifts. Results demonstrate a consistent and substantial improvement over standalone statistical and deep learning methods when predicting healthcare demand. This hybrid approach not only showcases its efficacy but also offers a promising solution to the challenge of balancing predictive accuracy with model explicability. In this context, this work aims to design and validate a method for feature selection and forecasting of multivariate high dimensional time series datasets not only to improve prediction accuracy but also to model transparency by identifying a subset of variables that improve predictions and G-cause the target variable.

In this paper, the integrated performance of a modular biomass boiler with an existing industrial Rankine steam heat and power cycle and a supplementary supercritical-CO2 (sCO2) Brayton cycle is analyzed. The aim is to leverage the high efficiency supplementary sCO2 cycle to increase net generation and energy efficiency from the existing biomass boiler. Two sCO2 heater configurations situated within the flue gas flow path are investigated, namely a single convective-dominant heater, and a dual heater configuration with a radiative and a convective heater. A quasi-steady-state 1D model was developed to simulate the integrated cycle, including detailed component characteristics for the Rankine and Brayton cycles. The model solves the mass, energy, momentum, and species balance equations. The system is analyzed for three cases: (i) the existing Rankine cycle without the sCO2 integration, (ii) with the single convective-dominant sCO2 heater configuration, and (iii) the dual sCO2 heater configuration. The results show the required rate of overfiring for the sCO2 configurations, with a 15.3% increase in fuel flowrate resulting in an additional 21.2% in net power output. The model quantifies the impact of the sCO2 heaters, with reduced heat uptakes for downstream boiler heat exchangers. Furnace water wall heat uptake increased due to overfiring, offsetting the reduced heat uptakes at downstream evaporative heat exchangers. The dual configuration has more impact on Rankine cycle operation due to the radiative sCO2 heater placement in front of the second superheater, absorbing some of the direct radiation from the furnace.

The paper deals with the Model Predictive Control (MPC) algorithm as applied to the sensorless control of a Permanent Magnet Synchronous Motor (PMSM). The proposed estimation strategy, based on the unscented Kalman filter (UKF), uses only the measurement of the motor current for the online estimation of speed, rotor position and load torque. Information about the system state feeds the MPC. Results verify the effectiveness and applicability of the proposed sensorless control technique. An implementation in low speed direct drive astronomy telescope mount systems is investigated.

We performed a global analysis with data from 149 countries to test whether temperature can explain the spatial variability of the spread rate and mortality of COVID-19 at the global scale. We performed partial correlation analysis and linear mixed effect modelling to evaluate the association of the spread rate and motility of COVID-19 with maximum, minimum, average temperatures and temperature extreme (difference between maximum and minimum temperature) and other environmental and socioeconomic parameters. After controlling the effect of the duration after the first positive case, partial correlation analysis revealed that temperature was not related with the spatial variability of the spread rate of COVID-19. Mortality was negatively related with temperature in the countries with high-income economies. In contrast, temperature extreme was significantly and positively correlated with mortality in the low-and middle-income countries. Taking the country heterogeneity into account, mixed effect modelling revealed that inclusion of temperature as a fixed effect in the model significantly improved model skill predicting mortality in the low-and middle-income countries. Our analysis suggest that warm climate may reduce the mortality rate in high-income economies but in low and middle-income countries temperature extreme may increase the mortality risk.

Reservoirs created by damming rivers significantly modify the environment and problems may arise: the storage of nutrients and organic matter in reservoirs often leads to decreased water quality due to eutrophication. Reservoirs built on lowland rivers are exposed to significant nutrient loads, often leading to eutrophication. In this article, the Sulejów Reservoir, in Central Poland, was the subject of the research, which focused on the use of Sentinel-2 remote sensing data to detect phytoplankton blooms, and on understanding the pattern of wind-driven surface currents using the CCHE2D model (a depth-averaged hydrodynamic model). The calculation of the total phosphorus load has shown that the reservoir mainly acts as nutrient storage. Still, during the low flow and intensive phytoplankton bloom, it can be a source of nutrients. The distribution of phytoplankton bloom on the Sulejów Reservoir was documented using eight Sentinel-2 satellite images from the vegetation season of 2020 and the Normalized Difference Chlorophyll Index (NDCl). Coupling remote sensing data and numerical modelling helps to interpret the hydrodynamic model results and understand nutrients and sediment dynamics within the reservoir. Hydrodynamic modelling combined with remote sensing data can be a valuable tool for selecting appropriate locations for water quality measurements at monitoring stations.

This paper concerns about a stepwise modelling procedure for groundwater flow simulation in a complex carbonate, folded and faulted, multilayer aquifer, in the Apennine chain in Central Ita-ly, which constitutes a source of good quality water for human consumption. A perennial river acts as the main natural drain for groundwater while sustaining valuable water related ecosys-tems. The spatial distribution of recharge was estimated using the Thornthwaite-Mather method on 60 years of climate data. The system was conceptualized as three main aquifers separated by two locally discontinuous aquitards. Three numerical models were implemented by gradually adding complexity to the model grid: single layer (2D), three layers (Quasi-3D), and five layers (Fully-3D), using an equivalent porous medium approach, in order to find the best solution with a parsimonious model setting. To overcome dry-cell problems in the Fully-3D model, the New-ton-Raphson formulation for MODFLOW-2005 was invoked. Calibration results show that a Fully-3D model was required to match the observed distribution of aquifer outflow to the river baseflow. The numerical model demonstrated the major impact of folded and faulted geological structures on controlling the flow dynamics in terms of flow direction, water heads and spatial distribution of the outflows to the river and springs.

This paper reviews how dynamically adaptive wavelet methods can be designed to simulate atmosphere and ocean dynamics in both flat and spherical geometries. We highlight the special features that these models must have in order to be valid for climate modelling applications. These include exact mass conservation and various mimetic properties that ensure the solutions remain physically realistic, even in the under-resolved conditions typical of climate models. Particular attention is paid to the implementation of complex topography in adaptive models. Using \textsc{wavetrisk} as an example, we explain in detail how to build a semi-realistic global atmosphere or ocean model of interest to the geophysical community. We end with a discussion of the challenges that remain to developing a realistic dynamically adaptive atmosphere or ocean climate models. These include scale-aware subgrid scale parameterizations of physical processes, such as clouds. Although we focus on adaptive wavelet methods, many of the topics we discuss are relevant for adaptive mesh refinement (AMR).

Geotechnical investigation is an important site characterization process in engineering construction. Excavation pits and boreholes are popular geotechnical investigation methods for accessing subsurface soil and rock characteristics. Although they are accurate, they are limited to the discrete locations where tests are carried out. The demand for 3D representation has been increasing as an alternative for improved visualization of geotechnical investigations. This study developed a procedure for 3D modelling of geotechnical investigations using open-source software. It improves 3D visualization of geotechnical investigations and characterization of accuracy and uncertainty assessment. Presently, most geotechnical investigations do not regularly report uncertainty assessment despite its importance in risk analysis of the investigations. The procedure developed in this study was tested in a proposed site for construction of an Inland Container Depot where it depicted geotechnical soil properties with more than 80% accuracy on holdout samples. It was able to model both horizontal and vertical variations of the soil properties with quantification of uncertainty. More testing and wide applications are recommended.

We are witnessing a progressive divestment of some institutions with strong traditions and skills in physical modelling and their consequent impoverishment, to the detriment of numerical modelling. For many reasons, the economic imperatives and the exponential growth of computational means and numerical methods should certainly not be excluded. In this work, we aimed to highlight the new requirements of the recent sophisticated developments in physical modelling, precisely due to the new needs imposed on them by mathematical and numerical modelling and the growing risks in civil construction works. In this context, reflections are reported, justified by scientific and real-world examples, on the need for maintenance and reinforcement of investments in physical modelling, both to support the scientific community and to design buildings of significant economic, social and environmental impact.

Due to the continued deepening of today’s mining projects, there is a need to develop new or improved rockbolts that are strong and yielding and have high energy absorption when exposed to dynamic loading. Impact tests can provide useful information about the dynamic response of rockbolts but most laboratory tests involve high costs in preparation and result validation. Numerical modeling is an alternative that, in addition to complementing laboratory results, can be used to represent the process of deformation and energy absorption of support elements. In this paper the implementation and results obtained from a finite difference (FDM) numerical model are presented. The model functions as a simulation tool to illuminate all the elements that conform the large-scale (1:1) impact test and their behavior and influence on the dynamic response of a threadbar bolt (22 mm nominal diameter). The model was calibrated using published results and based on these results as well as parametric analysis, the response of each component (steel tube, grout, and bolt) could be identified and its behavior in terms of absorbed energy and displacement could be observed. Results show the model can provide important preliminary information to make design decisions about support elements design.

Groundwater represents a pivotal asset in conserving natural water reservoirs for potable consumption, irrigation, and diverse industrial uses. Nevertheless, human activities intertwined with industry and agriculture contribute significantly to groundwater contamination, highlighting the critical necessity to appraise water quality for safe drinking and effective irrigation. This research primarily focused on employing the Water Quality Index (WQI) to gauge water's appropriateness for these purposes. However, the generation of an accurate WQI can prove time-intensive owing to potential errors in sub-index calculations. In response to this challenge, an artificial intelligence (AI) forecasting model was devised, aiming to streamline the process while mitigating errors. The study collected 422 data samples from Mirpurkash, a city nestled in the province of Sindh, for a comprehensive exploration of the region's WQI attributes. Furthermore, the study probed into unraveling the interdependencies amidst variables in the physiochemical analysis of water. Diverse machine learning classifiers were employed for WQI prediction, with findings revealing that random forest and gradient boosting eclipsed other algorithms, achieving an accuracy rate of 99%. In close pursuit were SVM and XGBoost, registering accuracy scores of approximately 95% and 93%, respectively, while KNN and Decision Trees garnered accuracy rates of 88% and 87%, respectively. In addition to WQI prediction, the study conducted an uncertainty analysis of the models using the R-factor, providing insights into the reliability and consistency of predictions. This dual approach, combining accurate WQI prediction with uncertainty assessment, contributes to a more comprehensive understanding of water quality in Mirpurkash and enhances the reliability of decision-making processes related to groundwater utilization

In this paper, we present a relapse based demonstrating way to deal with investigate various arrangement MTC information. A commonplace use of this displaying approach incorporates three stages: first, define a model that approximates the connection between quality articulation and trial factors, with boundaries consolidated to address the exploration premium; second, utilize least-squares and assessing condition methods to gauge boundaries and their relating standard blunders; third, register test insights, P-qualities and NFD as proportions of factual criticalness. The benefits of this methodology are as per the following. To begin with, it tends to the exploration interest in a particular, precise way, and maximally uses all the information and other important data. Second, it represents both orderly and irregular varieties related with the information, and the consequences of such examination give not just quality explicit data applicable to the exploration objective, yet additionally its dependability, in this way helping agents to settle on better choices for subsequent investigations. Third, this methodology is truly adaptable, and can undoubtedly be stretched out to different sorts of MTC considers or other microarray explores by detailing various models dependent on the test plan of the investigations.

Ninety percent of the existing building stock in Europe was built before 1990. These buildings are in urgent need for a significant improvement of energy-efficiency through renovation. Regrettably, so far only five percent of renovation projects have been able to yield energy-saving at deep renovation level. State-of-the-art renovation solutions are available, but costly and lengthy renovation processes and incomprehensible technical complexities hinder the achievement of a wide impact at a European scale. This paper presents research on Plug-and-Play (PnP) technologies supported by Building Information Modelling (BIM) to provide affordable, interchangeable and quick-installation solutions to overcome the main barriers of building deep renovation.

As most of the current dynamic positioning systems are based on model ships, they cannot accu-rately reflect the motion state, position changes, and mutual influence of each part of the dynamic positioning system of actual ships in complex environments. Other actual ships such as cargo ships cannot add various sensors and auxiliary equipment to verify and analyze the positioning system. This article takes the intelligent research and training dual-use ship of Dalian Maritime University, which integrates scientific research and training, as the object of study. This ship will not be affected by the voyage period and route and can choose a suitable sea area for research. Therefore, in order to improve the accuracy and reliability of the dynamic positioning system, research on the ship’s dynamic positioning system was carried out. Firstly, an accurate mathematical model of ship motion was established, and the hydrodynamic derivatives of ship model motion were obtained by nu-merical calculation, and applied to the three-degree-of-freedom model of the intelligent research and training dual-use ship. Then, the model was used as part of the closed-loop simulation model of the ship’s dynamic positioning system, and the terminal sliding mode controller was used for sim-ulation and emulation, thereby obtaining ideal simulation test results. This research helps to im-prove the accuracy and reliability of the dynamic positioning system and provides new ideas and methods for ship motion control.

The increased accessibility of drone technology and the wide use of Structure from Motion 3D scene reconstruction have transformed the approach for mapping inaccessible slopes undergoing active rockfalls. The Poggio Baldi landslide offers the possibility for many of these techniques to be deployed and integrated with the aim of defining a suitable workflow for the analysis of hazards in mountainous regions. The generation of multitemporal digital slope twins (2016 – 2019), informed a rockfall trajectory analysis that was carried out with a physical-based GIS model. We tested the rockfall scenario reconstructed and calibrated on the analysis of the rock mass characteristics and the geometrical and physical constraints given by the multi-temporal analysis of the SfM point clouds. This time-independent rockfall hazard analysis is a critical component to any subsequent holistic risk analysis on this case study, and any potential similar mountainous setting.

Large office buildings are responsible for a substantial portion of energy consumption in urban districts. However, thorough assessments regarding the Nordic countries are still lacking. In this paper we analyse the largest dataset to date for a Nordic office building, by considering a case study located in Stockholm, Sweden, that is occupied by nearly a thousand employees.Distinguishing the lighting and occupants’ appliances energy use from heating and cooling, we can estimate the impact of occupancy without any schedule data. A standard frequentist analysis is compared with Bayesian inference, and the according regression formulas are listed in tables that are easy to implement into building performance simulations (BPS). Monthly as well as seasonal correlations are addressed, showing the critical importance of occupancy.A simple method, grounded on the power drain measurements aimed at generating boundary conditions for the BPS, is also introduced; it shows how, for this type of data and number of occupants, no more complexities are needed in order to obtain reliable predictions. For an average year, we overestimate the measured cumulative consumption by only 4.7%. The model can be easily generalised to a variety of datasets.

Energy consumption modelling is of critical importance for improving energy efficiency in the drive towards sustainable manufacturing. Modern manufacturing processes and machine tools are very complex as they involve interplay of several advanced technologies. Therefore, energy modelling of modern machine tools is a complex multi-disciplinary task. This paper proposes a systematic and practical framework to choose the appropriate modelling approach for a given industrial problem. The framework was validated by applying it to diverse industrial scenarios.

Computationally modelling a nuclear reactor startup core for a benchmark against the existing models is highly desirable for an independent assessment informing nuclear engineers and energy policymakers. This work presents a startup core model of the UK’s first Evolutionary Pressurised Water Reactor (EPR) based on Monte Carlo simulations of particle collisions using Serpent 2, a continuous-energy Monte Carlo reactor physics burnup code. Coupling between neutronics and thermal-hydraulic conditions with the fuel depletion is incorporated into the multi-dimensional branches, obtaining the thermal flux and fission rate (power) distributions radially and axially from the three dimensional (3D) single assembly level to a 3D full core. Shannon entropy is employed to characterise the convergence of the fission source distribution, with 3 billion neutron histories tracked by parallel computing. Source biasing is applied for the variance reduction. Benchmarking the proposed Monte Carlo 3D full-core model against the traditional deterministic transport computation suite used by the UK Office for Nuclear Regulation (ONR), a reasonably good agreement within statistics is demonstrated for the safety-related reactivity coefficients, which creates trust in the EPR safety report.

The paper is based on the scientific outcome of a PhD Thesis. It introduces the generic, model-based, reusable, and extensible conceptual framework to incorporate Facility Management data based within the three-dimensional model-based design and construction of an asset to enable smart applications, which are introduced. The conceptual framework is composed of empirical data from expert interviews, questionnaires, and factual analysis from 13 projects of varied sizes of public and private clients. It shows which phases need which data, who needs them, and which added value can be generated if intelligent data structuring is used at the beginning of the construction project and bridges the gap between requirement and practice. The term “smart application” is introduced.

This paper presents a methodology for predictive and prescriptive analytics of complex engineering systems. The methodology is based on a combination of physics-based and data-driven modeling using machine learning techniques. Combining these approaches results in a set of reliable, fast, and continuously updating models for prescriptive analytics. The methodology is demonstrated with a case study of a jet-engine power plant preventive maintenance and diagnostics of its flame tube.

This paper presents a mathematical modeling approach utilizing a fuzzy modeling framework for fixed wing aircraft systems with the goal of creating a highly desirable mathematical representation for model-based control design applications. The starting point is a mathematical model comprised of fifteen non-linear ordinary differential equations representing the dynamic and kinematic behavior applicable to a wide range of fixed wing aircraft systems. Here the proposed mathematical modeling framework is applied to the AIRBUS A310 model developed by ONERA. The proposed fuzzy modeling framework takes advantage of sector non-linearity techniquesto recast all the non-linear terms from the original model to a set of combined fuzzy rules. The result of this fuzzification is a more suitable mathematical description from the control system design point of view. Therefore, the combination of this fuzzy model and the wide range of control techniques available in the literature for such kind of models will enable us to avoid common control design methods, such as gain scheduling, where stability issues can be extremely challenging.

Among various processes, catalytic CO2 methanation has emerged as a promising method for carbon capture and utilization. Therefore, a CO2 methanation reaction studied with experimentally. The extent of coke formation on the catalyst after the reaction was quantitatively studied. Then, four different machine learning model were employed in order to model CO2 methanation process and to predict CO2, CO, CH4, H2 and N2 concentrations at outlet. The results of the machine learning models were consistent with the experimental data. Performances of the proposed regression methods are evaluated with 10-fold cross validation. Random forest and decision tree regression performed the best among other methods by achieving R >0.98 for the output concentrations and were able to outperform other modeling approaches. It was shown that the best result among the literature studies is reached in this study. The results have demonstrated the possibility of simulation of the methanation process via machine learning techniques. These techniques can be used control and optimization of carbon capture.

This study presents the development of a number of finite element (FE) models of the pelvis using different continuum and structural modelling approaches. Four FE models were developed using different modelling approaches: continuum isotropic, continuum orthotropic, hybrid isotropic and hybrid orthotropic. The models were subjected to an iterative adaptation process based on the Mechanostat principle. Each model was adapted to a number of common daily living activities (walking, stair ascent, stair descent, sit-to-stand and stand-to-sit) by applying onto it joint and muscle loads derived using a musculoskeletal modelling framework. The resulting models, along with a structural model previously developed by the authors, were compared visually in terms of bone architecture, and their response to a single load case was compared to a continuum FE model derived from CT imaging data. The main findings of this study were that the continuum orthotropic model was the closest to the CT derived model in terms of load response albeit having less total bone volume, suggesting that the role of material directionality in influencing the maximum orthotropic Young's modulus should be included in continuum bone adaptation models. In addition, the hybrid models, where trabecular and cortical bone were distinguished, had similar outcomes, suggesting that the approach to modelling trabecular bone is less influential when the cortex is modelled separately.

CO₂ geological storage in deep saline aquifers was recently developed at industrial scale mainly in sandstone formations. Experiences on CO₂ injections in carbonates aquifers for permanent trapping are quite limited, mostly from US projects such as AEP Mountaineer, Michigan and Williston Basin. The behavior of fractures in carbonates plays a key role in those reservoirs in which porous matrix permeability is very poor, which drives the CO₂ plume migration through the fracture network where hydromechanics and geochemical effects take place due to injection. Hontomín (Spain) is the actual on-shore injection pilot in Europe (EP Resolution of 14 January 2014), whose reservoir is comprised of fractured carbonates. Existing experiences from field scale tests conducted on site have supported to better understand the behavior of this type of reservoirs for CO₂ geological storage. Innovative CO₂ injection strategies are being carried out in ENOS Project (EU H2020 Programme, http://www.enos-project.eu). First results based on field tests conducted at Hontomín, and the advanced modelling developed so far will be analyzed and discussed in this article, as well as, the description of future works. The evolution of operating parameters such as flow rate, pressure and recovery term during the tests confirm the CO₂ migration through the fractures.

We present contrast information, a novel application of some specific cases of relative entropy measures, designed to be useful for cognitive modelling of sequential perception of continuous signals. We explain the relevance of entropy in cognitive modelling of music and language. Then, as a first step to demonstrating the utility of constrast information for that purpose, we show empirically that its discrete case correlates well with existing successful cognitive models in the literature. We explain some interesting properties of constrast information. Finally we propose future work towards a cognitive architecture that uses it.

A computational model for analysing the tooth deflection of polymer gears is presented in this paper. Because polymer gears have less stiffness compared to metal gears, the proposed approach considers a comprehensive analysis to determine the most suitable numerical model, i.e., the number of teeth that should be modelled. The developed computational model has been evaluated on the spur gear pair, where the pinion made of POM has meshed with a support gear made of steel. Material properties were assigned with linear elastic characteristics for the gear, while the pinion was characterised by hyperelastic properties using POM material. Furthermore, a nonlubricated frictional contact between the gear and pinion was considered in the numerical computations. The computational results that were obtained were compared to the empirical results according to VDI 2736 guidelines. Here, the computational approach showed more accurate results due to the hyperelastic material characteristics of POM. However, VDI 2736 calculation showed the comparability with computational results with a slightly larger deviation at lower loads.

Barley straw was used to reinforce PHB in a discontinuous semi-industrial process. Four different fibres were used as reinforcing material : sawdust (SW), defibred (DFBF), delignified (DBF) and bleached (BBF) fibres. Looking at the mechanical properties, onlythe elastic moduli (Et) revealed an improvement. Oppositely, the strengths at break, under both tensile and bending assays, tended to decrease, evidencing a poor affinity between both components. Thanks to the mechani-cal treatment applied on the fibre, DFBF appeared as the most promising filler with the mechani-cal properties of the composites closest to those of neat PHB. DFBF-based composites were then produced by means of a process intensification using a twin-screw extruder, and then moulded into flowerpots. Mechanical results showed almost the same properties between the discontinuous and intensification processes. The suitability of the material to be used on agriculture flowerpots was demonstrated by simulation. . PHB-DFBF composite material can be considered an alterna-tive to replace petrol-based products for applications in agriculture and horticulture.

The kinetics of biogas production from biomass depends on several factors such as: carbon to nitrogen ratio (C/N), reactor temperature (T), and retention time (RT). The purpose of this study was to obtain a new model for predicting biogas production. Spent Mushroom Compost (SMC) was used to produce biogas in a batch type reactor. The experiments were carried out with different C/N ratios (12.1, 20, 30 and 40) and in both mesophilic (35°C) and thermophilic (55°C) temperatures. The results showed that the Maximum biogas production at 35°C, C/N=20 was equal to 41.9 mL/gVS and 55°C, C/N=30 was equal to 51.6 mL/gVS. By using experimental data, a new kinetic model was proposed to predict biogas production. Comparing the values of the results indicate that the total values of RMSE for Logistics, Gampartz and new kinetic models was 0.1906, 0.1830 and 0.1617, respectively. Therefore, the process of anaerobic digestion of biomass can be assumed to be just a chemical reaction, and the new kinetic model is an appropriate alternative to microbial growth models.

Wireless cellular communication technology has developed into a very resourceful commodity worldwide. Today, people of all races can hardly live without means of voice and data cellular communication technology. Imprecise propagation loss estimation leads to high power waste, high co-channel interference and poor service quality in cellular communication system networks. This paper proposes a realistic adaptive fine-tuning method for distinctive propagation loss estimation over a microcellular communication radio links based on signal power measurements from Long Term Evolution radio broadband networks, taking non-line of sight (NLOS) and line of sight (LOS) environments into consideration. The methodology is verified by measurements taken in non-line of sight and line of sight signal propagation scenarios. The results showed that the estimated propagation losses using the proposed realistic adaptive tuning models were more accurate than the existing Cost -231 modelling estimation approach

Wireless cellular communication technology has developed into a very resourceful commodity worldwide. Today, people of all races can hardly live without means of voice and data cellular communication technology. Imprecise propagation loss estimation leads to high power waste, high co-channel interference and poor service quality in cellular communication system networks. This paper proposes a realistic adaptive fine-tuning method for distinctive propagation loss estimation over a microcellular communication radio links based on signal power measurements from Long Term Evolution radio broadband networks, taking non-line of sight (NLOS) and line of sight (LOS) environments into consideration. The methodology is verified by measurements taken in non-line of sight and line of sight signal propagation scenarios. The results showed that the estimated propagation losses using the proposed realistic adaptive tuning models were more accurate than the existing Cost -231 modelling estimation approach.

This paper presents a comparison of the predictive capability of three hydrological models in a heavily influenced catchment in Peninsula India. In catchments where there is a high dependence on both streamflow and groundwater to meet demands, it is of importance to capture the catchment processes correctly. This study highlights the performance evaluation of a multi-model ensemble consisting of GWAVA (Global Water AVailability Assessment) model, SWAT (Soil Water Assessment Tool) and VIC (Variable Infiltration Capacity) model for comparative purposes and the key catchment hydrological processes. The three models were compared in several sub-catchments in the upstream reaches of the Cauvery river catchment. Model performances for monthly streamflow simulations from 1983 – 2005 were analysed for five catchments in the Upper Cauvery. The analysis was undertaken using Nash- Sutcliffe Efficiency, Kling- Gupta Efficiency and percent bias. Additionally, a mean ensemble is presented. The application of a multi-model ensemble approach can be useful in overcoming the uncertainties associated with individual models. The ensemble mean has a better predictive ability in catchments with reservoirs than the individual models. Utilising multiple models could be a suitable methodology to offset uncertainty in input data and poor reservoir operation functionality within individual models. This study has highlighted the importance of an accurate spatial representation of precipitation for input into hydrological models and comprehensive reservoir functionality is paramount to obtaining good results in this region.

We consider the financial planning problem of a retiree wishing to enter a retirement village at a future uncertain date. The date of entry is determined by the retiree's utility and bequest maximisation problem within the context of uncertain future health states. In addition, the retiree must choose optimal consumption, investment, bequest and purchase of insurance products prior to her full annuitisation on entry to the retirement village. A hyperbolic absolute risk-aversion (HARA) utility function is used to allow necessary consumption for basic living and medical costs. The retirement village will typically require an initial deposit upon entry. This threshold wealth requirement leads to exercising the replication of an American put option at the uncertain stopping time. From our numerical results, active insurance and annuity markets are shown to be a critical aspect in retirement planning.

In this study, the generality and prediction accuracy of a generalised series model for large eddy simulation of premixed and non-premixed turbulent combustion is explored. The model is based on Taylor series expansion of the chemical source term in scalar space and implemented into OpenFOAM. The mathematical model does not depend on the combustion regimes, and has the correct limiting behaviour. The numerical error sources are outlined and analysed. The model is first applied to a piloted methane/air non-premixed jet flame (Sandia Flame D). The statistical (time-averaged and RMS) results agree well with experimental measurements, particularly with regard to the mixture fraction, velocity, temperature, and concentrations of major species CH4, CO2, H2O, and O2. The concentrations of intermediates CO and H2 are over-predicted, due to the limitations of the reduced reaction mechanism employed. Then, a Bunsen piloted flame is simulated. Most of the statistical properties of both reactive species and progress variable are well reproduced. The only major discrepancy evident is in the temperature, which is attributed to the experimental uncertainties of temperature fields in the pilot stream. These findings have demonstrated the model`s generality for both premixed and non-premixed combustion simulation, as well as the accuracy of prediction of reactive species distribution.

In the present protocol, we determined the presence and concentrations of bisphenol A (BPA) spiked in surface water samples using EEM fluorescence spectroscopy in conjunction with modelling using partial least squares (PLS) and parallel factor (PARAFAC). PARAFAC modelling of the EEM fluorescence data obtained from surface water samples contaminated with BPA unraveled four fluorophores including BPA. The best outcomes for BPA concentration (R2 = 0:996; Standard deviation to prediction error's root mean square ratio (RPD) = 3.41; and a Pearson's r value of 0.998). With these values of R2 and Pearson's r, the PLS model showed a strong correlation between the predicted and measured BPA concentrations. The detection and quantification limits of the methods were 3.512 and 11.708 micro molar (µM), respectively. In conclusion, BPA can be precisely detected and its concentration in surface water predicted using the PARAFAC and PLS models developed in this study and fluorescence EEM data collected from BPA-contaminated water. It is necessary to spatially relate surface water contamination data with other datasets in order to connect drinking water quality issues with health, environmental restoration, and environmental justice concerns.

Arterial ageing is thought to cause a diastolic-to-systolic shift in the return time (RT) of backward waves to central arteries. However, current methods of estimating RT—inflection point, zero crossing, and foot methods—depend on a single waveform feature and produce systolic RT throughout life. We propose a novel centroid method that accounts for the entire backward pressure waveform and develop a ground truth RT (GTRT), which can be used in computational models to test the accuracy of RT estimation methods. Linear wave tracking was implemented in a one-dimensional systemic arterial tree model and GTRT was calculated as the amplitude-weighted mean RT of backward waves at the ascending aorta. Using a virtual cohort of 1200 patients, the centroid RT was closest to GTRT compared to the zero crossing, inflection point, and foot methods; mean differences (limits of agreement) were -8 (-47,30), vs -42 (-136,52), -78 (-305,149), and -197 (-379,-15) ms, respectively. The sensitivity of the methods to changes in RT was also assessed in ten sheep. A balloon catheter in the descending thoracic aorta was used to generate a backward-running pulse that arrived at the ascending aorta at different times during diastole or systole, allowing the “bulk” RT of the backward-running wave ensemble to be manipulated. Only the centroid method was sensitive to both diastolic and systolic changes in RT. We conclude that the accuracy and robustness of the centroid method make it most suitable for evaluating the diastolic-to-systolic shift in RT of backward waves with ageing.

This study presents a dynamic modeling approach to investigate the impact of saturation dynamics on HIV/AIDS transmission in the presence of vertical transmission and treatment strategies. The proposed model incorporates disease-free and endemic equilibria, with a focus on analyzing the basic reproduction number and conducting stability analysis. Results indicate that the disease-free equilibrium is locally asymptotically stable under certain conditions. The findings suggest that a combination of treatment interventions and awareness campaigns, along with other control measures, may play a crucial role in curbing the spread of the HIV/AIDS virus. This research contributes to understanding the complex dynamics of HIV/AIDS epidemics and highlights the importance of considering saturation effects in epidemic modeling.

The use of hydrogen fuel cells as a mobile source of electricity might prove to be a keystone in future decarbonization of heavy duty road and marine transport. Due to complex interplay of various physicochemical processes in the fuel cells, further development of these devices will rely on concerted effort of researchers from various fields, e.g. chemistry, physics, electric and mechanical engineering. This results in knowledge gaps which are filled by the information, dispersed in wide range of literature, but rarely covered in a short and condensed form. To address this issue and with the aim of providing a concise and simple explanation of fuel cell operation, we propose a simple educational model of the most relevant processes in the fuel cell, aimed at proper description of causal relations. The derivation of model equations provides an intuitive understanding of electric potentials acting on protons on the microscopic level and relates this knowledge to the common terminology in fuel cell research community, such as catalyst electric overpotential and internal membrane resistance. The results of the model fit well with experimental data, indicating that a simple description, provided in the paper, is sufficient for intuitive understanding of fuel cell operation.

There is a paucity of data on the progression of track cycling sprinters, and the evolution of training and performance over a training cycle. Following prior research showing relationships between sprint cycling power and endurance cycling power, we compared these relations over a 3-month period. Our hypothesis is large improvements in power would come from training either for sprint power or sprint capacity, and this would be reflected in the data. A total of publicly available 25 datasets. These data were plotted against the line of best fit for 30-s and 2-min power to assess if training towards the line led to better 30-s power. We observe the best performances came from riders who start below the 30-s vs 2-min power line of best fit, with greater capacity and ability to ride fast over a sprint series, and progressing towards focusing on specific power in the final block leading into a competition. These results support the hypothesis of combined capacity and power training based on rider-specific relationship to the line of best fit between these measures versus a strictly maximal power training focus.

In this article we propose an application of humanitarian logistics theory to build a supportive framework for economic reactivation and pandemic management based on province vulnerability against COVID-19. The main research question is: which factors are related to COVID-19 mortality between Peruvian provinces? We conduct a spatial regression analysis to explore which factors determines the differences in COVID-19 cumulative mortality rates for 189 Peruvian provinces up to December 2020. The most vulnerable provinces are characterized by having low outcomes of long-run poverty and high population density. Low poverty means a high economic activity that leads to more deaths of COVID-19. There is a lack of supply of a set of relief goods defined as Pandemic Response and Recovery Supportive Goods and Services (PRRSGS). These goods must be delivered in order to mitigate the risk associated to COVID-19. A supportive framework for economic reactivation can be built based on regression results and a delivery strategy can be discussed according to the spatial patterns that we found for mortality rates.

Due to failure of the continuum hypothesis for higher Knudsen numbers, rarefied gases and microflows of gases are particularly difficult to model. Macroscopic transport equations compete with particle methods, such as DSMC to find accurate solutions in the rarefied gas regime. Due to growing interest in micro flow applications, such as micro fuel cells, it is important to model and understand evaporation in this flow regime. Here, evaporation boundary conditions for the R13 equations, which are macroscopic transport equations with applicability in the rarefied gas regime, are derived. The new equations utilize Onsager relations, linear relations between thermodynamic fluxes and forces, with constant coefficients, that need to be determined. For this, the boundary conditions are fitted to DSMC data and compared to other R13 boundary conditions from kinetic theory and Navier-Stokes-Fourier (NSF) solutions for two one-dimensional steady-state problems. Overall, the suggested fittings of the new phenomenological boundary conditions show better agreement to DSMC than the alternative kinetic theory evaporation boundary conditions for R13. Furthermore, the new evaporation boundary conditions for R13 are implemented in a code for the numerical solution of complex, two-dimensional geometries and compared to NSF solutions. Different flow patterns between R13 and NSF for higher Knudsen numbers are observed.

Metabolites are at the end of the gene-transcript-protein-metabolism cascade. As such, metabo-lomics is the omic approach that offers the most direct correlation with phenotype. This allows that, where genomics, transcriptomics and proteomics fail to explain a trait, metabolomics might give an answer. Complex phenotypes, which are determined by the influence of multiple small effect alleles, are an example of these situations. Consequently, the interest in metabolomics has increased ex-ponentially in the last years. As a newer discipline, the metabolomics bioinformatics analysis pipe-lines are not as standardized as in the other omic approaches. In this review we synthesized the different steps that need to be carried out to obtain biological insight from the annotated metabolite abundance raw data. These steps were grouped in three different modules: preprocessing, statistical analyses and metabolic pathway enrichment. We included within each one of them the different state-of-the art procedures and tools that can be used depending on the characteristics of the study, providing details about the characteristics of each method has, as well as the issues the reader might encounter. Finally, we introduce genome scale metabolic modeling as a tool for obtaining pseu-do-metabolomic data in situations where its acquisition is difficult, being possible to analyze the resulting data with the modules of the described workflow.

This paper presents a novel statistical model i.e. the Laplace-Rician distribution, for the characterisation of synthetic aperture radar (SAR) images. Since accurate statistical models lead to better results in applications such as target tracking, classification, or despeckling, characterising SAR images of various scenes including urban, sea surface, or agricultural, is essential. The proposed Laplace-Rician model is investigated for SAR images of several frequency bands and various scenes in comparison to state-of-the-art statistical models that include K, Weibull, and Lognormal. The results demonstrate the superior performance and flexibility of the proposed model for all frequency bands and scenes.

A simple underwater noise model suitable for use with explosive severance of well conductors and piles during the decommissioning of oil and gas subsea structures is introduced and evaluated against data from five projects in the US. This study focuses on a novel model for the determination of sound exposure levels. The model has been developed to enable determination of impact areas for marine mammals and fish. Simulated received underwater sound exposure levels were significantly correlated with measurements for all scenarios. The maximum total error achieved between simulations and measurements was 2.6%, suggesting that predictions are accurate to within 3% of the average measurement. A low relative bias was observed in the simulations when compared to measured values, suggesting only a small systematic underestimate (≤ 0.5% of average measurement) for most severance operations and a small overestimate (0.14%) for open water blasts.

A general procedure is described, to generate material parameter sets to simulate fire propagation in horizontal cable tray installations. Cone Calorimeter test data is processed in an inverse modelling approach. Here, parameter sets are generated procedurally and serve as input for simulations conducted with the Fire Dynamics Simulator (FDS). The simulation responses are compared with the experimental data and ranked based on their fitness. The best fitness was found for a test condition of \SI{50}{\kilo\watt\per\meter^2}. Low flux conditions \SI{25}{\kilo\watt\per\meter^2} and less exhibited difficulties to be simulated accurately. As a validation step, the best parameter sets are then utilised to simulate fire propagation within a horizontal cable tray installation and are compared with experimental data. It is important to note, the inverse modelling process is focused on the Cone Calorimeter and not aware of the actual validation step. Despite this handicap, the general features in the fire development can be reproduced, however not exact. The fire in the tray simulation extinguishes earlier and the total energy release is slightly higher as compared to the experiment. The responses of the material parameter sets are briefly compared with a selection of state of the art procedures.

Precision medicine (PM), also termed stratified, individualised, targeted or personalised medicine, embraces a rapidly expanding area of research, knowledge, and practice. It brings together two emerging health technologies to deliver better individualised care: the many “-omics” arising from increased capacity to understand the human genome; and “big data” and data analytics including Artificial Intelligence (AI). PM has the potential to transform an individual’s health, moving from population-based disease prevention to more personalised management. There is however a tension between the two, with a real risk that this will exacerbate health inequalities and divert funds and attention from basic healthcare requirements leading to worse health outcomes for many. All areas of medicine should consider how this will affect their practice, with PM now strongly encouraged and supported by government initiatives and research funding. In this review we discuss examples of PM in current practice and its emerging applications in primary care, such as clinical prediction tools that incorporate genomic markers and pharmacogenomic testing. We look towards potential future applications and consider some key questions for PM including evidence of real-world impact, its affordability, the risk of exacerbating health inequalities, and the computational and storage challenges of applying PM technologies at scale.

Substantial research is required to ensure that micro-mobility ride sharing provides a better fulfillment of user needs. This study proposes a novel crowdsourcing model for the ride-sharing system where light vehicles such as scooters and bikes are crowdsourced. The proposed model consists of three entities: suppliers, customers, and a management party responsible for receiving, renting, booking, and demand matching with offered resources. It can allow suppliers to define the location of their private e-scooters/e-bikes and the period of time they are available for rent. Using a dataset of over 9 million e-scooter trips in Austin, Texas, we ran an agent-based simulation six times using three maximum battery ranges (i.e., 35, 45, and 60 km) and different numbers of e-scooters (e.g., 50 and 100) at each origin. Computational results show that the proposed model is promising and might be advantageous to shift the charging and maintenance efforts to a crowd of suppliers.

This paper describes the development of a two-dimensional water quality model that solves hydrodynamic equations tied to transport equations with reactions mechanisms inherent in the processes. This enable us to perform an accurate assessment of the pollution in a coastal ecosystem. The model was developed with data drawn from the ecosystem found in Mexico's southeast state of Tabasco. The coastal ecosystem consists of the interaction of El Yucateco lagoon with the Chicozapote and Tonalá rivers, that connect the lagoon with the Gulf of Mexico. We present the results of pollutants transport simulation in the coastal ecosystem, focusing on toxic parameters for two hydrodynamic scenarios: wet and dry seasons. As it of interest in the zone, we study the transport of four metals: Cadmium, Chromium, Nickel and Lead. In order to address our objectives we solved numerically a self-posed mathematical problem,which is based on the measured data. The performed simulations show to characterise metal transport within the acceptable range of accuracy and in accordance with the measured data. The performed simulations show to characterise metals transport with an acceptable accuracy, agreeing well with measured data in total concentrations in four control points along the water body. Although for the accurate implementation of the hydrodynamic-based water quality model herein presented, boundary (geometry, tides, wind, etc.) and initial (concentrations measurements) conditions are required, it poses as an excellent option when the distribution of solutes with high accuracy is required, easing environmental, economic and social management of coastal ecosystems.

Leishmaniasis is a neglected tropical disease and affects more than 350 million people worldwide. However, there are no vaccines for humans, and current treatment is hampered due to its high cost, numerous side effects, and painful administration routes. Ending its epidemics by 2030 has become a United Nations goal, and the multitarget drug strategy emerges as a promising alternative. Flavonoids are an example of multitarget compounds and organic synthesis represents a tool to obtain high yields of these molecules. In our study, we synthesized 17 flavonoid analogs using a scalable, easy-to-reproduce, and inexpensive method. All compounds demonstrated an impressive inhibition capacity against rCPB2.8, rCPB3, and rH84Y, which are highly expressed in the amastigote stage, the target form of the parasite. Compounds 3c, f12a, and f12b stood out as effective against all isoforms and intermolecular interactions were investigated through a molecular modeling study. The compounds were highly potent against the parasite and demonstrated low cytotoxic action against mammalian cells. The results were pioneering, representing an advance in the investigation of the mechanisms behind the antileishmanial action of flavonoid derivatives. Furthermore, compounds have shown to be promising leads for the design of other cysteine protease inhibitors for the treatment of leishmaniasis diseases.

This paper discusses the mathematical modelling of exothermic explosions in a slab. This model is based on a nonlinear equation containing a nonlinear term related to Arrhenius, bimolecular, and sensitised laws of reaction kinetics. The absolute temperature can be obtained by solving the nonlinear equation using Akbari-Ganji’s method. The influence of the parameters Frank-Kamenetskii, activation energy and numerical exponent on temperature is discussed. The analytical results are compared with previous available analytical and numerical results ( Matlab). A satisfactory agreement is noted.

There is a range of local weather and climate-related factors that contribute to the degradation of cultural heritage buildings, structures and sites over time. Some of these factors are influenced by changes in climate and some of these changes manifest themselves though a speeding up of the rate of degradation. It is the intention of this paper to review this situation with special reference to the Nordic Countries, where typical trends resulting from climate change are shorter winters and increased precipitation all year round. An attempt is made to initially draw up a classification of materials and structures relevant to cultural heritage that are affected, with a proposed numeric scale for the urgency to act. The intention is to provide information on where best to concentrate cultural heritage site preservation resources in the future.

Hydrogen is a promising energy carrier, exploitable to extract energy from fossil fuels, biomasses as well as intermittent renewable energy sources and its generation from fossil fuels with CO₂ separation at the source is one of the most promising pathway for fossil fuels utilization. This work is focused on a particular configuration, called Reformer and Membrane Module (RMM), which alternates stages of Steam Reforming (SR) reaction with H2 separation stages to overcome the thermodynamic limits of the conventional SR. The configuration has numerous advantages with respect to the more studied and tested membrane reactors and has been tested on a pilot scale during a pilot-scale research project. Although the numerous modelling works appeared in the literature, the design features of the material exchanger (in the so-called RMM architecture) of different geometrical configurations have not been developed and the mass transfer correlations, capable of providing design tools useful for such membrane modules, are not available. The purpose of this work is therefore to apply a physical-mathematical model of the mass transfer, in three different geometries, considering both concentration polarization and membrane permeation, in order to: i) simulate the cited experimental results, ii) estimate the scaling-up correlations for the “material exchange modules”; iii) identify the mass transfer limiting regime in relation to the gas mass flow rate.

Carbon Capture and Storage (CCS) stands as a pivotal technological stride toward a sustainable future, with the practice of injecting supercritical CO2 into subsurface formations having already been an established practice for enhanced oil recovery operations. The overarching objective of CCS is to protract the operational viability and sustainability of platforms and oilfields, thereby facilitating a seamless transition towards sustainable practices. This study introduces a comprehensive framework for optimizing well placements in CCS operations, employing a derivative-free method known as Bayesian optimization. The development plan is tailored for scenarios featuring aquifers devoid of flow boundaries, incorporating production wells tasked with controlling pressure buildup and injection wells dedicated to CO2 sequestration. Notably, the wells operate under group control, signifying predefined injection and production targets and constraints that must be adhered to throughout the project’s lifespan. As a result, the objective function remains invariant under specific permutations of the well locations. Our investigation delves into the efficacy of Bayesian optimization under the introduced permutation invariance. The results reveal that it demonstrates critical efficiency in handling the optimization task extremely fast. In essence, this study advocates for the efficacy of Bayesian optimization in the context of optimizing well placements for CCS operations, emphasizing its potential as a preferred methodology for enhancing sustainability in the energy sector.

A simple underwater noise model suitable for use with explosives in the decommissioning of oil and gas subsea structures is introduced and evaluated against data from five projects in the US. The performance of the model is compared to four existing models for open water blasts, and for the severance of well conductors and piles. Simulated received underwater sound pressure levels were significantly correlated with measurements for all scenarios. The maximum total error achieved between simulations and measurements was 3.5%, suggesting that predictions are accurate to within 4% of the average measurement. A low relative bias was observed in the simulations when compared to measured values, suggesting only a small systematic underestimate (≤ 1% of average measurement) for most severance operations and a small overestimate (1.34%) for open water blasts.

Nowadays, great attention has been attributed to the study of runoff and its fluctuation over space and time. There is a crucial need for a good soil and water management system to overcome the challenges of water scarcity and other natural adverse events like floods and landslides, among others. Rainfall-runoff modeling is an appropriate approach for runoff prediction, making it possible to take preventive measures to avoid damage caused by natural hazards such as floods. In the present study, several data driven models, namely: Multiple linear regression (MLR), Multiple adaptive regression splines (MARS), Support vector machine (SVM), and Random Forest (RF), were used for rainfall-runoff prediction of the Gola watershed, located in the south-eastern part of the Uttarakhand. The performance of the models was evaluated based on the coefficient of determination (R2), root mean square error (RMSE), Nash-Sutcliffe efficiency (NSE), and percent bias (PBAIS) indices. In addition to the numerical comparison, the models were evaluated and their performances were evaluated base on graphical plotting, i.e., line diagram, scatter plot, Violin plot, relative error plot and Taylor diagram (TD). The comparison results revealed that the four heuristic methods gave higher accuracy than the MLR model. Among the machine learning models, the RF (RMSE (m3/s), R2, NSE, and PBIAS (%) = 6.31, 0.96, 0.94, and -0.20 during the training period, respectively, and 5.53, 0.95, 0.92, and -0.20 during the testing period, respectively) surpassed the MARS, SVM, and the MLR models in forecasting daily runoff for all cases studies. Among all four models, the RF model outperformed in the training and testing periods. It can be summarized that the RF model is best-in-class and delivers a strong potential for runoff prediction of the Gola watershed.

Melatonin is a hormone used for treating several disorders. However, its oral administration is problematic due to the variable absorption and extensive first-pass metabolism. The topical application of this drug does not present these disadvantages and can be used for therapeutic and skin protection purposes. The adsorption and release of melatonin in the montmorillonite clay was investigated experimentally and theoretically. The drug-clay interaction products were prepared and characterized, showing a modified and improved diffusion and release of melatonin. The crystal structure and spectroscopic properties of melatonin and melatonin-water-mineral materials were studied by molecular modeling, finding that the adsorption of this drug is energetically favourable, and the results were consistent with the experimental data. Ab initio molecular dynamics simulations with the metadynamics methodology showed the release of melatonin from the confined interlayer nanospace of montmorillonite to the liquid bulk water with a 20 kcal/mol free energy barrier.

Mathematical modelling of bioprocesses has a long and notable history, with eminent contributions from fields including microbiology, ecology, biophysics, chemistry, statistics, control theory and mathematical theory. This richness of ideas and breadth of concepts provide great motivation for inquisitive engineers and intrepid scientists to try their hand at modelling, and this collaboration of disciplines has also delivered significant milestones in the quality and application of models for both theoretical and practical interrogation of engineered biological systems. The focus of this review is the anaerobic digestion process, which, as a technology that has come in and out of fashion, still remains a fundamental process for addressing the global climate emergency. Whether with conventional anaerobic digestion systems, biorefineries, or other anaerobic technologies, mathematical models are important tools that are used to design, monitor, control and optimise the process. Both highly structured, mechanistic models and data-driven approaches have been used extensively over half a decade, but recent advances in computational capacity, scientific understanding and diversity and quality of process data, presents an opportunity for the development of new modelling paradigms, augmentation of existing methods, or even incorporation of tools from other disciplines, to ensure that anaerobic digestion research can remain resilient and relevant in the face of emerging and future challenges.

Antimicrobial resistance (AMR) is an increasingly pressing threat to human, animal, and environmental health. Reducing the use of antibiotics in agriculture has been identified as a key way to curb the spread of AMR. However, the effect of such policies on AMR prevalence, and their broader impacts on agricultural, health, and economic outcomes at the population level have proven very difficult to estimate and compare. This paper draws on and formalises ideas presented at the JPIAMR New Perspectives on Bacterial Drug Resistance workshop in June of 2022. With reference to emerging literature on the topic, it proposes a quantitative framework for estimating the relevant causal relationships needed to quantify the cross-sectoral impacts of AMR policies in agriculture, and for comparing these outcomes in like terms in a way which can feed directly into policy decision-making, notably without prohibitive data requirements. The ability of researchers to apply frameworks such as this will be increasingly necessary in order to holistically capture the impacts of AMR policies and to situate them in the broader policy context; especially where the mechanisms of transmission are opaque or complex, where data availability is limited; and where policymakers must allocate scarce resources among many competing objectives.

Marine wildlife and aquaculture species can accumulate large amounts of microplastic particles (&lt;1 mm), threatening the health of marine populations and ecosystems and posing a risk to food safety and human health. The uptake of chemicals from microplastics seems to decrease the immune capacity of bivalves and corals to fight pathogenic bacteria, thereby increasing their vulnerability to disease. Moreover, major pathogens of bivalves, fish, and humans, including several Vibrio species, have been shown to be specifically enriched in the microbial communities adhered to marine microplastic debris (MMD). Microplastics can therefore serve as an important vector for and regulator of pathogen transmission and disease dynamics. Here, we outline a theoretical, three-perspective approach for studying the relationship between MMD and disease. First, we provide a framework for retrospective analysis of MMD and pathogen loads in marine animal tissues to assess the relationships between them, their bioaccumulation over time, and their relationship to other environmental variables. The results from such an analysis can be used to decide whether a compound or pathogen should be considered an emerging substance or organism. Second, we describe an experimental design for testing the effect of a variety of microplastics on in vivo pathogen removal (i.e., the phagocytic activity of hemocytes) and infection intensity in two study model species (oysters and zebrafish). Finally, we create a theoretical susceptible-infected microplastic particle and pathogen transmission model for bivalves and fish. Overall, the experiments and models we propose will pave the way for future research designed to assess the role of MMD as a vector for marine and human pathogens. This multi-faceted approach needs to be an urgent priority of the EU Strategic Research Innovation Agenda for addressing marine disease challenges related to MMD.

Superconducting YBa2Cu3Oy (YBCO) foams were prepared using commercial open-cell, polyurethane foams as starting material to form ceramic Y2BaCuO5 (Y-211) foams which are then converted into superconducting YBCO by using the infiltration growth process. For modelling the superconducting and mechanical properties of the foam samples, a Kelvin-type cell may be employed as a first approach like done in the literature for pure polyurethane foams. However, for a refined model of a superconducting foam sample, the real sample structure must be considered. Thus, a proper description of the specific microstructure of the superconducting YBCO foams is required. A variety of parameters including the cell size and shape, the window size and shape, the length and shape of the foam struts or ligaments and the respective angles of intersection are used to describe the real foam structure. To obtain a set of reliable data, YBCO foam samples were investigated using optical microscopy, SEM and electron backscatter diffraction (EBSD). The detailed investigation of the foam microstructure reveals not only the differences to the polymeric foams used as base material, but also gives insight to details of the infiltration growth process via the increased surface amount in a foam sample.

This study presents the computational model to determine the wear behaviour of polymer gears. Using PrePoMax finite element numerical calculation software, a proposed computational model was built to predict wear behaviour based on Archard's wear model. This allows the calculation of the wear depth in each loading cycle with constant mesh updating. The developed computational model has been evaluated on the spur gear pair, where the pinion made of POM has meshed with a support gear made of steel. The computational results that were obtained were compared with the analytical results according to the VDI 2736 guidelines. Based on this comparison, it was concluded that the proposed computational model could be used to simulate the wear behaviour of contacting mechanical elements like gears, bearings, etc. The main advantage of the model, if compared to the standardised procedure according to the VDI 2736 guidelines, is the geometry updating after a chosen number of loading cycles, which enables a more accurate prediction of wear behaviour under rolling/sliding loading conditions.

Industrial discrete event dynamic systems (DEDSs) are commonly modelled by means of Petri nets (PNs). PNs have the capability to model behaviours such as concurrency, synchronization, and resource sharing, compared to a GRAphe Fonctionnel de Commande Etape Transition (GRAFCET) which is a particular case of a PN. However, there is not a systematic way to implement a PN in a programmable logic controller (PLC), and so it is very common the implementation of such a controller outside a PLC, in some external software that will communicate with the PLC. There have been some attempts to implement PNs within a PLC, but they are dependent on how the logic of places and transitions is programmed for each application. This work proposes a novel application-independent and platform-independent PN implementation methodology. This methodology is a systematic way to implement a PN controller within industrial PLCs. A great portion of the code will be validated automatically prior to PLC implementation. Net structure and marking evolution will be checked on the basis of PN model structural analysis, and only net interpretation will be manually coded and error-prone. Thus, this methodology represents a systematic and semi-compiled PN implementation method. A use case supported by a digital twin (DT) is shown where the automated solution required by a manufacturing system is carried out and executed in two different devices for portability testing, and the scan cycle periods are compared for both approaches.

Buildings have started to play a critical role in the stability and resilience of modern smart grids, leading to a refocusing of large scale energy management strategies from the supply side to the consumer side. When the buildings integrate local renewable energy generation in the form of renewable energy resources they become prosumers and this reflects into additional complexity into the operation of the interconnected complex energy systems. A class of methods of modelling the energy consumption patterns of the building have recently emerged as black-box input-output approaches with the ability to capture underlying consumption trends. These make use and require large quantities of quality data produces by non-deterministic processes underlying the energy consumption. We present an application of a class of neural networks, namely deep learning techniques for time series sequence modelling with the goal of accurate and reliable building energy load forecasting. The Recurrent Neural Network implementation uses Long Short-Term Memory layers in increasing density of nodes to quantify prediction accuracy. The case study is illustrated on four university buildings from temperate climates over one year of operation using a reference benchmarking dataset that allows replicable results. The obtained results are discussed in terms of accuracy metrics and computational and network architecture aspects and are considered suitable for further used in future in situ energy management at the building and neighbourhood levels.

Designing the future energy supply in accordance with ambitious climate change mitigation goals is a challenging issue. Common tools for planning and calculating future investments in renewable and sustainable technologies are often linear energy system models based on cost optimisation. However, input data and the underlying assumptions of future developments are subject to uncertainties that negatively affect the robustness of results. This paper introduces a quadratic programming approach to modifying linear, bottom-up energy system optimisation models in order to take cost uncertainties into account. This is accomplished by implementing specific investment costs as a function of the installed capacity of each technology. In contrast to established approaches like stochastic programming or Monte Carlo Simulation, the computation time of the quadratic programming approach is only slightly higher than that of linear programming. The model’s outcomes were found to show a wider range as well as a more robust allocation of the considered technologies than the linear model equivalent.

We aim to evaluate efficiency of two American surveillance systems for monitoring the spread of antimicrobial-resistant (AMR) gonorrhea among men who have sex with men (MSM) using the novel continuous-time agent-based model of gonorrhea transmission. The model was developed using the simulation modelling tool AnyLogic and accounts for susceptible and resistant strains of N. gonorrhoeae, symptomatic and asymptomatic infection and various routes of transmission between different anatomical sites. The model was calibrated using a Bayesian calibration approach. The surveillance systems are the Gonococcal Isolate Surveillance Project (GISP) and the enhanced Gonococcal Isolate Surveillance Project (eGISP). We calculated accuracy, sensitivity, specificity and estimation error for each surveillance system based on the number of isolates submitted in 2018. We also varied that number to see its effect on the outcomes. Our results show that the accuracy of eGISP was between 66% and 92%, while GISP demonstrates low accuracy between 44% and 48%. We also determined that increasing the number of isolates results in improved performance for eGISP, while GISP is not particularly sensitive to it.

A multiscale modelling approach was developed in order to estimate the effect of defects on the strength of unidirectional carbon fiber composites. The work encompasses a micromechanics approach, where the known reinforcement and matrix properties are experimentally verified and a 3D finite element model is meshed directly from micrographs. Boundary conditions for loading the micromechanical model are derived from macroscale finite element simulations of the component in question. Using a microscale model based on the actual microstructure, material parameters and load case allows realistic estimation of the effect of a defect. The modelling approach was tested with a unidirectional carbon fiber composite beam, from which the micromechanical model was created and experimentally validated. The effect of porosity was simulated using a resin-rich area in the microstructure and the results were compared to experimental work on samples containing pores.