The three-phase separator was perforated after four years’ service. The perforation position is at the bottom of the vessel under the baffle plate in an oil transfer station. The cause of perforation was investigated by chemical analysis using a direct-reading spectrometer, microstructure examined by optical microscope(OM), and lab simulated corrosion experiments by electrochemical workstation, and the corrosion products examined with scanning electron microscopy(SEM), energy dispersive spectrometer(EDS) in this paper. The analyses indicated that the coating at the base of the pressure vessel failed and this led to the direct exposure of the carbon steel plate to the corrosive medium. The electrical contact between the carbon steel and the stainless steel, sets up a galvanic cell that accelerated the corrosion of the pressure vessel which eventually led leads to the perforation.

The effects of heating rate before solution treatment and cooling rate after solution treatment on the morphological distribution and evolution of precipitation phase of nickel-based single crystal superalloy were studied. The dissolution, precipitation and growth of precipitation phase and matrix phase during heat treatment were analyzed by means of high power scanning electron microscopy. The results show that the morphology of precipitated phase has nothing to do with the distribution of precipitated phase and the heating rate in the heating process, but the cooling rate in the cooling process affects the shape, size and distribution of precipitated phase. The faster the cooling rate, the smaller the precipitated phase is, the more irregular the shape is, the smaller the equivalent edge length is, and the smaller the channel width of matrix phase is.

Knowledge about the formation energies of compounds is essential to derive phase diagrams of multi-component phases with respect to elemental reservoirs. The determination of formation energies using common (semi-)local exchange-correlation approximations of density functional theory (DFT) exhibits well-known systematic errors if applied to oxide compounds containing transition metal elements. In this work, we generalize, reevaluate and discuss a set of approaches proposed and widely applied in the literature to correct for errors arising from the over-binding of the O2 molecule and from correlation effects of electrons in localized transition-metal orbitals. The DFT+U method is exemplarily applied to iron oxide compounds, and a procedure is presented to obtain U values, which lead to formation energies and electronic band gaps comparable to experimental values. Using such corrected formation energies, we derive the phase diagrams for LaFeO3, Li5FeO4 and NaFeO2, which are promising materials for energy conversion and storage devices. A scheme is presented to transform the variables of the phase diagrams from the chemical potentials of elemental phases to those of precursor compounds of a solid-state reaction, which represents the experimental synthesis process more appropriately. The discussed workflow of methods can directly be applied to other transition metal oxides.

The TanDEM-X mission is acquiring a new dataset to provide a temporally independent DEM, called "TanDEM-X Change DEM". This set of acquisitions taken between 2017 and 2020 has a clear temporal separation to the TanDEM-X global DEM data which were acquired between 2010 and 2015. Therefore, this new DEM aims to enable the characterization of terrain changes. Improvements in the acquisition planning and the data processing were necessary to generate this Change DEM with fewer acquisitions but still very high accuracy. For this, the use of an edited TanDEM-X DEM as a "starting point" for the interferometric processing is mandatory.

We study the connection between the phase and the amplitude of the wave function and the conditions under which this relationship exists. For this we use model of particle in a box. We have shown that the amplitude can be calculated from the phase and vice versa if the log Analytical uncertainty relations are satisfied.

Following the development of tyrosine kinase inhibitors (TKI), the survival of patients with chronic myeloid leukaemia (CML) drastically improved. With the introduction of these agents, CML is now considered a chronic disease, for some patients. Taking into consideration the side effects, toxicity, and high cost, discontinuing TKIs became a goal for patients with chronic phase CML. Patients who achieved deep molecular response (DMR) and discontinued TKI, remained in treatment-free remission (TFR). Currently, the data from the published literature demonstrate that 40-60% of patients achieve TFR, with relapses occurring within the first six months. In addition, almost all patients who relapsed regained a molecular response upon re-treatment, indicating TKI discontinuation is safe. However, there is still a gap in the understanding the mechanisms behind TFR, and whether there are prognostic factors that can predict the best candidates who qualify for TKI discontinuation with a view to keeping them in TFR. Furthermore, the information about a second TFR attempt and the role of gradual de-escalation of TKI before complete cessation is limited. This review highlights the factors predicting success or failure of TFR. In addition, it ex-amines the feasibility of a second TFR attempt after the failure of the first one, and the current guidelines concerning TFR in clinical practice.

The aim of this work was to investigate the microstructure and the mechanical properties of la-ser-welded joints combined of DP800 and DP1000 high strength thin steel sheets. The welded joints (WJ) comprised of similar/dissimilar steels with similar/dissimilar thickness were consisted of different zones and exhibited similar microstructural characteristics. The trend of microhard-ness for all WJs was consistent, characterized of the highest value at hardening zone (HZ) and lowest at softening zone (SZ). The degree of softening was more severe and the size of SZ was wider in the WJ combinations of DP1000 than DP800. The tensile test fractures were located at the base material (BM) for all DP800 weldments, while the fractures occurred at the fusion zone (FZ) for the weldments with DP1000 and those with dissimilar sheet thicknesses. The DP800-DP1000 weldment presented similar yield strength (YS) and ultimate tensile strength (UTS) values but lower elongation (EI) in comparison with the DP800-DP800 weldment, which showed similar strength properties as the BM of DP800. However, the EI of DP1000-DP1000 weldment was much lower in comparison with the BM of DP1000. The DP800-DP1000 weldment with dissimilar thicknesses showed the highest YS and UTS values compared with the other weldments, but with the lowest EI. The fatigue fractures occurred at the WJ for all types of weldments. The DP800-DP800 weldment had the highest fatigue limit and DP800-DP1000 with dissimilar thick-nesses had the lowest fatigue limit. The fatigue crack initiated from the weld surface.

In this paper, the deformation and phase transformation of disorder α phase at (α + γ) two phase region in as-forged Ti-44Al-8Nb-(W, B, Y) alloy are investigated by hot compression and hot packed rolling. Detailed microstructural evolution demonstrates that the as-deformed microstructure is significantly affected by deformation conditions. The mircrostructure differences are mainly due to temperature drop and strain rate. The evolution of α lamelae into α grains is detailed descripted. Moreover, the disorder α lamellae can also be decomposed into some new α grains by the assisted decomposition mechanism of γ grains. Microstructure evolution model of current TiAl alloy at 1250 °C during hot rolling is built.

The absorption of medium-chain fatty acids (MCFA) depends on the solubility of these components in the gastric fluid. Parameters such as the total MCFA concentration, carboxyl ionization level, and carbon chain length affect the solubility of these molecules. Moreover, the enzymatic lipolysis of solubilized triacylglycerol (TAG) molecules may depend on the carbon chain length of the fatty acids (FAs) components and their positions on the glycerol backbone. This present study aimed at investigating the effect of electrolyte usually formed during the gastric digestion phase on the solubility of MCFA, and evaluating the influence of the FA carbon chain length on the lipolysis rate during the in vitro digestion simulation. The results obtained here showed that the increasing of electrolyte concentrations tend to decrease the mutual solubility of systems composed by the caproic and caprylic fatty acids + sodium chloride, sodium bicarbonate, and potassium chloride solutions. We also observed that a conventional version of the thermodynamic UNIQUAC model was able to correlate the liquid-liquid phase behavior of the electrolyte solutions. Regarding the in vitro digestion simulation, the experimental data indicated that the action of the pancreatic enzyme occurred preferentially in TAG molecules comprised of short and medium-chain fatty acids.

Immobilized metal affinity chromatography (IMAC) is a popular and valuable method for the affinity purification of polyhistidine-tagged recombinant proteins. However, it often shows practical limitations, which might require cumbersome optimizations, additional polishing, and enrichment steps. Here, we present functionalized corundum particles for the efficient, economical, and fast purification of recombinant proteins in a column-free format. The corundum surface is first derivatized with the amino silane APTES, then EDTA dianhydride, and subsequently loaded with nickel ions. The Kaiser test, well-known in solid-phase peptide synthesis, was used to monitor amino silanization and the reaction with EDTA dianhydride. In addition, ICP-MS was performed to quantify the metal-binding capacity. His-tagged protein A/G (PAG), mixed with bovine serum albumin (BSA), was used as a test system. The PAG binding capacity was around 3 mg protein per gram of corundum. Cytoplasm obtained from different E. coli strains was examined as an example of a complex matrix. The imidazole concentration was varied in the loading and washing buffers. As expected, higher imidazole concentrations during loading are usually beneficial when higher purities are desired. Even when higher sample volumes, such as one liter, were used, recombinant protein down to a concentration of 1 µg/mL could be isolated selectively. Comparing the corundum material with standard Ni-NTA agarose beads indicated higher purities of proteins isolated using corundum. His6-MBP-mSA2, a fusion protein consisting of monomeric streptavidin and maltose-binding protein in the cytoplasm of E. coli, was purified successfully. To show that this method is also suitable for mammalian cell culture supernatants, purification of the SARS-CoV-2-S-RBD His8 expressed in human Expi293F cells was performed. The material cost of the nickel-loaded corundum material (without regeneration) is estimated to be less than 30 cents for 1 gram of functionalized support or 10 cents per milligram of isolated protein. Another advantage of the novel system is the corundum particles' extremely high physical and chemical stability. The new material should be applicable in small laboratories and large-scale industrial applications. In summary, we could show that this new material is an efficient, robust, and cost-effective purification platform for the purification of His-tagged proteins, even in challenging, complex matrices and large sample volumes of low product concentration.

Nonporous corundum powder, known as an abrasive material in the industry, was functionalized covalently with protein binders to isolate and enrich specific proteins from complex matrices. The materials based on corundum were characterized by TEM, ESEM, BET, DLS, and zeta potential measurements. The strong Al-O-P bonds between the corundum surface and amino phosphonic acids are used to introduce functional groups for further conjugations. The common crosslinker glutaraldehyde was compared with a hyperbranched polyglycerol (PG) of around 10 kDa. The latter is oxidized with periodate to generate aldehyde groups that can covalently react with the amines of the surface and the amino groups from the protein via a reductive amination process. The amount of bound protein was quantified via aromatic amino acid analysis (AAAA). This work shows that oxidized polyglycerol can be used as an alternative to glutaraldehyde. With polyglycerol, more of the model protein bovine serum albumin (BSA) could be attached to the surface under the same conditions, and lower nonspecific binding (NSB) was observed. As a proof of concept, IgG was extracted with protein A from crude human plasma. The purity of the product was examined by SDS-PAGE. A binding capacity of 1.8 mg IgG per g of corundum powder was achieved. The advantages of corundum are the very low price, extremely high physical and chemical stability, pressure resistance, favorable binding kinetics, and flexible application.

The entropy of Boltzmann-Gibbs, as proved by Shannon and Khinchin, is based on four axioms, where the fourth one concerns additivity. The group theoretic entropies make use of formal group theory to replace this axiom with a more general composability axiom. As has been pointed out before, generalized entropies crucially depend on the number of allowed number degrees of freedom $N$. The functional form of group entropies is restricted (though not uniquely determined) by assuming extensivity on the equal probability ensemble, which leads to classes of functionals corresponding to sub-exponential, exponential or super-exponential dependence of the phase space volume $W$ on $N$. We review the ensuing entropies, discuss the composability axiom, relate to the Gibbs' paradox discussion and explain why group entropies may be particularly relevant from an information theoretic perspective.

The 8Nb isopleth section of a Ti-Al-Nb system is experimentally determined based on thermal analysis and thermodynamic calculation methods to obtain the phase transformation and equilibrium relations required for material design and fabrication. The phase transus and relations for the 8Nb-TiAl system show some deviations from the calculated thermodynamic results. The ordered βo phase transforms from the disordered β/α phases at 1200–1400 °C over a large Al concentration range, and this transformation is considered to be an intermediate type between the first- and second-order phase transitions. Moreover, the βo phases are retained at the ambient temperature in the 8Nb-TiAl microstructures. The ωo phase transforms from the highly ordered βo phase, rather than from α2 or βo with low degree of atom ordering B2 (LOB2) structure, with Al concentration of 32–43 at.% at approximately 850 °C. From the experimental detection, the transition of the ωo phase from the βo phase is considered to be a further ordering process.

This research presents the design and characteristics of new wideband polarizer based on the square waveguide with irises. Matching and polarization characteristics of the polarizer have been simulated and optimized. Frequency dependences of the characteristics are presented. Developed polarizer can be applied in satellite information systems.

The objective of this paper is to investigate the convergence of coupling-parameter expansion-based solutions to Ornstein-Zernike equation in liquid state theory. The analytically solved Baxter's adhesive hard sphere model is analyzed first using coupling-parameter expansion. It is found that the expansion provides accurate approximations to solutions - including the liquid-vapor phase diagram - in most parts of the phase plane. However, it fails to converge in the region where the model has only complex solutions. Similar analysis and results are, then, obtained using analytical solutions within the mean spherical approximation for the hard-core Yukawa potential. Next, convergence of the expansion is analyzed for the Lennard-Jonnes potential using an accurate density-dependent bridge function in the closure relation. Numerical results are presented which show convergence of correlation functions, compressibility versus density profiles, etc., in the single as well as two phase regions. Computed liquid-vapor phase diagrams, using two independent schemes employing the converged profiles, compare excellently with simulation data. Results obtained for the generalized Lennard-Jonnes potential, with varying repulsive exponent, also compare well with simulation data. All these results together establish the coupling-parameter expansion as a practical tool for studying single component fluid phases modeled via general pair-potentials.

Alterations in the carnitine shuttle system may be an indication of the presence of cancer. As such, in-depth analyses of this pathway in different malignant tumors could be important for the detec-tion and treatment of this disease. The current study aims to assess the profiles of carnitine and acylcarnitines in gliomas with respect to their grade, the presence of isocitrate dehydrogenase (IDH) mutations, and 1p/19q co-deletion. Brain tumors obtained from 19 patients were sampled on-site using solid-phase microextraction (SPME) immediately following excision. Analytes were desorbed and then analyzed via liquid chromatography-high resolution mass spectrometry. The results showed that SPME enabled the extraction of carnitine and 22 acylcarnitines. An analysis of the correlation factor revealed presence of two separate clusters: short-chain and long chain car-nitine esters. Slightly higher carnitine and acylcarnitine concentrations were observed in the higher malignancy tumor samples (high vs low grade), and in those samples with worse projected clinical outcomes (without vs with IDH mutation; without vs with 1p/19q co-deletion). Thus, the proposed chemical biopsy approach offers a simple solution for on-site sampling that enables sample preservation, thus supporting comprehensive multi-method analyses.

The paper describes an algorithm for semantic representation of behavioral contexts relative to a dichotomic decision alternative. The contexts are represented as quantum qubit states in two-dimensional Hilbert space visualized as points on the Bloch sphere. The azimuthal coordinate of this sphere functions as a one-dimensional semantic space in which the contexts are accommodated according to their subjective relevance to the considered uncertainty. The contexts are processed in triples defined by knowledge of a subject about a binary situational factor. The obtained triads of context representations function as stable cognitive structure at the same time allowing a subject to model probabilistically-variative behavior. The developed algorithm illustrates an approach for quantitative subjectively-semantic modeling of behavior based on conceptual and mathematical apparatus of quantum theory.

We experimentally demonstrate enhanced self-phase modulation (SPM) in silicon nitride (Si₃N₄) waveguides integrated with 2D graphene oxide (GO) films. GO films are integrated onto Si₃N₄ waveguides using a solution-based, transfer-free coating method that enables precise control of the film thickness. Detailed SPM measurements are carried out using both picosecond and femtosecond optical pulses. Owing to the high Kerr nonlinearity of GO, the hybrid waveguides show significantly improved spectral broadening compared to the uncoated waveguide, achieving a broadening factor of up to ~3.4 for a device with 2 layers of GO. By fitting the experimental results with theory, we obtain an improvement in the waveguide nonlinear parameter by a factor of up to 18.4 and a Kerr coefficient (n₂) of GO that is about 5 orders of magnitude higher than Si₃N₄. Finally, we provide a theoretical analysis for the influence of GO film length, coating position, and its saturable absorption on the SPM performance. These results verify the effectiveness of on-chip integrating 2D GO films to enhance the nonlinear optical performance of Si₃N₄ devices.

Future, flexible thermal energy conversion systems require new, demand-optimized high-performance materials. The High performance Ferritic (HiperFer) stainless steels, under development at the Institute of Microstructure and Properties of Materials (IEK-2) at Forschungszentrum Jülich GmbH in Germany, provide a balanced combination of fatigue, creep and corrosion resistance at reasonable price. This paper outlines the scientific background of alloy performance development, which resulted in an age-hardening ferritic, stainless steel grade. Furthermore, technological properties are addressed and the potential concerning application is estimated by benchmarking versus conventional state of the art materials.

New class of conserved quantities is constructed. These quantities find direct application in mechanics of dissipative (generally non-conservative) dynamical systems. Approach demands formulation in the language of geometric mechanics, providing theoretical framework for situations with energy flow in and out of the system. As a by product, we suggest possibility of existence of Hamiltonian form for every autonomous ODE system, evolution of which is governed by non-potential generator of motion. Various examples are provided, ranging from physics and mathematics, to chemical kinetics and population dynamics in biology. Applications of these ideas in geometric integration techniques (GNI) of numerical analysis are discussed, and as an example of such, new discrete gradient-based numerical method is introduced.

Although lithium-ion batteries have extensively been used in various applications because of their high energy capacity, fracture and failure, the by-products of large strains and stresses caused by fast charging and discharging need yet to be addressed. The size effects on the mechanical behavior of the nano-sized structures are significant; however, the classical elasticity theory may not consider such effects. On the other hand, surface stress theory, as a robust and potential theory, is suitable in considering size effects in nano-scale structures. Therefore, in this paper, in order to involve the surface stress effects on the fracture behavior of Li-ion batteries, the following steps are taken. Firstly, a phase-field model is used to determine the evolution of the concentration profile. Subsequently, the stress distribution is obtained by using the surface stress theory combined with chemical equations for a planar electrode. Afterward, by using the weight function method for an edge crack in the plate, the stress intensity factor is derived for all time steps and possible crack lengths during the process. It is found that with increasing phase boundary thickness parameter or decreasing phase-separation phenomenon, the surface mechanics parameters become more influential. Furthermore, in the presence of positive surface stress, the diffusion-induced stress distribution decreases, which in turn reduces the stress intensity factor. In addition, in this paper, the two states of surface stress are compared either for elastic or total strain. Concerning stresses and concentrations, the results indicate a big difference at the beginning of the deintercalation process showing, in particular, 2% for stresses, but the differences diminish gradually.

The principles of causality and unitarity are studied within rational nonlinear electrodynamics proposed earlier. We investigate dyonic and magnetized black holes and show that in the self-dual case, when the electric charge equals the magnetic charge, corrections to Coulomb's law and Reissner-Nordstrom solutions are absent. In the case of the magnetic black hole, the Hawking temperature, the heat capacity and the Helmholtz free energy are calculated. It is shown that there are second-order phase transitions and it was demonstrated that at some range of parameters the black holes are stable.

Phase Change Materials (PCMs) are latent heat storage media with high potential of integration in building structures and technical systems. Their solid-liquid transition is commonly utilized for thermal energy storage in building applications. It also means that some kind of encapsulation is necessary. This is often solved with metal containers that also have high thermal conductivity and resistance to mechanical damage enhancing the performance these so called latent heat thermal energy storage (LHTES) systems. However selection of suitable metal is rather challenging. It depends, among other things, on the elimination of undesirable interaction between storage medium and surrounding metal. Heat storage medium must be reliably sealed in metal container especially when the storage system is integrated in systems like domestic hot water storage tanks, where PCM leaks can negatively affect human health. The aim of this study was evaluation of interaction between selected commercially available organic and inorganic PCMs and metals. The evaluation is based on the calculation of corrosion rate and use gravimetric method for determination of the weigh variations of the metal samples. Results show that aluminium is the most suitable container material with lowest mass loss and suffered only minimal visual changes on the surface after prolonged exposure to PCMs.

We study the deterministic dynamics of N point particles moving at constant speed in a 2D table made of two polygonal urns connected by an active rectangular channel, which applies a feedback-control on the particles, inverting the horizontal component of their velocities, when their number in the channel exceeds a fixed threshold. Such a bounce--back mechanism is non-dissipative: it preserves volumes in phase space. An additional passive channel closes the billiard table forming a circuit in which a stationary current may flow. Under specific constraints on the geometry and on the initial conditions, the large N limit allows nonequilibrium phase transitions between homogeneous and inhomogeneous phases. The role of ergodicity in making a probabilistic theory applicable is discussed both for rational and irrational urns. The theoretical predictions are compared with the numerical simulation results. Connections with the dynamics of feedback-controlled biological systems are highlighted.

This paper proposes a novel three-phase voltage source inverter dead-time compensation strategy for accurate compensation in wide current regions of the inverter. In particular, an analysis of the output voltage distortion of the inverter, which appears as parasitic components of the switches, has been conducted for proper voltage compensation in the low current region, and an on-line compensation voltage controller has been proposed. Also, a new trapezoidal compensation voltage implementation method using the current phase is proposed to simplify realizing the trapezoidal shape of the three-phase compensation voltages. Finally, when the proposed dead-time compensation strategy is applied, the maximum phase voltage magnitude in the linear modulation voltage regions is defined to achieve smooth operation even at high modulation index. Simulations and experiments were conducted to verify the performance of the proposed dead-time compensation scheme.

A novel mathematical model is developed to calculate the temperature distribution on the surface and bulk of a steel plate under the laser hardening process. The model starts with the basic heat equation then it is developed into a volumetric form and is connected to the various solid existing phases. The proposed model is based on three influencing parameters of the laser hardening process which are the velocity of the laser spot and irradiation time. The results are compared with the available experimental data reported in the literature. The volumetric model provides an assessment of temperature distribution in both the vertical and horizontal axis. Laser irradiation at sufficiently high fluence can be used to create a solid-state phase change on the surface. Primary calculations show that the temperature profile has a Gaussian distribution in horizontal x and y-axis and presents an exponentially decreasing in the horizontal and vertical depth directions.

In this paper, we investigate the accuracy and robustness of three classes of methods for solving two-phase incompressible flows on a staggered grid. Here, the unsteady two-phase flow equations are simulated by finite volumes and penalty methods using implicit and monolithic approaches (such as the augmented Lagrangian and the fully coupled methods), where all velocity components and pressure variables are solved simultaneously (as opposed to segregated methods). The interface tracking is performed with a Volume-of-Fluid (VOF) method, using the Piecewise Linear Interface Construction (PLIC) technique. The home code Fugu is used for implementing the various methods. Our target application is the simulation of two-phase flows at high density and viscosity ratios, which are known to be challenging to simulate. The resulting strategies of monolithic approaches will be proven to be considerably better suited for these two-phase cases, they also allow to use larger time step than segregated methods.

Helmholtz energy of ice VII-X is determined in a pressure regime extending to 450 GPa at 300 K using local basis functions in the form of b splines. The new representation for the equation of state is embedded in a physics-based inverse theory framework of parameter estimation. Selected pressures as a function of volume from 14 prior experimental studies and two theoretical studies constrain the behavior of Helmholtz energy. Separately measured bulk moduli, not used to construct the representation, are accurately replicated below about 20 GPa and above 60 GPa. In the intermediate range of pressure, the experimentally determined moduli are larger and have greater scatter than values predicted using the Helmholtz representation. Although systematic experimental error in the experimental elastic moduli is possible and likely, the alternative hypothesis is a slow relaxation time associated with changes in proton mobility or the ice VII to X transition. A correlation is observed between anomalies in the pressure derivative of the predicted bulk modulus and previously suggested higher-order phase transitions. Improved determinations of elastic properties at high pressure would allow refinement of the current equation of state. More generally, the current method of data assimilation is broadly applicable to other materials in high-pressure studies.

The growth of solid particles during liquid phase sintering was modeled by the Cellular Automata method. The binary phase diagram and Fickian approach for the diffusion process were applied to simulate the chemical composition variation in liquid and solid phases during sintering. The Oswald-Ripening effect was considered during the dissolution of the solid phase in the liquid phase. It is used to define the probability of solid-phase dissolution by the liquid phase and develop the model to simulate the alloy with solid solubility. So, the microstructure could be modeled in the liquid phase sintering process.

The influence of distant London dispersion forces on the docking preference of alcohols of different size between the two lone electron pairs of the carbonyl group in pinacolone is explored by infrared spectroscopy of the OH stretching fundamental in supersonic jet expansions of 1:1 solvate complexes. Experimentally, no pronounced tendency of the alcohol to switch from the methyl to the bulkier tert-butyl side with increasing size is found. In all cases, methyl docking dominates by at least a factor of two, whereas DFT-optimized structures suggest a very close balance for the larger alcohols, once corrected by CCSD(T) relative electronic energies. Together with inconsistencies when switching from a C4 to a C5 alcohol, this points at deficiencies of the investigated B3LYP and in particular TPSS functionals even after dispersion correction, which cannot be blamed on zero point energy effects. The search for density functionals which describe the harmonic frequency shift, the structural change and the energy difference between the docking isomers of larger alcohols to unsymmetric ketones in a satisfactory way is open.

The importance of genome organization at the supranucleosomal scale in the control of gene expression is increasingly recognized today. In mammals, Topologically Associating Domains (TADs) and the active / inactive chromosomal compartments are two of the main nuclear structures that contribute to this organization level. However, recent works reviewed here indicate that, at specific loci, chromatin interactions with nuclear bodies could also be crucial to regulate genome functions, in particular transcription. They moreover suggest that these nuclear bodies are membrane-less organelles dynamically self-assembled and disassembled through mechanisms of phase separation. We have recently developed a novel genome-wide experimental method, High-salt Recovered Sequences sequencing (HRS-seq), which allows the identification of chromatin regions associated with large ribonucleoprotein (RNP) complexes and nuclear bodies. We argue that the physical nature of such RNP complexes and nuclear bodies appears to be central in their ability to promote efficient interactions between distant genomic regions. The development of novel experimental approaches, including our HRS-seq method, is opening new avenues to understand how self-assembly of phase separated nuclear bodies possibly contributes to mammalian genome organization and gene expression.

Polymers in highly confined geometries can display complex morphologies including ordered phases. A basic component of a theoretical analysis of their phase behavior in confined geometries is the knowledge of the number of possible single-chain conformations compatible with the geometrical restrictions and the established crystalline morphology. While the statistical properties of unrestricted self-avoiding random walks (SAWs) both on and off-lattice are very well known, the same is not true for SAWs in confined geometries. The purpose of this contribution is a) to enumerate the number of SAWs on the simple cubic (SC) and face-centered cubic (FCC) lattices under confinement for moderate SAW lengths, and b) to obtain an approximate expression for their behavior as a function of chain length, type of lattice, and degree of confinement. This information is an essential requirement for the understanding and prediction of entropy-driven phase transitions of model polymer chains under confinement. In addition, a simple geometric argument is presented that explains, to first order, the dependence of the number of restricted SAWs on the type of SAW origin.

Despite multiple classical outcomes arising from the quantum Rayleigh conversions of photons underlying the propagation of optical waves through dielectric media and the ensuing light-matter interactions, this quantum process has been largely ignored. Several of its outcomes are considered in this article from a physical perspective, e.g., inter-quadrature coupling of photons, phase-dependent amplification in optical directional couplers and related polarization rotation, phase-shifting of weak signals in the optically linear regime, location-dependent coupling coefficient for refractive index gratings, etc. A correct identification of these effects will enable useful design and operation of integrated photonic functional devices.

Recently, we developed Komagataella phaffii (formerly Pichia pastoris) as a model for lipophagy, the selective autophagy of lipid droplets (LDs). We found that lipophagy pathways induced by acute nitrogen (N) starvation and in stationary (S) phase have different molecular mechanisms. Moreover, both types of lipophagy are independent of Atg11, the scaffold protein that interacts with most autophagic receptors and, therefore, is essential for most types of selective autophagy in yeast. Since yeast aggrephagy, the selective autophagy of ubiquitinated protein aggregates, is also independent of Atg11 and utilizes the ubiquitin-binding receptor, Cue5, we studied the relationship of K. phaffii Cue5 with differentially induced LDs and lipophagy. While there was no relationship of Cue5 with LDs and lipophagy under N-starvation conditions, Cue5 accumulated on LDs in S-phase and degraded together with LDs via S-phase lipophagy. The accumulation of Cue5 on LDs and its degradation by S-phase lipophagy strongly depended on the ubiquitin-binding CUE domain and Prl1, the positive regulator of lipophagy 1. However, unlike Prl1, which is required for S-phase lipophagy, Cue5 was dispensable for it suggesting that Cue5 is rather a new substrate of this pathway. We propose that a similar mechanism (Prl1-dependent accumulation on LDs) might be employed by Prl1 to recruit another ubiquitin-binding protein that is essential for S-phase lipophagy.

We present a novel method for interpolating univariate time series data. The proposed method combines multi-point fractional Brownian bridges, a genetic algorithm, and Takens’ theorem for reconstructing a phase space from univariate time series data. The basic idea is to first generate a population of different stochastically interpolated time series data, and secondly, to use a genetic algorithm to find the pieces in the population which generate the smoothest reconstructed phase space trajectory. A smooth trajectory curve is hereby found to have a low variance of second derivatives along the curve. For simplicity, we refer to the developed method as PhaSpaSto-interpolation, which is an abbreviation for phase-space-trajectory-smoothing stochastic interpolation. The proposed approach is tested and validated with a univariate time series of the Lorenz system, five non-model data sets and tested against a cubic spline interpolation and a linear linear interpolation. We find that the criterion for smoothness guarantees low errors on known model and non-model data. Finally, we interpolate the discussed non-model data sets, and show the corresponding improved phase space portraits. The proposed method is useful for interpolating low-sampled time series data sets for, e.g., machine learning, regression analysis, or time series prediction approaches.

From the formalism of the thermodynamics of irreversible processes and the theory of complex systems, characterization of longevity and aging and its relationship with the emergence and evolution of cancer was carried out. It was found that: 1. The rate of entropy production can be used as an index of robustness, plasticity, the aggressiveness of cancer, and as a measure of biological age; 2. The aging process, as well as the evolution of cancer, goes through what we have called “biological phase transition”; 3. The process of metastasis, which occurs through epithelial-mesenchymal transition (EMT), appears as a phase transition far from thermodynamic equilibrium and exhibits Shilnikov chaos-like dynamic behavior. This dynamic guarantees the robustness of the process and, in turn, its unpredictability; 4. It was shown that as the ferroptosis process is strengthened, the complexity of the dynamics associated with the emergence and evolution of cancer decreases. The theoretical framework developed contributes to a better understanding of the biophysical-chemical phenomena of longevity and aging and their relationship with cancer.

In this paper, we found new classes of exact models to the Einstein-Maxwell system of equations which describe the internal structure of a compact star made of strange matter considering the equation of state proposed by Rocha, Bernardo, de Avellar and Horvath in 2019. It has been assumed that this matter is composed of equal number of up, down and strange quarks and a small amount of electrons required to reaching the charge neutrality. If this hypothesis is correct, the neutron stars could be strange stars or hybrid stars with a thin crust of nuclei where the temperatures and pressures are capable of converting hadronic matter into this new stable phase of quarks. We have chosen a particular form of gravitational potential Z(x) that depends on an adjustable parameter related to degree of anisotropy of the models and the new solutions can be written in terms of elementary and polynomial functions. The obtained models satisfy all physical features expected in a realistic star and the expressions for mass, density and stellar radius are comparable with the experimental results.

This study proposes an innovative pharmacovigilance approach, VIGI-4, leveraging ChatGPT Teams Pro version. Our method involves aggregating data from all phase 4 studies published in February 2024 to identify adverse reactions. These results are categorized by disease state alphabetically, demonstrating the method's capacity to generate structured and easily navigable outputs. The results section is tailored to exemplify the valuable, actionable insights attainable through our workflow. This research emphasizes the game-changing potential of integrating advanced technologies such as ChatGPT into pharmacovigilance, signaling a new era in safeguarding drug safety.

Gray cast iron is one of the most important engineering materials that has many applications in various industries including automotive and machinery manufacturing due to its mechanical properties, wear resistance, machining potentials and low price. In this research effect of adding aluminum and silicon to composition of gray cast iron on microstructure and wear resistance was studied. Moreover, it was investigated the role of formation of Fe-Al-Si intermetallic compound in final properties of the alloy. For studying wear resistance of samples pin-on-disc method was carried out. The results showed that addition of aluminum to gray cast iron causes formation of ferrite matrix, which leads to a decrease in hardness value. Increasing silicon content up to 2 wt. % in cast iron with 4 wt. % aluminum intensifies the formation of ferrite matrix, while further increase to 3 wt. % causes emerging a Fe-Al-Si intermetallic phase. Improvement in hardness value was achieved by increasing silicon content from 3 wt. % to 4 wt. % due to the increased percentage of intermetallic phase. Effect of intermetallic phase on decreasing wear rate was showed by studying microstructure and hardness values, however the lowest wear resistance was observed in aluminum bearing cast iron containing 2 wt. % silicon.

The phenomenon of dissipative self-organization is studied on the example of time-crystal networks. Particular attention was given to transient processes, attractor topologies, phase transitions, and asymptotic stability. New concepts were introduced, including topological phases, spinorial states, and bond flavors. Concepts such as ground states, chemical potentials, elastic forces, temperature, and statistical distributions were endowed with a new meaning associated with asymptotic stability. Phenomena usually attributed exclusively to quantum physics have been shown to occur in this essentially classical environment. They coexist with, and in some cases, such as charge quantization, are related to the phenomenon of time dilation. The approach was applied to model vacuum self-organization. We have shown that under the ac-tion of competing forces, such as gravity and antigravity, a cascade of phase transitions can transform an unorganized vacuum into phases in which interactions, fields and waves resemble electromagnetic, weak, and strong, and their elements can be used as building blocks for prototype particles. In addition, some interrelation field parameters and probabilities of particle transmutations were calculated, which are not predicted by the standard model. The results are consistent with the experiment. The presented material and methodology may be of interest for studying self-organization in different environments.

The work is devoted to the study of a MEMS resonator dynamics under the action of phase-locked and automatic gain control loops. Particular attention is directed to the study of the nonlinearity factor of the resonator elastic restoring force. It was found that the determination of control system parameters based on the stability analysis of the operating resonant mode, in the general case, does not provide the required phase adjustment and stabilization of the oscillation amplitude. Stable multifrequency modes of oscillations are found, an analytical study of the mechanisms of their appearance and evolution is carried out under variation of the key parameters of the system. The real regions of the control system stable operation are determined (which do not coincide, as was found, with the regions of stability of the operating resonant mode, due to the presence of hidden attractors in the phase space of the system). A methodology has been developed for identifying such areas of stable operation. A significant complication of the structure of possible motions in the system with an increase in the Q-factor of the resonator is revealed.

Phase transitions- both in the classical and in the quantum version- are the perfect playground for appreciating universality at work. Indeed, the fine details become unimportant and a classification in very few universality classes is possible. Very recently, a striking deviation from this picture has been discovered: some antiferromagnetic spin chains with competing interactions show a different set of phase transitions depending on the parity of number of spins in the chain. The aim of this article is to demonstrate that the same behavior also characterizes the most simple quantum spin chain: the Ising model in a transverse field. By means of an exact solution based on a Wigner-Jordan transformation, we show that a first order quantum phase transition appears at zero applied field in the odd spin case, while it is not present in the even case. A hint of a possible physical interpretation is given by the combination of two fact: at the point of the phase transition, the degeneracy of the ground state in the even and the odd case substantially differ, being respectively 2 and 2N, with N the number of spins; the spin of the most favorable kink states changes at that point.

Dynamic phase modulation is vital for tunable focusing, beaming, polarization conversion and holography. However, it remains challenging to achieve full 360∘ dynamic phase modulation while maintaining high reflectance or transmittance based on metamaterials or metasurfaces in the terahertz regime. Here we propose a doubly resonant graphene-metal hybrid metasurface to address this challenge. Simulation results show that by varying the graphene Fermi energy, the proposed metasurface with two shifting resonances is capable to provide dynamic phase modulation covering a range of 361∘ while maintaining relatively high reflectance above 20% at 1.05 THz. Based on the phase profile design, dynamically tunable beam steering and focusing are numerically demonstrated. We expect this work will advance the engineering of graphene metasurfaces for the dynamic manipulation of terahertz waves.

Memristors were proposed in the early ’70s of the XXth century by Leon Chua as a new electrical element linking the charge and the flux. Since that first introduction, these devices have positioned themselves to be considered as possibly fundamental for the new generations of electronic devices. It has to be mentioned that actual memristors have only been recognized to exist as physical elements. In this paper, we apply a modeling framework to generate a model describing experimental measurements performed on a ReRAM. We show how to apply the Dynamic Route Map technique in the general case to obtain an approximation to the differential equation that determines the behaviour of the device.

Together with display and input, storage and processing are requisite to computing. While storage technologies have improved tremendously in capacity and speed over the years, the basic principles enabling information storage into digital 1 and 0 remains the same: induction of phase change in the storage substrate. But recently, there has been much research into structural phase change material (SPCM) and exploration of its possible use in various types of memory storage applications. Despite unconventional use of structural change between amorphous and crystalline state as well as that between crystal structures for encoding information, key barriers for its widespread use remains access speed, capacity to cost ratio, and fidelity of storage. Hence, given the performance requirement of SPCM for memory applications, what are the material and design considerations that feed into translating a promising application into a practical reality? Given the important role of kinetic and thermal energy in structural organization of a phase change material, precise characterization of structural change in the material with external physical factors such as heat, voltage and current, is critical for storage material design. Next comes the precision at which individual memory cells for storing single bits of information could be defined reproducibly and at high fidelity using SPCM. In congruent with memory cell definition lies the equally important aspect of constraining the field characteristics used in modulating the phase state of the memory medium. Specifically, while heat is useful for mediating the “melting” of a crystalline material into its amorphous state, heat conduction is less useful for transferring the “switch command” from the effector to the memory material. More importantly, choice of structural phase change material for memory applications likely revolves around those where individual memory cells could be defined in a cross array format, which is amenable to high density information storage. Durability and fidelity of information storage are additional factors of design that favours selection of SPCM with phase change occurring at narrow operating windows without hysteresis over extended cycling. But, the most important requirement is speed of access. To this end, energetic cost of phase transitions might affect operation of the phase change memory at the system level: for example, usage of large current for high energy transition step may impact on device durability. Ultimately, there is a fundamental limit on the number of reproducible phase transitions in a SPCM before fidelity of information storage is no longer guaranteed. Hence, what are the drivers for uptake of phase change memories in consumer devices? Performance gains must be realized in access speed, storage capacity, form factor, and fidelity of information storage for practical application of structural phase change memories.

Because imbalanced power will cause the loss of the propulsion motor of the railway vehicle, and the increase in temperature will shorten the service life of the electric vehicle. Not only this, but also increase the cost of electricity and maintenance. In the past, the industry only focused on methods to improve power quality such as load capacity, relay setting, and harmonic resolution. Now, the consider of three-phase unbalance rate (TPUR) must be applied. I propose special transformers wiring (STW) to improve the three unbalance rates and provide different transformer wiring methods. According to the IEEE Committee, in the future, power companies will need to install balanced relay stations to improve three-phase unbalance rate. the internal regulations of Taipower must be less than 4.5% (voltage unbalance rate (NPSUR)of 2.5% and motor temperature rise of 12.5%). the derivation of the transformer "three-phase unbalance rate" model is the focus of the railway system. This research is based on the model derivation of different wiring methods to improve the hot problem caused by the three-phase imbalance and improve the service life of the train. And pointed out that Scott, Le-Blanc, Modified-Woodbridge three wiring methods can be applied to future railway system routes to improve the three-phase unbalance rate, in line with the IEEE standard of less than 2%.

One objective of this paper is to investigate bifurcation of solutions of Ornstein-Zernike equation in liquid state theory for the gas-liquid coexistence region of simple fluids. The analysis uses a discrete form of the Ornstein-Zernike equation in real space, together with a closure relation which provides nearly self consistent thermodynamic properties of fluids governed by interaction potentials like the Lennard-Jones potential. Accurate asymptotic forms of correlation functions are incorporated in the real space algorithm so as to mitigate the influence of cutoff length used in the discrete approximations. It is found that there is no spinodal on the vapor side on a sub-critical isotherm. But there are fold bifurcation points on the vapor and liquid sides together with a 'no-real-solution-region' in between. This is followed by a region of negative compressibility extending up to the spinodal on the liquid side. The emerging picture is quite similar to that in the case of the hypernetted-chain-closure. It is also found that complex solutions connect the physical solutions that exist outside the 'no-real-solution-region' as well as in region of negative compressibility. The second objective of the paper, in the light of bifurcation scenario, is to evolve an interpretation of the coupling-parameter expansion of correlation functions pertaining to the region of negative compressibility. It is shown that the expansion provides an accurate description of results of the restricted ensembles, implied in mean field theories and simulation methods. Bifurcation of singlet density to inhomogeneous distributions at a spinodal is also established using a simple equation, which uses the direct correlation function. Thus the paper reestablishes the fact that restriction to a homogeneous singlet density is the root cause of all inconsistencies found in the gas-liquid coexistence region.

Multinuclear NMR studies of the gaseous mixtures that involve volatile compounds and ³He atoms are featured in this review. Precise analyses of the ³He and other nuclei resonance frequencies show linear dependences on the gas density. Extrapolation of the gas phase results to the zero-pressure limit gives ν₀(³He) and ν₀(ⁿX) resonance frequencies of nuclei in a single 3-helium atom and nuclei in molecules at a given temperature. The NMR frequency comparison method provides an approach for determining different nuclear magnetic moments. Application of quantum chemical shielding calculations which include a more complete and careful theoretical treatment allows the shielding of isolated molecules to be achieved with great accuracy and precision. They are used for evaluation of nuclear moments without shielding impact on bare nuclei: ^10/11B, ¹³C, ¹⁴N, ¹⁷O, ¹⁹F, ²¹Ne, ²⁹Si, ³¹P, ³³S, ^35/37Cl, ³³S , ⁸³Kr, ^129/131Xe, and ¹⁸³W. On the other hand, new results of nuclear moments were used for reevaluation of absolute nuclear magnetic shielding in molecules under study. Additionally, ³He gas in water solutions of lithium and sodium salts was used for measurements of ^6/7Li and ²³Na magnetic moments and reevaluation of shielding parameters of Li⁺ and Na⁺ water solvated cations. In this paper, guest ³He atoms that play a role in probing the electron density in many host macromolecules are presented as well.

In humans, age-associated degrading changes are observed in molecular and cellular processes underly the time-dependent decline in spatial navigation, time perception, cognitive and psy-chological abilities, and memory. Cross talk of biological, cognitive, and psychological clocks provides an integrative contribution to healthy and advanced aging. At the molecular level, ge-nome, proteome, and lipidome instability are widely recognized as the primary causal factors in aging. We narrow attention to the roles of protein aging linked to prevalent amino acids chirali-ty, enzymatic and spontaneous (non-enzymatic) post-translational modifications (PTMs SP), and non-equilibrium phase transitions. The homochirality of protein synthesis, resulting in the steady-state non-equilibrium condition of protein structure, makes them prone to multiple types of enzymatic and spontaneous PTMs, including racemization and isomerization. Spontaneous racemization leads to the loss of the balanced prevalent chirality. Advanced biological aging re-lated to irreversible PTMs SP has been associated with the nontrivial interplay between poor so-matic and mental health conditions. Through stress response systems (SRS), the environmental and psychological stressors contribute to the age-associated “collapse” of protein homochirality. The role of prevalent protein chirality and entropy of protein folding in biological aging is mainly overlooked. In a more generalized context, the time-dependent shift from enzymatic to the non-enzymatic transformation of biochirality might represent an important and yet un-der-appreciated hallmark of aging.

In this paper, 6063 aluminum alloy for common building profiles is used as the research object. By adding a new Al-Ti-C-La composite alloy, the effect of 6063 aluminum alloy on the microstructure and properties of 6063 aluminum alloy is studied. The results show that Al-Ti-C-La composite alloy has obvious effect on grain refinement of 6063 aluminum alloy. With the addition of Al-Ti-C-La composite alloy, the grain size decreased significantly. When the addition amount of Al-Ti-C-La composite alloy is 1%, the grain size is reduced from 482 μm to 121 μm. Rare earth La is mainly distributed near the Mg2Si phase and β-AlFeSi, and complex compounds such as AlFeSiMgLa are formed. After aging for 270 days on the basis of T6 heat treatment, the tensile strength and elongation of 6063 aluminum alloy augmented with the addition of Al-Ti-C-La composite alloy, and the Vickers hardness gradually diminished. When the addition amount of Al-Ti-C-La composite alloy is 1%, the tensile strength, elongation and Vickers hardness of 6063 aluminum alloy reach 177.2 MPa, 17.8% and 60.9 HV, respectively, and the tensile strength is increased by 16.3%. The elongation is increased by 50.8%, the Vickers hardness is reduced by 15.4%, and the fracture of the alloy is mainly ductile fracture.

This paper reports on the fabrication of alumina doped preforms using MCVD-vapor phase chelate delivery system with Al(acac)3 as the precursor. The objectives of the work are to study the deposition process, the efficiency of the fabrication process, and the quality of the fabricated fiber preforms. Two parameters are studied, Al(acac)3 sublimator temperature (TAl°C) and deposition direction (i.e. downstream and upstream). Other parameters such as oxygen flow and deposition temperature are fixed. The results showed that a high uniformity of refractive index difference (%RSD < 2%) and core size (%RSD < 2.4%) was obtained along the preform length using downstream deposition while for the combined upstream and downstream deposition the uniformity was deteriorated. The process efficiency was found to be about 21% for TAl°C of 185°C and downstream deposition. From the EDX elemental analysis, the refractive index was found to increase by 0.0025 per mole percent of alumina.

How does the human neurophysiological system self-organize to achieve optimal phase relationships among joints and limbs, such as in the composite rhythms of butterfly and front crawl swimming, drumming, or dancing? We conducted a systematic review of literature relating to CNS control of phase among joint/limbs in continuous rhythmic activities. SCOPUS and Web of Science were searched using keywords ‘Phase AND Rhythm AND Coordination’. This yielded 998 matches from which 23 papers were extracted for inclusion based on screening criteria. The empirical evidence arising from in-vivo, fictive, in-vitro, and modelling of neural control in humans, other species, and robots indicates that the control of movement is facilitated and simplified by innervating muscle synergies by way of spinal central pattern generators (CPGs). These typically behave like oscillators enabling stable repetition across cycles of movements. This approach provides a foundation to guide the design of empirical research in human swimming and other limb independent activities. For example, future research could be conducted to explore whether the two-layer CPG model proposed by Saltiel et al [1] to explain locomotion in cats might also explain the complex relationships among the cyclical motions in human swimming.

To overcome the two-phase flow instability of traditional boiling heat dissipation technologies, a porous wick was used for liquid-vapor isolation, thus realizing efficient and stable boiling heat dissipation. A pump-assisted capillary phase-change loop with methanol as working medium was established to study the effect of liquid-vapor pressure difference and heating power on its start-up and steady-state characteristics. The results indicated that the evaporator undergoes four heat transfer modes including flooded, partial flooded, thin film evaporation and overheating. The thin film evaporation mode was the most efficient one with the shortest start-up period. Besides, the heat transfer modes were determined by liquid-vapor pressure difference and power. The heat transfer coefficient could be significantly improved and the thermal resistance could be reduced by increasing liquid-vapor pressure difference as long as it did not exceed 8 kPa. However, when the liquid-vapor pressure difference exceeded 8kPa, its influence on the heat transfer coefficient weakened. In addition, a two-dimensional heat transfer mode distribution diagram considering both liquid-vapor pressure difference and power was drawn through a great number of experiments. During engineering application, the liquid-vapor pressure difference can be controlled to maintain efficient thin film evaporation in order to achieve the optimum heat dissipation effect.

Rapid solidification during metal additive manufacturing (AM) leads to non-equilibrium microsegregation, which can result in the formation of detrimental phases and cracking. Most of the microsegregation models, assume a Scheil-type solidification, where the solidification interface is planar and there exists local equilibrium at the interface along with either zero or infinite solute diffusion in the respective participating phases - solid and liquid. This assumption leads to errors in prediction. One has to account for finite solute diffusion and the curvature at the dendritic tip for more accurate predictions. In this work, we compare different microsegregation models that do and do not consider finite diffusion and dendrite tip kinetics against the experiments. We also propose a method to couple dendrite tip kinetics with the diffusion module (DICTRA®) implemented in Thermo-Calc®. The models which accounted for both finite diffusion and dendrite tip kinetics matched well with the experimental data.

Low-loss photonic waveguides in lithium niobate offer versatile functionality as nonlinear frequency converters, switches, and modulators for integrated optics. Combining the flexibility of laser processing with liquid phase epitaxy we have fabricated and characterized lithium niobate channel waveguides on lithium niobate and lithium tantalate. We used liquid phase epitaxy with K2O flux on laser-machined lithium niobate and lithium tantalate substrates. The laser-driven rapid-prototyping technique can be programmed to give machined features of various sizes, and liquid phase epitaxy produces high quality single-crystal, lithium niobate channels. The surface roughness of the lithium niobate channels on a lithium tantalate substrate was measured to be 90 nm. The lithium niobate channel waveguides exhibit propagation losses of 0.26 ± 0.04 dB/mm at a wavelength of 633 nm. Second harmonic generation at 980 nm was demonstrated using the channel waveguides, indicating that these waveguides retain their nonlinear optical properties.

We show broadband sum-frequency generation (SFG) in the Green-Yellow-Orange-Red spectral range using bismuth triborate, BiB3O6 crystal (BIBO) as nonlinear material. We perform a noncollinear phase-matching configuration within BIBO crystal using the remaining light behind the second harmonic generation stage and the infrared idler of an optical parametric amplifier (OPA). The obtained mixing radiation of ultrafast light sources to generate femtosecond pulses across 520.5 to 742.5 nm region is observed. SFG spectrum from single-pass cross-correlation intensity over such visible range is showed. The SFG wavelengths as a function of tunable wavelength idler OPA agrees with the expectations of parametric conversion condition and open the door to practical multi-beam or multi-color sum-frequency generators.

Four-wire low voltage microgrids supply one-phase consumers with continuously changing electricity demand. For addressing climate change concerns, governments implemented incentive schemes for residential consumers, encouraging the installation of home PV panels for covering self-consumption needs. In the absence of sufficient storage capacities, the surplus is sold back by these entities, called prosumers, to the grid operator or in local markets, to other consumers. While these initiatives encourage the proliferation of green energy resources, and ample research is dedicated to local market designs for prosumer-consumer trading, the main concern of distribution network operators is the influence of power flows generated by prosumer surplus injection on the operating states of microgrids. The change in power flow amount and direction can greatly influence the economic and technical operating conditions of radial grids. This paper proposes a metaheuristic algorithm for prosumer surplus management that optimizes the power surplus injections using the automated control of three-phase inverters, with the aim of improving the active power losses and balancing the phase voltage profiles. A case study is performed on two real distribution networks with distinct layouts and load profiles and the algorithm shows its efficiency in both scenarios.

Metasurfaces of gold (Au) nanoparticles on a SiO2-Si substrate were fabricated for the enhancement of second harmonic generation (SHG) using electron beam lithography and lift-off. Triangular Au nanoprisms which are non-centro-symmetric and support the second- order non-linearity were examined for SHG. The thickness of the SiO2 spacer is shown to be an efficient parameter to spectrally tune to maximise SHG. Electrical field enhancement at the fundamental wavelength was shown to define the intensity of the second harmonics. Numerical modeling of light enhancement was verified by experimental measurements of SHG and reflectivity spectra at the normal incidence. At the plasmonic resonance, SHG is enhanced up to ∼3.5×103 times for the optimised conditions.

Based on the sensitive sum frequency generation cross-correlation frequency-resolved optical gating (SFG-XFROG) measurement setup, besides the pulse broadening, blue shift, red shift and obvious pulse acceleration, we observed the soliton evolution when the low energy soliton pulse with wavelength of 1555nm transmit through the Si photonic crystal waveguide. The measurements were nicely matched with the simulation results, which are achieved with an optimized nonlinear Schrödinger equation (NLSE) modeling. The effects of various parameters of the silicon photonic crystal waveguides and the incident pulses on the pulse transmission were also analyzed, including the nonlinear effects and dispersion such as the self-phase modulation (SPM), self-steepening (SS) and intra-pulse Raman scattering(IRS). The results help us understand further the ultra-fast nonlinear dynamics of soliton in silicon-based waveguides, and even open a novel way for soliton-based functional elements in CMOS-compatible platforms.

Considering the fault "N-1" checksum and the power flow, the single-phase power flow model is further transformed into a three-phase power flow model, and the asymmetry of the three-phase power flow is measured by the three-phase unbalance factor. The calculation model is linearized by the second-order cone relaxation and the Big-M method. At the same time, the load response and distribution network reconstruction are used to improve the reliability of the power supply network to cope with the power failure. The relationship between power supply capability and power flow constraints, main transformer capacity and distributed power parameters is analyzed by IEEE 33-node three-phase power distribution system. The feasibility of the proposed model and the accuracy of the second-order cone relaxation are verified by numerical examples, which provides a technical reference for distribution network planning.

Liquid manipulation by photoisomerization attracts recent attentions as a new active droplet control method for micro-chemical analysis. Such a non-inverse manipulation can be realized by a use of solution liquid of surfactant that exhibits the \emph{cis}-\emph{trans} isomerization triggered by light irradiation with a specific wavelength such as ultraviolet light. Since the isomerization is accompanied by changes in fluid properties, a light irradiation on one of liquid-air interfaces of a liquid column in a tube would generate differences in the wettability accompanied between the both sides of the finite liquid column. Although this technique has been demonstrated experimentally by Muto et al. (\emph{Euro.~Phys.~J.~Special Topics}, {\bf 226}, 2016, 1199--1205), its dynamics and developments of each isomer distribution are not understood. In order to reveal the liquid-column migration phenomenon, we have performed numerical simulations of air-liquid two-phase flows and its scalar transport of the isomer, using the Volume-of-Fluid method in conjunction with the Continuum-Surface-Force model and Continuous-Species-Transfer method. We validated present results by comparison with experimental result in terms of the migration distance of the liquid column. We confirmed a termination of the liquid-column migration occurs when the \emph{cis} isomer distribution reaches the non-irradiated region. The migration speed was less dependent on the liquid-column length and was proportional to the tube diameter.

In many practical applications, it is more convenient to characterize the quality of production processes or service operations throughout the count of nonconformities. In the context of SPC, nonconformities are usually assumed to appear according to the binomial probability model. The conventional way for monitoring nonconformities involves Shewhart-type control procedures based on both constant and time-varying sample sizes. In this article, an EWMA scheme is proposed for monitoring the fraction of nonconforming items with time-varying sample sizes. The proposed control chart is referred to as the EWMAG-B and can be easily adapted to work with a constant sample size by fixing it at a needed value. By means of simulation, it was found out that the EWMAG-B chart outperforms the conventional p control chart in Phase II while detecting changes in the process level is wanted.

In the last years, the Distribution Grid Operators (DGOs) assumed transition strategies of the distribution grids towards an active area associated with the "Smart Grids" concept. They are considering the use of Artificial Intelligence techniques, combined with advanced technologies and real-time remote communication solutions of the enormous data amounts, to develop smart solutions into the small size distribution grids, also called microgrids (μGs). These solutions will provide support for the DGOs to ensure an optimal operation of the technical infrastructure of the μGs. In this context, a bi-level methodology for solving the phase load balancing problem in the μGs with complex topologies and a high number of single-phase consumers, considering a clustering-based selection criterion of the consumers for placement of the switching devices, was proposed in the paper. A real μG from a rural area, with 114 consumers integrated into the Smart Metering System (SMS), belonging to the DGO from Romania, was considered in testing the proposed methodology. An implementation degree of 17.5%, corresponding to the phase load balancing equipment installed to only 20 consumers from the μG, led to a faster computational time with 43% and reducing the number of switching operations by 92% than in the case of a full implementation degree (100%). The performance indicators related to the unbalance factor and energy-saving used in the evaluation of the technical benefits highlighted the efficiency of the proposed methodology.

The first objective of this paper is to investigate the scaling behavior of liquid-vapor phase transition in FCC and BCC metals starting from the zero-temperature four-parameter formula for cohesive energy. The effective potentials between the atoms in the solid are determined using lattice inversion techniques as a function of scaling variables in the above formula. These potentials are split into repulsive and attractive parts as per the Weeks-Chandler-Anderson prescription, and used in the coupling-parameter expansion for solving the Ornstein-Zernike equation supplemented with an accurate closure. Thermodynamic quantities obtained via the correlation functions are used to obtain critical point parameters and liquid-vapor phase diagrams. Their dependence on the scaling variables in the cohesive energy formula are also determined. Equally important second objective of the paper is to revisit coupling parameter expansion for solving the Ornstein-Zernike equation. The Newton-Armijo non-linear solver and Krylov-space based linear solvers are employed in this regard. These methods generate a robust algorithm that can be used to span the entire fluid region, except very low temperatures. Accuracy of the method is established by comparing the phase diagrams with those obtained via computer simulation. Avoidance of the 'no-solution-region' of Ornstein-Zernike equation in coupling-parameter expansion is also discussed. Details of the method and the complete algorithm provided here would make this technique more accessible to researchers investigating thermodynamic properties of one component fluids.

Downwind odor characteristics can be very different depending upon the size of the upwind point-source, interim topography, and wind conditions. At one extreme, the downwind odor plume from a relatively large, confined animal feeding operation (CAFO), located on a flat open plain and under stable, near-straight-line wind conditions can be rather broad, sustained and predictable relative to a fixed receptor site downwind. In contrast, the plume from a small point-source (e.g., a roof vent stack) located on irregular topography and under rapidly shifting wind conditions can be intermittent and fleeting. These transient odor events can be surprisingly intense and offensive, in spite of their fleeting occurrence and perception. This work reports on efforts to optimize an environmental odor sampling strategy, which is optimized for the challenges of (1) sampling of such transient odor 'spikes' and (2) the prioritization of odors/odorants from multiple, closely co-located point-sources, under such transient event conditions. Protocol refinement has emerged by way of 2 environmental odor assessment projects which have been undertaken on behalf of the Missouri Department of Natural Resources. The challenge of transient odor events has been mitigated utilizing rapid, odor cued whole-air grab capture sampling into metalized-FEP gas sampling bags, followed by immediate adsorption transfer onto SPME fibers or sorbent tubes for stabilization during the shipment and storage interval between collection and final analysis. Initial results demonstrated approximately 11 fold increases in target odorant yields for 900 mL sorbent tube transfers from 2-3 second 'burst' odor event bag-captures, as compared to equivalent direct collections at the same downwind receptor location but during perceived (stable) odor 'lull' periods. Results-to-date targeting refinement and field trials of this integrated environmental odor assessment strategy are presented. Preliminary application targeting general odor sampling and point-source differentiation utilizing tracer gases is also presented.

We study the hadron-quark hybrid equation of state (EOS) of compact-star matter. The Nambu—Jona-Lasinio (NJL) local SU(3) model with vector-type interaction is used to describe the quark matter phase, while the relativistic mean field (RMF) theory with scalar-isovector $\delta$-meson effective field adopted to describe the hadronic matter phase. It is shown that the larger the vector coupling constant, the lower the threshold density for the appearance of strange quarks. For a sufficiently small value of the vector coupling constant, the functions of the mass dependence on the baryonic chemical potential have regions of ambiguity which leads to a phase transition in non-strange quark matter with an abrupt change in the baryon number density. We show that within the framework of the NJL model, the hypothesis on the absolute stability of strange quark matter is not realized. In order to describe the phase transition from hadronic matter to quark matter, the Maxwell's construction is applied. It is shown that the greater the vector coupling, the greater the stiffness of the EOS for quark matter and the phase transition pressure. Our results indicate that the infinitesimal core of the quark phase, formed in the center of the neutron star, is stable.

Crouch gait is a motor complication commonly associated with cerebral palsy, spastic diplegia, stroke, and motor-neurological pathologies, broadly defined as knee flexion in excess of 20° in the gait cycle. Uncorrected crouch gait results in fatigue, joint degradation, and loss of ambulation. Torsion springs have been used in cycling to store energy in knee flexion to reduce fatigue in the quadriceps during knee extension. SolidWorks was used to design a passive exoskeleton for the knee, incorporating torsion springs of stiffnesses 20,000 N/mm and 30,000 N/mm at the knee joint to correct four different crouch gaits. OpenSim was used to gather data from moments produced and knee angles from each crouch gait and the normal gait. Motion analysis of the exoskeleton was simulated using knee angles for each crouch gait and compared with moments produced with the normal gait moments in the stance phase of the gait cycle. All crouch gait moments were significantly reduced, and the correction of peak crouch moments was achieved corresponding to the normal gait cycle during the stance phase. These results offer significant potential for nonsurgical and less invasive options for wearable exoskeletons in crouch gait correction.

Polymeric microparticles of polyethyleneglycol-polylactic acid-co-glycolic acid (PEG-PLGA) are widely used as drug carriers for a variety of applications due to their unique characteristics. Herein, we developed a novel method for the synthesis of uniformly sized microparticles via coaxial flow-phase separation. The study evaluated the effect of various process parameters on microparticle size and polydispersity including polymer concentration, stirring rate, surfactant concentration, and the organic/aqueous phase flow rate and volume ratio. The results demonstrated that stirring rate and polymer concentration had the most significant impact on the mean particle size and distribution whereas surfactant concentration had the most substantial impact on the morphology of particles. Several microparticle formulations yielding particle sizes in the range of (5-50 µm), morphology, and concentration were synthesized as a demonstration of the tunability and scalability of this method. Notably, by controlling the process parameters microparticles of less than ~ 7 μm could be made using polymer concentrations varying by an order of magnitude. Finally, we demonstrated the tunability and scalability of this method by showing a 10-fold increase in encapsulation efficiency, a 3-fold increase in drug loading of a model hydrophilic drug, and modified release kinetics in microparticle formulations of comparable sizes but different polymer concentrations.

It is widely, but not universally, believed that the lipids of the plasma membrane are not uniformly distributed, but that "rafts'' of sphingolipids and cholesterol float in a "sea'' of unsaturated lipids. The physical origin of such heterogeneities is often attributed to a phase coexistence between the two different domains. We argue that this explanation is untenable for several reasons. Further we note that the results of recent experiments are inconsistent with this picture. However they are quite consistent with an alternate explanation, namely that the plasma membrane is an emulsion of the two kinds of regions. To show this, we briefly review a simplified version of this theory and its phase diagram. We also explicate the dependence of the predicted domain size on four physical parameters. Among them are the spontaneous curvature of the membrane and its bending modulus and surface tension. Taking values of the latter two from experiment, we obtain domain sizes for several different cell types that vary from 58 to 88 nm.

This paper discusses the basic concepts of phase dislocations and vortex formation in the electric fields of fundamental air core mode of hollow core waveguides with specific types of rotational symmetry of the core – cladding boundary. Analysis of the behavior of the electric field phase in the transmission bands shows that the mechanism of light localization in the hollow core waveguides with discrete rotational symmetry of the core – cladding boundary cannot be completely described by the ARROW model. For an accurate description of the phase behavior, it is necessary to account for phase jumps of the magnitude of π when passing through the phase dislocations.

In the author's opinion, many global problems that face humanity - in the fields of education, medicine, management etc can be tackled more effectively if the cyclic nature of self-reproducing systems – including living beings – is taken into account. Summarizing the main physiological findings of the last decades on "adaptation reactions", one can very roughly say that the way of action which is effective in the sense of productive activity of people happens at the same time to be healthy, and it gives the participants of the process the feeling of happiness. The present paper represents a very short overview of the contemporary concepts of the adaptation reactions based on the fundamental understanding of their cyclic nature due to general properties of self-reproducing systems. One interesting feature of self-reproduction cycles is its first "phase of orientation" which was not discussed in detail in the past but plays a key role in the whole cycle.

Analytical solutions for radiation dominated phase of Quasi Steady State Cosmology in Friedmann-Robertson-Walkar models are obtained. We find that matter density is positive in all the cases (k = 0,-1,1). The nature of Hubble parameter (H) in [0,2] is discussed. The deceleration parameter (q) is marginally less than zero indicating accelerating universe. The scale factor (S) is graphically shown with time. The model represents oscillating universe between the above mentioned limits. Because of bounce in QSSC, the maximum density phase is still matter dominated. The models represent singularity free model. We also find that the models have event horizon i.e. no observer beyond the proper distance rH can communicate each other in FRW mdels for radiation dominated phase in the frame work of QSSC. The FRW models are special classes of Bianchi type I, V, IX space-times with zero, negative and positive curvatures respectively. Initially i.e. at  = 0, the model represents steady model. We have tried to show how a good fit can be obtained to the observations in the framework of QSSC during radiation dominated phase.

Alginate-gelatin hydrogels are extensively used in bioengineering. However, despite different formulations being utilized for growing different cell types in vitro, their pH and its effect, together with the crosslinking ions, of those formulations are still infrequently assessed. In this work we studied how these elements can affect hydrogel stability and printability and influence U2OS and NIH/3T3 cell viability and metabolism on the resulting 3D prints. In this context, 6% alginate + 2% gelatin hydrogels were prepared with 0.1 M MES buffer with pH 5.5, 6.5, 7.0 or 8.0, printed by extrusion-based 3D printing, and crosslinked immediately after printing with either CaCl2 or BaCl2. Our results showed that both the buffer pH and the crosslinking ion (Ca2+ or Ba2+) influence the swelling and degradation rates of the prints. Moreover, the buffer pH influenced the printability of the hydrogel in air, but when printed directly in a fluid-phase CaCl2 or BaCl2 crosslinking bath. In addition, both U2OS and NIH/3T3 cells showed greater cell metabolic activity on one-layer prints crosslinked with Ca2+. Besides, Ba2+ increased cell death of NIH/3T3 cells while had no effect on the U2OS cell viability. The pH of the buffer also caused an important impact on the cell behaviour. U2OS cells showed a 2.25-fold cell metabolism increase on one-layer prints prepared at pH 8.0 in comparison to those prepared at pH 5.5. Whereas, NIH/3T3 cells showed greater metabolism on one-layer prints with pH 7.0. Finally, we observed a difference on cell arrangement of the U2OS cells growing on prints prepared from hydrogels with acidic buffer in comparison to cells growing on those prepared using neutral or basic buffer. These results show that both pH and crosslinking ion influence hydrogel strength and cell behaviour.

Different aspects in applying the nucleation theorem to the description of crystallization of liquids are analyzed. It is shown that, by employing the classical Gibbs' approach in the thermodynamic description of heterogeneous systems and assuming that the basic assumptions of classical nucleation theory commonly employed in application to crystallization hold, a general form of the nucleation theorem can be formulated valid not only for one-component but generally for multi-component systems. This result is taken then as the starting point for the derivation of particular forms of this theorem for the cases that the deviation from equilibrium is caused by variations of either composition of the liquid phase, temperature, or pressure. In this procedure, recently developed by us expressions for the curvature dependence of the surface tension, respectively, the dependence of the surface tension on pressure and/or temperature are employed. It is shown that the formulation of the nucleation theorem as proposed by Kashchiev [J. Chem. Phys. 76, 5098-5102 (1982)] holds also for multi-component systems as far as mentioned above assumptions are fulfilled. In the application of classical nucleation theory to crystallization processes it is assumed as one of its basic ingredients that the bulk properties of the critical clusters are widely identical to the properties of the newly evolving crystal phase. This assumption is, however, in general, it is not true. This limitation of the theoretical description can be overcome by the application of the generalized Gibbs approach for the specification of the dependence of the properties of critical crystal clusters on the degree of metastability of the liquid phase. Applying this method, it is demonstrated that a similar formulation of the nucleation theorem as derived based on classical nucleation theory holds true also in cases when a dependence of the state parameters of the critical clusters on the degree of deviation from equilibrium is appropriately accounted for.

The fluid seepage in local-saturated zone of subgrade promotes the migration of fine particles in the filler, resulting in the change of pore structure and morphology of the filler and the deformation of solid skeleton, which affects the fluid seepage characteristics. Repeatedly, the muddy interlayer, mud pumping and other diseases are finally formed. Based on the theory of two-phase seepage, the theory of porous media seepage, and the principle of effective stress in porous media, a two-phase fluid-solid coupling mathematical model in local-saturated zone of subgrade considering the effect of fine particles migration is established. The mathematical model is numerically calculated with the software COMSOL Multiphysics○R, the two-phase seepage characteristics and the deformation characteristics of the solid skeleton in local-saturated zone of the subgrade are studied. The research results show that due to the continuous erosion and migration of fine particles in local-saturated zone of the subgrade, the volume fraction of fine particles first increases then decreases and finally becomes stable with the increase of time. And the volume fraction of fine particles for the upper part of the subgrade is larger than that for the lower part of the subgrade. The porosity, the velocity of fluid, the velocity of fine particles, and the permeability show a trend of increasing first and then stabilizing with time; the pore water pressure has no significant changes with time. The vertical displacement increase first and then decrease slightly with the increase of time, and finally tend to be stable. For a filler with a larger initial volume fraction of fine particles, the maximum value of the volume fraction of fine particles caused by fluid seepage is larger, and the time required to reach the maximum value is shorter. It can be concluded that in actual engineering, the volume fraction of fine particles in the subgrade filler should be minimized on the premise that the filler gradation meets the requirements of the specification.

Within the spectrum of a natural image, the amplitude of modulation decreases with spatial frequency. The speed of such an amplitude decrease, or the amplitude spectrum slope, of an image affects the perceived aesthetic value. Additionally, a human observer would consider a symmetric image more appealing than they do an asymmetric one. We investigated how these two factors jointly affect aesthetic preferences by manipulating both the amplitude spectrum slope and the symmetric level of images to assess their effects on aesthetic preference on a 6-point Likert scale. Our results showed that the preference ratings increased with the symmetry level but had an inverted U-shape relation to amplitude spectrum slope. In addition, a strong interaction existed between symmetry level and amplitude spectrum slope on preference rating, in that symmetry can amplify the amplitude spectrum slope’s effects. Such effects can be described by a quadratic function of the spectrum slope. That is, preference is an inverted U-shape function of spectrum slope whose intercept is determined by the number of symmetry axis. In addition, the interaction between the two factors is manifested as the modulation depth of the quadratic function.

In the perspective of designing complex concentrated alloys (CCAs) for structural applications, sigma (σ) phase is important. It is generally known to be an embrittling phase leading to a degradation in the mechanical properties of CCAs. This necessitates detailed investigations on the evolution of σ phase in these alloys. In the present study, an equiatomic CoCrCuMnNi CCA is chosen, in which σ phase appears at 800°C, as reported in a recent publication [1]. To this end, the present investigation aims at understanding the evolution of this phase so that its presence can be controlled for the purpose of preventing degradation in mechanical properties. In the present work, a vacuum arc melted alloy, after homogenisation (at 400°C for 5h), is heat-treated for different times ranging from 1 to 9h at 800°C followed by water quenching. Extensive characterisation has been carried out using X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) techniques to understand the sequence of σ phase precipitation at 800°C.

The term deviation frequency denotes the boundary between the variable part of the amplitude and phase scintillation spectrum and the part of uninformative noises. We suggested the concept of the “characteristic deviation frequency” during the observation period which is defined as the most probable value of the deviation frequency under current local conditions. This work is a case study of the characteristic deviation frequency (fd) registered for GPS, GLONASS, Galileo and SBAS signals under quiet and weakly disturbed geomagnetic conditions in April 2021 at the mid-latitude GNSS station. Our results demonstrated that the fd value for all signal components of GPS, GLONASS and GALILEO signals varied within 15-22 Hz. The characteristic deviation frequency was 20 Hz for the mentioned GNSS signals. In difference, the deviation frequency was limited within 13-20 Hz for SBAS with the lower characteristic deviation frequency at 18 Hz. We assume that the concept of the characteristic deviation frequency can be used to determine the optimal sampling rate of the GNSS carrier phase data for the ionospheric studies. The characteristic deviation frequency can also characterize the state of the regular trans-ionospheric radio channel.

It has recently been discovered that mere cell contact by human cytomegalovirus (CMV) particles leads to profound modulation of cellular gene expression. Reduced monocyte human leukocyte antigen (HLA-DR) expression is a novel biomarker of severity and outcome in many diseases. Modulation of CD14 protein by CMV was shown in vitro, but little is known about the phenomenon in vivo (during active cytomegalovirus disease). Therefore, we investigated monocyte CD14 and HLA-DR expression in CMV infected patients in relation to logarithmic phase of infectious process. Samples from patients with active CMV replication (exponential growth of CMV viremia) were tested. After CD45/SSC gating monocyte CD14 and HLA-DR expression were determined by double-color flow-cytometry. Significant monocytosis and poor correlation between CMV replication and CD14+HLA-DR(-) cells prompted CD14 investigation. During logarithmic phase of CMV infection increased count and percentage of CD14low monocytes were observed which correlated with viral replication in several clinical situations except when there was a rapid recovery without relapse. Furthermore, most of CD14low monocytes are HLA-DR+. The increase of CD14low monocytes is also observed under the influence of high dose of glucocorticoids (20 mg of dexamethasone). The reduction in CD14 induced by CMV and dexamethasone indicates that the monocyte balance is disturbed between the classical and non-classical phenotype. A high percentage of CD14lowHLA-DR+ probably gives rise to adaptive and a decrease of innate immune response. In light of the logarithmic increase of viral load (with exponent between 3,23 and 5,77), high monocytosis above 1200 / µl is a hallmark of CMV replication.

Abstract: The quantitative analysis of the chromatographic behavior of basic compounds was performed in silico. The liquid chromatography (LC) data measured with pentyl-, hexenyl-, and octyl-bonded silica gels were analyzed in silico employing model phases. The main retention force was the van der Waals (VW) interaction, and the main desorption force was an electrostatic (ES) interaction. The contribution of hydrogen bonding (HB) was weak compared to that for acidic compounds. The quantitative explanation was achieved utilizing the calculated VW, HB, and ES energy values obtained from a molecular mechanics program. The electron localization was observed at the molecular interaction-site calculated MOPAC program. This fundamental approach was like that of explaining chemical reactions. The difference was electron localization in chromatography or electron transfer in a chemical reaction.

This paper discovers that current canonical variational principle and canonical Noether theorem of (in)finite freedom systems for different physics systems have neglected doublet extreme value processes of the general extreme value functional that both is derived by variational principle and is necessarily be taken in deriving all ( quantum ) physics laws in phase space, but which have not been done for over one century since Noether's showing her distinguished theorem, which lead to the crisis deriving all (quantum) physics laws (necessary) in phase space. We discover there is the hidden logic cycle that people assume canonical equations, and then they finally deduce canonical equations by the equivalent relation in the whole processes in all current references. We correct the current key mistake concepts that when physics systems take the variational extreme values, the appearing processes of the physics systems are real physics processes, otherwise, are virtual processes in all current references. The real physics should be what after taking the physics systems' variational extreme values, the physics systems' general extremum functional needs to further take the general extremum functional's minimum absolute extremum zero, otherwise, the appearing processes of physics systems still are virtual processes. Conservation current equations and conservation currents, in phase space, of general canonical variational principle and general canonical Noether theorem are, respectively, deduced for the first time. Using the general extremum functionals' doublet extreme value processes, the hidden logic cycle and the crisis in current canonical variational principle and current canonical Noether theorem are solved. Consequently, the new mathematical pictures, classical and quantum new physics in phase space and the new mathematical and physical doublet extremum processes for (in)finite freedom systems are discovered. General canonical variational principle and general canonical Noether theorem naturally are given, which would rewrite all the different sciences in phase space, as key tools of studying and dealing with them.

It was recently shown that urban networks might exhibit two different critical points, one for the percolation of congested links through the network, and another one for the flow of vehicles through the network. It was observed that the percolation critical point happens after the flow critical point, where network throughput is maximized. This result is important because if a causal relationship exists between these two processes, it can be leveraged for improving control methods to avoid network collapse. This paper presents the results of numerical experiments to understand the possible causal relationship between the percolation and flow processes by focusing on the relative timing between the two critical points. The goal is to understand the impacts of important factors such as: (i) urban network type: long- and short-block networks, (ii) signal timing control type: fixed, random, responsive, and (iii) route choice: turning proportions at intersections. We find that the threshold density $k^*_c$ to determine if a link is congested has the main impact on the timing of the percolation transition, where lower values trigger earlier transitions. This implies that $k^*_c$ can be set such that the percolation transition happens before the flow critical point, opening the door for improved congestion management strategies. If $k^*_c$ is set to the average network critical density, maximum network throughput happen simultaneously with the percolation transition. Surprisingly, it appears that these results, and more generally, the relationship between the percolation and flow processes is independent of (i) and (ii) above.

Liquid-liquid phase separation (LLPS) of proteins has been found ubiquitously in eukaryotic cells, critical in the controlling of many biological processes through forming a temporary condensed phase with different bimolecular components. TDP-43 is recruited to stress granules in cells and is the main component of TDP-43 granules and proteinaceous amyloid inclusions in patients with amyotrophic lateral sclerosis (ALS). TDP-43 low complexity domain (LCD) is able to demix in solution forming the protein condensed droplets. The molecular interactions regulating its LLPS were investigated at the protein fusion equilibrium stage, where the droplets stopped growing. We found the molecules in the droplet were still liquid-like but with enhanced intermolecular helix-helix interaction in the LCD. The protein would start to aggregate after about 200 minutes of lag time and aggregate slower than at the condition when the protein does not phase separate or the molecules have a reduced intermolecular helical interaction. A structural transition intermediate towards protein aggregation was also discovered involving a decrease of the intermolecular helix-helix interaction and a reduction in the helicity. Therefore, LLPS and the intermolecular helical interaction could help maintain the stability of TDP-43 LCD.

Phase synchronization of weakly coupled limit cycle oscillators are related to the stability of the zero solution of the reduced-order dynamics of phase differences, represented by a systems of differential equations on a hypertorus. Using Rantzer's density function, a dual form of Lyapunov function, we propose a method to certify almost global stability of an equilibrium on a hypertorus. We show that the proposed method can certify robustness of phase synchronization of all-to-all and weakly coupled limit cycle oscillators with respect to disturbances in phases. The method leverages sum of squares polynomial optimization to construct the certification function.

The present study was aimed at revealing the influence of the mechanical stress induced by water molecules adsorption on the composition of crystalline phases in the ZrO2–3mol%Y2O3-nanoparticles. Three basic methods have been used to determine the phase transition: neutron diffraction, Raman microspectroscopic scanning, and X-ray diffraction. The fact of phase-structural β → α transformation and the simultaneous presence of two polymorphic structural modifications (β is the phase of the tetragonal syngony and α of monoclinic syngony in nanosized particles (9nm)) under normal physical conditions was established by these methods. Satisfactory consistency was achieved between the results obtained using different techniques.

The product is a centrifugal air extractor, whose objective is to extract the stale air of SARS-CoV-2 or Covid-19 (Coronavirus); designed for civil and commercial use, it works with a single-phase alternating current (AC) motor of 220 (V) and 50 (Hz), with high energy efficiency (EE). Developed under the Design Thinking methodology, by electromechanical simulation using NI Multisim 14.0 software, case design using Cfturbo 2020 R2.0 CAD software, and rapid 3D prototyping with the OverLord Pro printer; with a prototype of the conventional stator winding of a synchronous motor with a two-pole PMSM/IPM single-phase alternating current (AC) field winding and a 4000 (Gauss) ferromagnetic ceramic magnet rotor. Innovating online nº 15 of invention patent nº 381968 by Nikola Tesla, 5/1/1888.One of the objectives is to link the middle level or Technical Schools with the University system (and careers with a Technological profile) through Project B374 located in the Secretariat of Science and Technology (SCyT) of the National University of La Plata ( UNLP), whose title is: “Integrated Management of Design and Innovation. Contributions for a theoretical-conceptual and methodological review” by the Director: Mg. Federico del Giorgio Solfa. Just as links were sought with the Research and Development Laboratory of the Department of Industrial Design (LIDDI-FBA-UNLP) through its Director D.I. Pablo Ungaro and D.I. Ana Bocos. In 2021, the project participated in the INNOVAR National Contest of the Ministry of Science, Technology and Productive Innovation of the Nation (MINCYT), Argentine Republic; in the "Covid-19 Projects" category, having been selected in the catalog of innovative products, won the 1st. "Covid-19 Projects" position of the National Agency for Research and Technological Development and local innovation (R+D+i) dependent on MINCYT.The results showed, according to the analysis of the test bench, that the PMSM/IPM type synchronous motor used in the centrifugal fan, with the innovation of the reactance-inductive control in series plus the capacitor in parallel, reduces the power by 67% (Watts) and active energy consumption (kWh), performing 56% more mechanical work (Joules) on the fluid air (with a 50% reduction in carbon footprint). Which leads us to the following conclusion: it is possible to develop centrifugal fans that save electricity (kWh) without the need to resort to (1) the "Fan Affinity Law", nor (2) the use of variable speed drives (VDF) or frequency (which are devices with complex and expensive electronics). Which would bring an enormous saving of the cost of electrical energy.

A triangular lattice model for pattern formation by core-shell particles at fluid interfaces is introduced and studied for the particle to core diameter ratio equal to 3. Repulsion for overlapping shells and attraction at larger distances due to capillary forces are assumed. Ground states and thermodynamic properties are determined analytically and by Monte Carlo simulations for soft outer- and stiffer inner shells, with different decay rates of the interparticle repulsion. We find that thermodynamic properties are qualitatively the same for slow and for fast decay of the repulsive potential, but the ordered phases are stable for temperature range depending strongly on the shape of the repulsive potential. More importantly, there are two types of patterns formed for fixed chemical potential - one for a slow and another one for a fast decay of the repulsion at small distances. In the first case two different patterns - for example clusters or stripes - occur with the same probability for some range of the chemical potential. For fixed concentration, an interface is formed between two ordered phases with the closest concentration, and the surface tension takes the same value for all stable interfaces. In the case of degeneracy, a stable interface cannot be formed for one out of four combinations of the coexisting phases, because of a larger surface tension. Our results show that by tuning the architecture of a thick polymeric shell, many different patterns can be obtained for sufficiently low temperature.

We show that the van der Waals gas does not exhibit just the celebrated liquid-gas 1 transition but also a quantum-classical one. We study the issue with reference to the LMC statistical 2 complexity and in relation to the order-disorder contrast.

The present work reports an experimental thermodynamic study of two nitrogen heterocyclic organic compounds, fenclorim and clopyralid, that have been used as herbicides. The sublimation vapor pressures of fenclorim (4,6-dichloro-2-phenylpyrimidine) and of clopyralid (3,6-dichloro-2-pyridinecarboxylic acid) were measured, at different temperatures, using a Knudsen mass-loss effusion technique. The vapor pressures of both crystalline and liquid (including supercooled liquid) phases of fenclorim were also determined using a static method based on capacitance diaphragm manometers. The experimental results enabled accurate determination of the standard molar enthalpies, entropies and Gibbs energies of sublimation for both compounds and of vaporization for fenclorim, allowing a phase diagram representation of the (p,T) results, in the neighborhood of the triple point of this compound. The temperatures and molar enthalpies of fusion of the two compounds studied were determined using differential scanning calorimetry. The standard isobaric molar heat capacities of the two crystalline compounds were determined at 298.15 K, using drop calorimetry. The gas phase thermodynamic properties of the two compounds were estimated through ab initio calculations, at the G3(MP2)//B3LYP level, and their thermodynamic stability was evaluated in the gaseous and crystalline phases, considering the calculated values of the standard Gibbs energies of formation, at 298.15 K.

Hf1-xZrxO2 (HZO) thin films are versatile materials suitable for advanced ferroelectric semiconductor devices. Previous studies have shown that the ferroelectricity of HZO thin films, can be stabilized by doping them with group III elements at low concentrations. While doping with Y improves the ferroelectric properties, there has been limited research on Y-HZO thin films fabricated using atomic layer deposition (ALD). In this study, we investigated the effects of Y doping cycles on the ferroelectric and electrical properties of as-deposited Y-HZO thin films with vaying compositions fabricated through ALD. The Y-HZO thin films were stably crystallized without the need for post-thermal treatment and exhibited transition behavior depending on the Y-doping cycle and initial composition ratio of the HZO thin films. These Y-HZO thin films offer several advantages, including enhanced dielectric constant, leakage current density, and improved endurance. Moreover, the optimized Y-doping cycle induced a phase transformation that resulted in Y-HZO thin films with improved ferroelectric properties, exhibiting stable behavior without fatigue for up to 1010 cycles. These as-deposited Y-HZO thin films show promise for applications in semiconductor devices that require high ferroelectric properties, excellent electrical properties, and reliable performance with a low thermal budget.

In this review, we trace the evolution of the quantum spin-wave theory treating non-collinear spin configurations. Non-collinear spin configurations are consequences of the frustration created by competing interactions. They include simple chiral magnets due to competing nearest-neighbor (NN) and next-NN interactions and systems with geometry frustration such as the triangular antiferromagnet and the Kagomé lattice. We review here spin-wave results of such systems and also systems with the Dzyaloshinskii-Moriya interaction. Accent is put on these non-collinear ground states which have to be calculated before applying any spin-wave theory to determine the spectrum of the elementary excitations from the ground states. We mostly show results from a self-consistent Green’function theory to calculate the spin-wave spectrum and the layer magnetizations at finite T in two and three dimensions as well as in thin films with surface effects. Some new unpublished results are also included. Analytical details and the validity of the method are shown and discussed.

Based on electromagnetic heat transfer and metal phase transformation co-simulations, we modeled an AISI 1045 specimen under high-frequency heat treatment. Hardening zone predictions were confirmed through cooling and metal phase transformation simulations after obtaining the results from electromagnetic heat transfer simulations. The cooling process was modeled by applying the cooling coefficient of the cooling water in the same way as the actual heat-treatment process. To obtain the current flowing through the coil during high-frequency induction heating, the voltage was measured and applied using the resistance–inductance–capacitance circuit calculation method. Experimental and simulated results of the heating temperature and curing depth of an AISI 1045 specimen with a carbon content of 0.45% were compared; the comparison indicated good agreement between the two. Using the simulation results, we established a method for obtaining the current flowing through the induction coil for predicting the extent and depth of the hardening zone during high-frequency induction heat treatment.

The silanol activity and trace metal detection methods for chemically bonded silica gels were evaluated in silico. Test compounds with large molecular sizes may demonstrate negative results because of the possibility of indirect hydrogen bonding via short alkyl groups or siloxane of the silica gels. This hypothesis was based on the observation of weak hydrogen bonding energy values similar to those observed in the study of the alkyl group effect on the hydrogen bonding of alkanols. Consequently, smaller molecules may be a better choice for the analysis of bonded-phase quality.

Scientific advancements in the food industry have resulted in the discovery of natural substances that can serve various functions in food. Essential oils, in particular, can act as food preservatives or flavoring agents due to their abundance of natural antioxidants, which possess preservative properties. In this study, the composition of Thymus vulgaris essential oil was determined using GC-MS and HS-SPME. The essential oil obtained from Thymus vulgaris L. through hydro-distillation yielded approximately 4%. GC/MS analysis of the essential oil identified 11 components, with a predominant presence of oxygenated monoterpenes (56.97%). Notably, carvacrol (37.63%) and thymol (17.35%) were present in significant amounts, accounting for 54.98% of the overall composition. The in vitro antioxidant activity of the essential oil was evaluated using three methods. The DPPH free radical scavenging test yielded an IC50 of 0.51±0.11 mg mL-1. The β-carotene/linoleic acid bleaching test resulted in an IC50 of 2.58±0.10 mg mL-1. Finally, the ABTS assay indicated relatively lower antioxidant activity compared to ascorbic acid.

Nickel-base superalloys like VDM 780 may possess a high content of Cr and Co. This influences solution energies of phase-forming elements like Al and Ta (γ′-phase), Nb (γ′′- and δ-phase), and Ti (η-phase). We perform density functional theory studies of a nickel matrix at 0 K with high concentrations of either Co and Cr and calculate the influence of these elements on solution energies. In the case of Co, the solution energy can be predicted well by the nearest-neighbor interaction in the Co-rich matrix. For Cr, the effect is more complicated because Cr has a larger ionic radius and changes the magnetic state of the material. The effect of a Cr-rich matrix on the energy of Co is dominated by magnetic effects, interactions with the other elements by elastic deformation of the lattice.

A Hayward black hole and magnetically charged black hole based on rational nonlinear electrodynamics with the Lagrangian ${\cal L} = -{\cal F}/(1+2\beta{\cal F})$ (${\cal F}$ is a field invariant) are considered. It was shown that the metric function in both models possesses a de Sitter core without singularities as $r\rightarrow 0$. The behavior of the Hawking temperature and the heat capacity in these models are similar. The phase transitions take place when the Hawking temperature has the maximum, and black holes are thermodynamically stable at some event horizon radii when the heat capacity is positive. We show that the source of gravity in the Hayward model is questionable.

Healthcare professionals and resource planners can use healthcare delivery process mining to ensure the optimal utilisation of scarce healthcare resources when developing policies. Within hospitals, patients' Length of Stay (LOS) and volume of admitted patients, in terms of number and characteristics (age, gender, and social deter-minants), are significant factors determining daily resource requirements. In this study, we used Coxian phase-type Distribution (C-PHD) based Phase-Type Survival (PTS) trees for analysing how covariates such as admission date, gender, age, district, and admissions source influence the admission rate and LOS distribution. PTS trees. This study used a two-year data set (2011-2012) of patients admitted to the Emergency Department at Mater Dei Hospital to generate models and an independent one-year data set (2013) of patients admitted to the Emergency Department at Mater Dei Hospital to evaluate. The PTS tree effectively clusters patients based on their LOS, considering the prognostic significance of different covariates related to patients' characteristics. Charac-terising these covariates provided meaningful results about LOS. Similarly, the PTS tree was used to effectively cluster patients based on the admission rate, considering the prognostic significance of these covariates.

We develop an 1/n expansion method for the systematic approxi- mation of the solutions of classical spin systems (tri-dimensional vec- tors) which can describe general spin-spin interactions and phases with complex magnetization pattern. This method is applied to study the phase transitions observed in pyrochlore crystals (e.g. Gd₂ Ti₂ O₇ ) and the results have qualitative agreement with the experimental ones.

Continuous-variable quantum key distribution (CV-QKD) shows potential for the rapid development of an information-theoretic secure global communications network; however, the complexities of CV-QKD implementation remain a restrictive factor. Machine learning (ML) has recently shown promise in alleviating these complexities. ML has been applied to almost every stage of CV-QKD protocols, including ML-assisted phase error estimation, excess noise estimation, state discrimination, parameter estimation and optimization, key sifting, information reconciliation, and key rate estimation. This survey provides a comprehensive analysis of the current literature on ML-assisted CV-QKD. In addition, the survey compares the ML algorithms assisting CV-QKD with the traditional algorithms they aim to augment, as well as providing recommendations for future directions for ML-assisted CV-QKD research.

Although there are a large number of databases available for regulatory elements, bottleneck has been created by the lack of bioinformatics tools for predicting types of mechanisms underlying actions of regulatory elements. To reduce the gap, we developed ARabidopsis Transcription regulatory Factor Domain-domain interaction Analysis Tool- Liquid-liquid phase separation (LLPS), Oligomerization, GO analysis (ART FounDATion-LOG), a useful toolkit for protein-nucleic acid interactions (PNI) and protein-protein interactions (PPI) analysis based on domain-domain interaction (DDI). LLPS, protein oligomerization, structural properties of protein domains, and protein modifications are major components in orchestrating spatio-temporal dynamics of PPI and PNI. Our goal is to integrate PPI/PNI information into development of prediction model for identifying important genetic variants in peach. The program unified inter-database relational keys by protein domains for facilitating inference from the model species. Key advantage of the program lies in the integrated information of related features: LOG, structural characterization of domain (e.g. domain linker, intrinsically disordered regions, DDI, domain-motif (peptide) interaction, beta-sheet and transmembrane helices), and post-translational modification. We provided simple tests to demonstrate how to use the program. The program may be applied to other eukaryotic organisms. The program codes and data are freely available for download at and https://sourceforge.net/projects/artfoundation-log/.