ARTICLE | doi:10.20944/preprints202206.0135.v1
Subject: Earth Sciences, Geophysics Keywords: applied geophysics; digital signal processing; enhancement of sharpness of 3D-GPR datasets; 2D Fourier interpolation; GPR data densification
Online: 9 June 2022 (04:30:02 CEST)
INT-FFT algorithm presented in this work uses an interpolation methodology to densify 3D-GPR datasets to sharpen images obtained in GPR surveys obtained in an archaeological context. It allows the reconstruction of missing data from the combined use of mathematical transforms (e.g., the Fourier and Curvelet transform) and predictive filters. This technique makes it possible to calculate the missing signal simply by meeting two requirements: the data in the frequency domain must be limited in a range of values and must be able to be represented by a distribution of Fourier coefficients (verified conditions). The INT-FFT algorithm uses an open-access routine (Suinterp, Seismic Unix) to interpolate the GPR profiles based on seismic trace interpolation. This process uses automatic event identification routines by calculating spatial derivatives to identify discontinuities in space by detecting very subtle changes in the signal, thus allowing for more efficient interpolation without artifacts or signal deterioration. We successfully tested the approach using GPR datasets from the Roman Villa of Horta da Torre (Fronteira, Portugal). The results show an increase in the geometric sharpness of the GPR reflectors and have not produced any numerical artifacts. The tests performed to apply the methodology to GPR-3D data allowed for assessing the interpolation efficiency, the level of recovery of missing data, and the level of information lost when one chooses to increase the distance between profiles in the acquisition stage of the data.
REVIEW | doi:10.20944/preprints201804.0150.v1
Subject: Physical Sciences, Condensed Matter Physics Keywords: Spatially resolved ARPES; 2D materials; Band structure; Graphene; Transition metal dichalcogenides; 2D heterostructures
Online: 11 April 2018 (13:43:50 CEST)
In this paper a perspective on the application of spatially- and Angle- Resolved PhotoEmission Spectroscopy (ARPES) for the study of two-dimensional (2D) materials is presented. ARPES allows the direct measurement of the electronic band structure of materials generating extremely useful insights into their electronic properties. The possibility to apply this technique to 2D materials is of paramount importance because these ultrathin layers are considered fundamental for future electronic, photonic and spintronic devices. In this review an overview of the technical aspects of spatially localized ARPES is given along with a description of the most advanced setups for laboratory and synchrotron-based equipment. This technique is sensitive to the lateral dimensions of the sample, therefore a discussion on the preparation methods of 2D material is presented. Some of the most interesting results obtained by ARPES are reported in three sections including: graphene, transition metal dichalcogenides (TMDCs) and 2D heterostructures. Graphene has played a key role in ARPES studies because it inspired the use of this technique with other 2D materials. TMDCs are presented for their peculiar transport, optical and spin properties. Finally, the section featuring heterostructures highlights a future direction for research into 2D material structures.
REVIEW | doi:10.20944/preprints202008.0683.v1
Subject: Materials Science, Surfaces, Coatings & Films Keywords: friction; wear; 2D nanomaterials; tribology
Online: 30 August 2020 (18:13:34 CEST)
The exfoliation of graphene has opened a new frontier in material science with a focus on 2D materials. The unique thermal, physical and chemical properties of these materials have made them one of the choicest candidates in novel mechanical and nano-electronic devices. Notably, 2D materials such as graphene, MoS2, WS2, h-BN, and Black Phosphorus have shown outstanding lowest frictional coefficients and wear rates, making them attractive materials for high-performance nano-lubricants and lubricating applications. The objective of this work is to provide a comprehensive overview of the most recent developments in the tribological potentials of 2D materials. At first, the essential physical, wear, and frictional characteristics of the 2D materials including their production techniques are discussed. Subsequently, the experimental explorations and theoretical simulations of the most common 2D materials are reviewed in regards to their tribological applications such as their use as solid lubricants and surface lubricant nano-additives. The effects of micro/nano textures on friction behavior are also reviewed. Finally, the current challenges in tribological applications of 2D materials and their prospects are discussed.
ARTICLE | doi:10.20944/preprints202202.0128.v1
Online: 9 February 2022 (09:48:46 CET)
Integrated photonic devices operating via optical nonlinearities offer a powerful solution for all-optical information processing, yielding processing speeds that are well beyond that of electronic processing as well as providing the added benefits of compact footprint, high stability, high scalability, and small power consumption. The increasing demand for high-performance nonlinear integrated photonic devices has facilitated the hybrid integration of novel materials to address the limitations of existing integrated photonic platforms, such as strong nonlinear optical absorption or an inadequate optical nonlinearity. Recently, graphene oxide (GO), with its large optical nonlinearity, high flexibility in altering its properties, and facile fabrication processes, has attracted significant attention, enabling many hybrid nonlinear integrated photonic devices with improved performance and novel capabilities. This paper reviews the applications of GO to nonlinear integrated photonics. First, an overview of GO’s optical properties and the fabrication technologies needed for its on-chip integration is provided. Next, the state-of-the-art GO nonlinear integrated photonic devices are reviewed, together with comparisons of the nonlinear optical performance of different integrated platforms incorporating GO. Finally, the challenges and perspectives of this field are discussed.
ARTICLE | doi:10.20944/preprints202103.0021.v1
Subject: Physical Sciences, Acoustics Keywords: 2D materials; kerr optical nonlinearity; dichalcogenides
Online: 1 March 2021 (13:52:05 CET)
As a novel layered noble metal dichalcogenide material, palladium diselenide (PdSe2) has attracted wide interest due to its excellent optical and electronic properties. In this work, a strong third-order nonlinear optical response of 2D PdSe2 films is reported. We conduct both open-aperture (OA) and closed-aperture (CA) Z-scan measurements with a femtosecond pulsed laser at 800 nm to investigate the nonlinear absorption and nonlinear refraction, respectively. In the OA experiment, we observe optical limiting behaviour originating from large two photo absorption (TPA) in the PdSe2 film of β = 3.26 ×10-8 m/W. In the CA experiment, we measure a peak-valley response corresponding to a large and negative Kerr nonlinearity of n2 = -1.33×10-15 m2/W – two orders of magnitude larger than bulk silicon. In addition, the variation of n2 as a function of laser intensity is also characterized, with n2 decreasing in magnitude when increasing incident laser intensity, becoming saturated at n2 = -9.96×10-16 m2/W at high intensities. Our results show that the extraordinary third-order nonlinear optical properties of PdSe2 have strong potential for high-performance nonlinear photonic devices. Keywords: 2D materials, PdSe2 films, Z-scan technique, Kerr nonlinearity, nonlinear photonics.
REVIEW | doi:10.20944/preprints202111.0334.v1
Subject: Engineering, Electrical & Electronic Engineering Keywords: 2D materials; integrated devices; fabrication techniques; heterostructures
Online: 18 November 2021 (15:00:46 CET)
With compact footprint, low energy consumption, high scalability, and mass producibility, chip-scale integrated devices are an indispensable part of modern technological change and development. Recent advances in two-dimensional (2D) layered materials with their unique structures and distinctive properties have motivated their on-chip integration, yielding a variety of functional devices with superior performance and new features. To realize integrated devices incorporating 2D materials, it requires a diverse range of device fabrication techniques, which are of fundamental importance to achieve good performance and high reproducibility. This paper reviews the state-of-art fabrication techniques for the on-chip integration of 2D materials. First, an overview of the material properties and on-chip applications of 2D materials is provided. Second, different approaches used for integrating 2D materials on chips are comprehensively reviewed, which are categorized into material synthesis, on-chip transfer, film patterning, and property tuning / modification. Third, the methods for integrating 2D van der Waals heterostructures are also discussed and summarized. Finally, the current challenges and future perspectives are highlighted.
ARTICLE | doi:10.20944/preprints201811.0063.v1
Subject: Earth Sciences, Geophysics Keywords: finite-difference algorithm; magnetotelluric; 2D structures; modeling
Online: 2 November 2018 (14:03:46 CET)
A finite-difference approach with non-uniform meshes was presented for simulating magnetotelluric responses in 2D structures. We presented the formulation of this scheme and gave some sights into its successful implementation, and compared finite-difference solution with known numerical results and simple analytical solutions. First, a homogeneous half-space model was tested and the finite-difference approach can provide very good accuracy for 2D magnetotelluric modeling. Then we compared to the analytical solutions for the two-layered model, the relative errors of the apparent resistivity and the impedance phase were both increased when the frequency was increased. In the end, we compare our finite-difference simulation results with COMMEMI 2D-0 model with the finite-element solutions. Both results are in close agreement to each other. These comparisons confirm the validity and reliability of our finite-difference algorithm.
ARTICLE | doi:10.20944/preprints201807.0575.v1
Subject: Keywords: 2D RLW equation; 2D BBM equation; ansatz; series expansion method based on Sine-Gordon equation; traveling wave solution
Online: 30 July 2018 (10:00:20 CEST)
Four methods in two different families have been constructed to derive the exact solutions to Benjamin-Bona-Mahony equation in two space dimensions. Simply defined hyperbolic tangent, hyperbolic secant and hyperbolic cosecant ansatzes and the expansion method based on the Sine-Gordon equation in two dimensions are directly substituted into the governing ODE reduced from the two dimensional BBM equation. Classical algebraic method is used to find the relations among the target parameters representing the nonzero coefficients in the predicted solutions and the wave transform parameters. Some complex and real solutions have been constructed in explicit forms.
ARTICLE | doi:10.20944/preprints202210.0015.v1
Subject: Physical Sciences, Optics Keywords: Integrated photonics; 2D material; nonlinear optics; supercontinuum generation
Online: 4 October 2022 (10:10:29 CEST)
Enhanced supercontinuum generation (SCG) is experimentally demonstrated in integrated silicon nitride (Si3N4) waveguides incorporating highly nonlinear graphene oxide (GO) in the form of two-dimensional (2D) films. On-chip integration of the 2D GO films with precise control of their thickness is realized by using a transfer-free and layer-by-layer coating method. The control of the film length and coating position is achieved via window opening in the upper silica cladding of the photonic integrated chips. Detailed SCG measurements are performed using the fabricated devices with different waveguide geometries and GO film thicknesses, and the results are compared with devices without GO. Significantly improved spectral broadening of ultrashort optical pulses with ultrahigh peaks powers exceeding 1000 W is observed for the hybrid devices, achieving up to 2.4 times improvement in the spectral bandwidth relative to devices without GO. Theoretical analyses for the influence of GO film thickness, coating length, coating position, and waveguide geometry are also provided by fitting the experimental results with theory, showing that there is still significant room for further improvement. This work opens up a promising new avenue towards improving the SCG performance of photonic integrated devices by incorporating functional 2D materials.
Online: 9 November 2020 (11:18:34 CET)
The Kerr nonlinear optical performance of silicon nanowire waveguides integrated with 2D layered graphene oxide (GO) films is theoretically studied and optimized based on experimentally measured linear and nonlinear optical parameters of the GO films. The strong mode overlap between the silicon nanowires and highly nonlinear GO films yields a significantly enhanced Kerr nonlinearity for the hybrid waveguides. A detailed analysis for the influence of waveguide geometry and GO film thickness on the propagation loss, nonlinear parameter, and nonlinear figure of merit (FOM) is performed. The results show that the effective nonlinear parameter and nonlinear FOM can be increased by up to ≈52 and ≈79 times relative to bare silicon nanowires, respectively. Self-phase modulation (SPM)-induced spectral broadening of optical pulses is used as a benchmark to evaluate the nonlinear performance, examining the trade-off between enhancing Kerr nonlinearity and minimizing loss. By optimizing the device parameters to balance this, a high spectral broadening factor of 27.6 can be achieved ‒ more than 6 times that achieved in previous experiments. Finally, the influence of pulse chirp, material anisotropy, and the interplay between saturable absorption and SPM is also discussed. These results provide useful guidance for optimizing the Kerr nonlinear optical performance of silicon waveguides integrated with 2D layered GO films.
Subject: Physical Sciences, Optics Keywords: Graphene oxide; 2D materials; flat optics; integrated photonics
Online: 21 September 2020 (04:23:31 CEST)
With superior optical properties, high flexibility in engineering its material properties, and strong capability for large-scale on-chip integration, graphene oxide (GO) is an attractive solution for on-chip integration of two-dimensional (2D) materials to implement functional integrated photonic devices capable of new features. Over the past decade, integrated GO photonics, representing an innovative merging of integrated photonic devices and thin GO films, has experienced significant development, leading to a surge in many applications covering almost every field of optical sciences. This paper reviews the recent advances in this emerging field, providing an overview of the optical properties of GO as well as methods for the on-chip integration of GO. The main achievements made in GO hybrid integrated photonic devices for diverse applications are summarized. The open challenges as well as the potential for future improvement are also discussed.
ARTICLE | doi:10.20944/preprints201810.0095.v1
Subject: Physical Sciences, Applied Physics Keywords: 2D materials, field effect transistors, PMMA, tungsten diselenide
Online: 5 October 2018 (09:55:00 CEST)
We study the effect of polymer coating, pressure, temperature and light on the electrical characteristics of monolayer WSe2 back-gated transistors with quasi-ohmic Ni/Au contacts. We prove that the removal of a layer of poly(methyl methacrylate) or a decrease of the pressure change the device conductivity from p to n-type. We demonstrate a gate-tunable Schottky barrier at the contacts and measure a barrier height of ~70 meV in flat-band condition. We report and discuss a temperature-driven change in the mobility and the subthreshold slope which we use to estimate the trap density at the WSe2/SiO2 interface. We study the spectral photoresponse of the device, that can be used as a photodetector with a responsivity of ~0.5 AW-1 at 700 nm wavelength and 0.37 mW/cm2 optical power.
ARTICLE | doi:10.20944/preprints201807.0392.v1
Subject: Chemistry, Electrochemistry Keywords: electrodeposition; platinum; highly oriented pyrolytic graphite; 2D growth
Online: 20 July 2018 (16:08:11 CEST)
We discuss the electrodeposition of two-dimensional (2D) Pt-nanostructures on HOPG achieved under constant applied potential versus a Pt counter electrode (Eappl = ca. - 2.2 V vs RHE). The deposition conditions are discussed in terms of the electrochemical behavior of the electrodeposition precursor (H2PtCl6). We performed cyclic voltammetry (CV) of the electrochemical Pt deposit on HOPG and on Pt substrates to study the relevant phenomena that affect the morphology of Pt deposition. Under conditions where the Pt deposition occurs and H2 evolution is occurring at the diffusion-limited rate (- 0.3 V vs RHE), Pt forms larger structures on the surface of HOPG, and the electrodeposition of Pt is not limited by diffusion. This indicates the need for large overpotentials to direct the 2D growth of Pt. Investigation of the possible effect of Cl- showed that Cl- deposits on the surface of Pt at low overpotentials, but strips from the surface at potentials more positive than the electrodeposition potential. The CV of Pt on HOPG is a strong function of the nature of the surface. We propose that during immersion of HOPG in the electrodeposition solution (3 mM H2PtCl6, 0.5 M NaCl, pH 2.3) Pt islands are formed spontaneously, and these islands drive the growth of the 2D nanostructures.
ARTICLE | doi:10.20944/preprints202206.0291.v1
Subject: Physical Sciences, Optics Keywords: 2D materials; integrated optics; photo-thermal changes; graphene oxide
Online: 21 June 2022 (08:06:34 CEST)
We experimentally investigate power-sensitive photo-thermal tuning (PTT) of two-dimensional (2D) graphene oxide (GO) films coated on integrated optical waveguides. We measure the light power thresholds for reversible and permanent GO reduction in silicon nitride (SiN) waveguides integrated with 1 and 2 layers of GO. Raman spectra at different positions of a hybrid waveguide with permanently reduced GO are characterized, verifying the inhomogeneous GO reduction along the direction of light propagation through the waveguide. The differences between the PTT induced by a continuous-wave laser and a pulsed laser are also compared, confirming that the PTT mainly depend on the average input power. These results reveal interesting features for 2D GO films coated on integrated optical waveguides, which are of fundamental importance for the control and engineering of GO’s properties in hybrid integrated photonic devices.
ARTICLE | doi:10.20944/preprints202105.0439.v1
Subject: Physical Sciences, Acoustics Keywords: Four-wave mixing; 2D materials; microring resonator; graphene oxide
Online: 19 May 2021 (10:21:01 CEST)
We theoretically investigate and optimize the performance of four-wave mixing (FWM) in microring resonators (MRRs) integrated with two-dimensional (2D) layered graphene oxide (GO) films. Owing to the interaction between the MRRs and the highly nonlinear GO films as well as to the resonant enhancement effect, the FWM efficiency in GO-coated MRRs can be significantly improved. Based on previous experiments, we perform detailed analysis for the influence of the GO film parameters and MRR coupling strength on the FWM conversion efficiency (CE) of the hybrid MRRs. By optimizing the device parameters to balance the trade-off between the Kerr nonlinearity and loss, we achieve a high CE enhancement of ~18.6 dB relative to the uncoated MRR, which is ~8.3 dB higher than previous experimental results. The influence of photo-thermal changes in the GO films as well as variations in the MRR parameters such as the ring radius and waveguide dispersion on the FWM performance is also discussed. These results highlight the significantly improved FWM performance that can be achieved in MRRs incorporating GO films
ARTICLE | doi:10.20944/preprints202012.0537.v1
Subject: Materials Science, Biomaterials Keywords: 2D materials; MoS2; molecular potentials; DFT, elastic constants; phonons
Online: 21 December 2020 (15:55:33 CET)
An ability of different molecular potentials to reproduce the properties of 2D molybdenum disulphide polymorphs is examined. Structural and mechanical properties, as well as phonon dispersion of the 2H, 1T and 1T’ single-layer MoS2 (SL MoS2) phases, were obtained using density functional theory (DFT) and molecular statics calculations (MS) with Stillinger-Weber, REBO, SNAP, and ReaxFF interatomic potentials. Quantitative systematic comparison and discussion of the results obtained are reported.
Subject: Physical Sciences, Optics Keywords: integrated waveguides; nonlinear optics; 2D; materials; silicon nanophotonics graphene
Online: 3 April 2020 (14:09:34 CEST)
Layered two-dimensional (2D) GO films are integrated with silicon-on-insulator (SOI) nanowire waveguides to experimentally demonstrate an enhanced Kerr nonlinearity, observed through self-phase modulation (SPM). The GO films are integrated with SOI nanowires using a large-area, transfer-free, layer-by-layer coating method that yields precise control of the film thickness. The film placement and coating length are controlled by opening windows in the silica cladding of the SOI nanowires. Owing to the strong mode overlap between the SOI nanowires and the highly nonlinear GO films, the Kerr nonlinearity of the hybrid waveguides is significantly enhanced. Detailed SPM measurements using picosecond optical pulses show significant spectral broadening enhancement for SOI nanowires coated with 2.2-mm-long films of 1−3 layers of GO, and 0.4-mm-long films with 5−20 layers of GO. By fitting the experimental results with theory, the dependence of GO’s n2 on layer number and pulse energy is obtained, showing interesting physical insights and trends of the layered GO films from 2D monolayers to quasi bulk-like behavior. Finally, we show that by coating SOI nanowires with GO films the effective nonlinear parameter of SOI nanowires is increased 16 fold, with the effective nonlinear figure of merit (FOM) increasing by about 20 times to FOM > 5. These results reveal the strong potential of using layered GO films to improve the Kerr nonlinear optical performance of silicon photonic devices.
TECHNICAL NOTE | doi:10.20944/preprints202209.0410.v1
Subject: Engineering, Civil Engineering Keywords: 2D floodplain modeling; HEC-RAS; River Renaturation; finite difference approximation
Online: 27 September 2022 (03:53:09 CEST)
River renaturation can be an effective management method for restoring the floodplain's natural capacity and minimizing the effects during high flow periods. A 1D-2D HEC-RAS model, in which the flood plain was considered as 2D and the main channel as 1D, was used to simulate flooding in the restored reach of the Spree River. When computing in this model, finite volume and finite difference approximations using the Preissmann approach are used for the 1D and 2D models, respectively. To comprehend the sensitivity of the parameters and model, several scenarios were simulated using different time steps and grid sizes. Additionally, dykes, dredging, and changes to the vegetation pattern have been used to simulate flood mitigation measures. The model predicted that flooding would occur mostly in the downstream portion of the channel in the majority of the scenarios without mitigation measures, whereas with mitigation measures, flooding in the floodplain would be greatly reduced. By preserving the natural balance on the channel's floodplain, the restored area needs to be kept in good condition. Therefore, mitigating measures that balance the area's economic and environmental aspects must be considered in light of the potential for floods.
ARTICLE | doi:10.20944/preprints202106.0195.v1
Subject: Materials Science, Nanotechnology Keywords: perovskite solar cells, electron transport layer, 2D perovskite, anti-solvent
Online: 7 June 2021 (16:15:59 CEST)
Surface passivation, which has been intensively studied recently, is essential for the perovskite solar cells (PSCs), due to the intrinsic defects in perovskite crystal. A series of chemical or physical methods have been published for passivating the defects of perovskite, which effectively suppressed the charge recombination and enhanced the photovoltaic performance. In this study, the n-type semiconductor of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) is dissolved in chlorobenzene (CB) for the surface passivation during the spin-coating process for depositing the two-dimensional (2D) perovskite film. This approach simplifies the fabrication process of 2D PSCs and benefits the film quality. As a result, the defects of perovskite film are effectively passivated by this method. A better perovskite/PCBM heterojunction is generated, exhibiting an increased film coverage and improved film morphology of PCBM. It is found that this technology results in an improved electron transporting performance as well as suppressed charge recombination for electron transport layer. As a result, PSCs based on the one-step formed perovskite/PCBM heterojunctions exhibit the optimized power conversion efficiency of 15.69% which is about 37% higher than that of regular perovskite devices. The device environmental stability is also enhanced due to the quality-improved electron transport layer.
ARTICLE | doi:10.20944/preprints202012.0104.v1
Subject: Engineering, Automotive Engineering Keywords: 2D Electrical Resistance Tomography; Low conductivity solutions; Crystallization; Inverse imaging
Online: 4 December 2020 (11:51:47 CET)
Crystallization is a significant procedure in the manufacturing of many pharmaceutical and solid food products. In-situ Electrical Resistance Tomography (ERT) is a novel Process Analytical Tool (PAT) to provide a cheap and quick way to test, visualize, and evaluate the progress of crystallization processes. In this work, the spatial accuracy of the non-conductive phantoms in low conductivity solutions was evaluated. Gauss-Newton, Linear Back Projection, and iterative Total Variation reconstruction algorithms were used to compare the phantom reconstructions for tap water, industrial-grade saturated sucrose solution, and demineralized water. Cylindrical phantom measuring 10 mm in diameter and a cross-section area of 1.5 % of the total beaker area was detected at the center of the beaker. Two phantoms with a 10 mm diameter were visualized separately in non-central locations. The quantitative evaluations were done for the phantoms with radii ranging from 10 mm to 50 mm in demineralized water. Multiple factors such as ERT device and sensor development, FEM mesh density and simulations, image reconstruction algorithms, number of iterations, segmentation methods, and morphological image processing methods were discussed and analyzed to achieve spatial accuracy. The development of ERT imaging modality for the purpose of monitoring crystallization in low conductivity solutions was performed satisfactorily.
Subject: Physical Sciences, Optics Keywords: nonlinear optics; 2D films; graphene oxide; four wave mixing; nanowires
Online: 7 June 2020 (11:07:59 CEST)
Layered 2D graphene oxide (GO) films are integrated with silicon nitride (SiN) waveguides to experimentally demonstrate an enhanced Kerr nonlinearity via four-wave mixing (FWM). Owing to the strong light–matter interaction between the SiN waveguides and the highly nonlinear GO films, the FWM performance of the hybrid waveguides is significantly improved. SiN waveguides with both uniformly coated and patterned GO films are fabricated based on a transfer-free, layer-by-layer GO coating method together with standard photolithography and lift-off processes, yielding precise control of the film thickness, placement and coating length. Detailed FWM measurements are carried out for the fabricated devices with different numbers of GO layers and at different pump powers. By optimizing the trade-off between the nonlinearity and loss, we obtain a significant improvement in the FWM conversion efficiency of ≈7.3 dB for a uniformly coated device with 1 layer of GO and ≈9.1 dB for a patterned device with 5 layers of GO. We also obtain a significant increase in FWM bandwidth for the patterned devices. A detailed analysis of the influence of pattern length and position on the FWM performance is performed. Based on the FWM measurements, the dependence of GO’s third-order nonlinearity on layer number and pump power is also extracted, revealing interesting physical insights about the 2D layered GO films. Finally, we obtain an enhancement in the effective nonlinear parameter of the hybrid waveguides by over a factor of 100. These results verify the enhanced nonlinear optical performance of SiN waveguides achievable by incorporating 2D layered GO films.
ARTICLE | doi:10.20944/preprints202004.0300.v1
Subject: Materials Science, Nanotechnology Keywords: 2D materials; molybdenum trioxide (MoO3); molybdenum disulfide (MoS2); synthesis; sulfuration
Online: 17 April 2020 (13:07:28 CEST)
We fabricate large-area atomically thin MoS2 layers through the direct transformation of crystalline molybdenum trioxide (MoO3) by sulfurization at relatively low temperatures. The obtained MoS2 sheets are polycrystalline (~10-20 nm single-crystal domain size) with areas of up to 300×300 µm2 with 2-4 layers in thickness and show a marked p-type behaviour. The synthesized films are characterized by a combination of complementary techniques: Raman spectroscopy, X-ray diffraction, transmission electron microscopy and electronic transport measurements.
ARTICLE | doi:10.20944/preprints202003.0008.v1
Subject: Materials Science, Nanotechnology Keywords: 2D materials; photodetectors; oxidation; TiS3; TiO2; Raman spectroscopy; DFT GW
Online: 1 March 2020 (03:43:01 CET)
In two-dimensional materials research, oxidation is usually considered as a common source for the degradation of electronic and optoelectronic devices or even device failure. However, in some cases a controlled oxidation can open the possibility to widely tune the band structure of 2D materials. In particular, we demonstrate the controlled oxidation of titanium trisulfide (TiS3), a layered semiconductor that attracted much attention recently thanks to its quasi-1D electronic and optoelectronic properties and its direct bandgap of 1.1 eV. Heating TiS3 in air above 300 °C gradually converts it into TiO2, a semiconductor with a wide bandgap of 3.2 eV with applications in photo-electrochemistry and catalysis. In this work, we investigate the controlled thermal oxidation of individual TiS3 nanoribbons and its influence on the optoelectronic properties of TiS3-based photodetectors. We observe a step-wise change in the cut-off wavelength from its pristine value ~1000 nm to 450 nm after subjecting the TiS3 devices to subsequent thermal treatment cycles. Ab-initio and many-body calculations confirm an increase of the bandgap of titanium oxysulfide (TiO2-xSx) when increasing the amount of oxygen and reducing the amount of sulfur.
ARTICLE | doi:10.20944/preprints202002.0059.v1
Subject: Engineering, Electrical & Electronic Engineering Keywords: EEG; Transition; 2D to 3D; Anaglyph; Feature extraction; Classification; Hybrid
Online: 5 February 2020 (10:48:51 CET)
Despite the long and extensive history of 3D technology, it has recently attracted the attention of researchers. This technology has become the center of interest of young people because of the real feelings and sensations it creates. People see their environment as 3D because of their eye structure. In this study, it is hypothesized that people lose their perception of depth during sleepy moments and that there is a sudden transition from 3D vision to 2D vision. Regarding these transitions, the EEG signal analysis method was used for deep and comprehensive analysis of 2D and 3D brain signals. In this study, a single-stream anaglyph video of random 2D and 3D segments was prepared. After watching this single video, the obtained EEG recordings were considered for two different analyses: the part involving the critical transition (transition-state) and the state analysis of only the 2D versus 3D or 3D versus 2D parts (steady-state). The main objective of this study is to see the behavioral changes of brain signals in 2D and 3D transitions. To clarify the impacts of the human brain’s power spectral density (PSD) in 2D-to-3D (2D_3D) and 3D-to-2D (3D_2D) transitions of anaglyph video, 9 visual healthy individuals were prepared for testing in this pioneering study. Spectrogram graphs based on Short Time Fourier transform (STFT) were considered to evaluate the power spectrum analysis in each EEG channel of transition or steady-state. Thus, in 2D and 3D transition scenarios, important channels representing EEG frequency bands and brain lobes will be identified. To classify the 2D and 3D transitions, the dominant bands and time intervals representing the maximum difference of PSD were selected. Afterward, effective features were selected by applying statistical methods such as standard deviation (SD), maximum (max), and Hjorth parameters to epochs indicating transition intervals. Ultimately, k-Nearest Neighbors (k-NN), Support Vector Machine (SVM), and Linear Discriminant Analysis (LDA) algorithms were applied to classify 2D_3D and 3D_2D transitions. The frontal, temporal, and partially parietal lobes show 2D_3D and 3D_2D transitions with a good classification success rate. Overall, it was found that Hjorth parameters and LDA algorithms have 71.11% and 77.78% classification success rates for transition and steady-state, respectively.
ARTICLE | doi:10.20944/preprints201908.0139.v1
Subject: Physical Sciences, Condensed Matter Physics Keywords: 2D materials, molybdenum disulfide (MoS2), interlayer exciton, strain engineering, bilayer
Online: 12 August 2019 (11:43:12 CEST)
We show how the excitonic features of biaxial MoS2 flakes are very sensitive to biaxial strain. We find a lower bound for the gauge factors of the A exciton and B exciton of (-41 ± 2) meV/% and (-45 ± 2) meV/% respectively, which are larger than those found for single-layer MoS2. Interestingly, the interlayer exciton feature also shifts upon biaxial strain but with a gauge factor that is systematically larger than that found for the A exciton, (-48 ± 4) meV/%. We attribute this larger gauge factor for the interlayer exciton to the strain tunable van der Waals interaction due to the Poisson effect (the interlayer distance changes upon biaxial strain).
ARTICLE | doi:10.20944/preprints201905.0336.v1
Subject: Engineering, Civil Engineering Keywords: secondary flow; cohesive; deposition; 2D numerical model; meandering; Yangtze River
Online: 28 May 2019 (11:10:24 CEST)
A conventional 2D numerical model is improved by incorporating three submodels to consider different effects of secondary flow and a module for cohesive sediment transport. The model is applied to a meandering reach of Yangtze River to investigate secondary flow effects on cohesive sediment deposition, and a preferable submodel is selected based on the flow simulation results. Sediment simulation results indicate that the improved model predictions are in better agreement with the measurements in planar distribution of deposition as the increased sediment deposits caused by secondary current on the convex bank have been well predicted. Secondary flow effects on predicted amount of deposition become more obvious during the period when the sediment load is low and velocity redistribution induced by the bed topography is evident. Such effects vary with the settling velocity and critical shear stress for deposition of cohesive sediment. The bed topography effects can be reflected by the secondary flow submodels.
DATA DESCRIPTOR | doi:10.20944/preprints201805.0047.v1
Subject: Earth Sciences, Geoinformatics Keywords: map projections; coordinate systems; earth's 3D models; earth's 2D representation
Online: 2 May 2018 (13:29:41 CEST)
This work presents datasets that can be used for getting a good understanding of an essential geoscience content knowledge that describe earth’s coordinate systems. This include coordinate system used for spherical/spheroidal earth with latitudes and longitudes and their subsequent transformations to 2d maps on a variety of media (paper as well as digital) using the process of map projections. The datasets include PDF documents that are embedded with 3d models, animations and mathematical equations. The dataset has separate PDF documents for geographic (for spherical earth) and projected (2d) coordinate systems. Additionally, the data set include individual 3d models that can be used in various digital systems (including apps) and the animations in mp4 format that can be watched on most of the modern digital devices.
ARTICLE | doi:10.20944/preprints201801.0276.v1
Subject: Biology, Plant Sciences Keywords: dehydrins; 2D PAGE; drought; mitochondrial biogenesis; mitochondrial proteome; plant transcriptome
Online: 30 January 2018 (04:17:44 CET)
The early generative phase of cauliflower (Brassica oleracea var. botrytis) curd ripening is sensitive to the water deficit. Mitochondrial responses under drought within Brassica genus are poorly understood. The main goal of this study was to investigate the mitochondrial biogenesis of three cauliflower cultivars varying with drought tolerance. Diverse quantitative changes (down-regulations mostly) in the mitochondrial proteome were assayed by 2D PAGE coupled with LC-MS/MS. Respiratory (e.g. CII, CIV and ATP synthase subunits), transporter (including diverse porin isoforms) and matrix multifunctional proteins (e.g. components of RNA editing machinery) appeared diversely affected in their abundance under two drought levels. Western immunoassays showed also cultivar-specific responses of selected mitochondrial proteins. Dehydrin-related tryptic peptides found in few 2D spots that appeared immunopositive with dehydrin-specific antisera highlighted the relevance of mitochondrial dehydrin-like proteins for the drought response. The level of selected messengers participating in drought response was also determined. We conclude that the mitochondrial biogenesis was strongly, but diversely affected in various cauliflower cultivars and associated with drought tolerance on the proteomic and functional levels. However, transcriptomic and proteomic regulations were largely uncoordinated due to the suggested altered availability of messengers for translation, mRNA/ribosome interactions and/or miRNA impact on transcript abundance and translation.
ARTICLE | doi:10.20944/preprints202207.0310.v1
Subject: Physical Sciences, Condensed Matter Physics Keywords: ab-initio; DFT calculations; 2D materials; MoS2; optical properties; platinum; FPMD
Online: 21 July 2022 (03:24:52 CEST)
Using first-principles molecular dynamics (FPMD), we performed numerical simulations at 300 K to explore the interaction of a 2D MoS2 surface and a platinum atom, calculating the optical properties of the resulting material. The pristine MoS2 is a semiconductor with a gap of around 1.8 eV. The Pt atom is chemisorbed by the surface with an adsorption energy of −1.718 eV. With the adsorption of the Pt atom, the material remains a semiconductor, and its energy band gap reduces to 1.04 eV. But changes in the material's energy band structure imply substantial changes in its optical properties. The energy band structure of the 2D MoS2 with a sulfur vacancy VS shows that the material becomes a conductor, and there are significant changes in its optical properties. We also found that the Pt atom chemisorbs in a sulfur vacancy of the material, with an adsorption energy of −4.1164 eV. After the adsorption of Pt atoms in the sulfur vacancy, the material becomes a semiconductor with a band gap of 1.06 eV, and the changes in the optical absorption and reflectivity are significant.
REVIEW | doi:10.20944/preprints202108.0457.v1
Subject: Engineering, Electrical & Electronic Engineering Keywords: saturable absorbers; Rhenium disulfide; pulsed lasers; mode-locking; Q-switching; 2D TMD
Online: 23 August 2021 (14:59:07 CEST)
Rhenium Disulfide (ReS2) has evolved as a novel 2D transition-metal dichalcogenide (TMD) material which has promising applications in optoelectronics and photonics because of its distinctive anisotropic attributes. In this review, we emphasize on formulating saturable absorbers (SAs) based on ReS2 to produce Q-switched and mode-locked pulsed lasers of diverse operation wavelengths like 1 μm, 1.5 μm, 2 μm, and 3 μm. We outline ReS2 synthesis techniques and integration platforms concerning solid-state and fiber-type lasers. We discuss the laser performance based on SAs attributes. Lastly, we draw conclusions and outlook by recommending additional improvements for SA devices so as to advance the domain of ultrafast photonic technology.
REVIEW | doi:10.20944/preprints202107.0067.v1
Subject: Materials Science, Biomaterials Keywords: 2D materials; toxic gases; chemical functionalization; green house gases; doping; first principles
Online: 2 July 2021 (15:42:43 CEST)
In the search for new 2D materials beyond graphene with similar exemplary properties Stanene the new graphene relative was successfully synthesized and characterized in 2016 . This new material which consists of atomically thin tin (Sn) atoms arranged in a hexagonal lattice has shown great promise in gas sensing applications in its pristine, doped and functionalized forms as evidenced by the recent research outputs following its discovery. Researchers have discovered that with its exotic properties it is highly efficient in the detection of the environmentally harmful gases like SO2, NO2, CO2, NH3 and can serve as a multifunctional gas sensor. In this focused and up-to-date review we aim to group the literature on first principles studies of stanene regards to its application for gas sensing and critically examine the success/failures of its multifunctional gas sensing properties as compared to graphene. We systematically present and discusses how structural deformations, defects and doping effect the gas sensing performance. Despite the impressive progress in the field of gas sensing with stanene shown by first principles calculations, many challenges in large scale synthesis, device fabrication and commercialization need to be addressed. The current review can help understand the current status and drawbacks of stanene and identify future directions in this field.
ARTICLE | doi:10.20944/preprints201910.0284.v1
Subject: Earth Sciences, Atmospheric Science Keywords: raindrop shapes; asymmetric rain drops; scattering calculations; polarimetric radar; 2D-video distrometer
Online: 25 October 2019 (04:22:52 CEST)
Tropical storm Nate, which was a powerful hurricane prior to landfall along the Alabama coast, traversed north towards our instrumented site in Hunstville, AL. The rain bands lasted 18 h and the 2D-video disdrometer (2DVD) captured the event which was shallow and indicative of pure warm rain processes. Measurements of raindrop size, shape and velocity distributions are quite rare in pure warm rain and are expected to differ from cold rain processes. In particular, asymmetric shapes due to drop oscillations and their impact on polarimetric radar signatures in warm rain have not been studied so far. Recently, the 2DVD data has been used for 3D reconstruction of asymmetric raindrop shapes but their fraction (relative to the more common oblate shapes) in warm rain has yet to be ascertained. Here we compute the scattering matrix drop-by-drop using Computer Simulation Technology integral equation solver for drop sizes>2.5 mm. From the scattering matrix elements, the polarimetric radar observables are simulated by integrating over 1 minute consecutive segments of the event. These simulated values are compared with dual-polarized C-band radar data located at 15 km range from the 2DVD site to evaluate the contribution of the asymmetric drop shapes.
ARTICLE | doi:10.20944/preprints201808.0242.v1
Subject: Materials Science, Nanotechnology Keywords: 2D materials; transition metal dichalcogenides (TMDCs); MoS2; WS2; MoSe2; WSe2; optical properties
Online: 14 August 2018 (05:21:56 CEST)
The research field of two dimensional (2D) materials strongly relies on optical microscopy characterization tools to identify atomically thin materials and to determine their number of layers. Moreover, optical microscopy-based techniques also opened the door to study the optical properties of these nanomaterials. We present a comprehensive study of the differential reflectance spectra of 2D semiconducting transition metal dichalcogenides (TMDCs), MoS2, MoSe2, WS2 and WSe2, with thickness ranging from one layer up to six layers. We analyze the thickness-dependent energy of the different excitonic features, indicating the change in the band structure of the different TMDC materials with the number of layers. Our work provides a route to employ differential reflectance spectroscopy for determining the number of layers of MoS2, MoSe2, WS2 and WSe2.
ARTICLE | doi:10.20944/preprints201612.0016.v1
Subject: Earth Sciences, Environmental Sciences Keywords: mobile mapping system; LiDAR point cloud; 2D-3D registration; panoramic sensor model
Online: 2 December 2016 (10:58:19 CET)
For multi-sensor integrated systems, such as a mobile mapping system (MMS), data fusion at sensor-level, i.e., the 2D-3D registration between optical camera and LiDAR, is a prerequisite for higher level fusion and further applications. This paper proposes a line-based registration method for panoramic images and LiDAR point cloud collected by a MMS. We first introduce the system configuration and specification, including the coordinate systems of the MMS, the 3D LiDAR scanners, and the two panoramic camera models. We then establish the line-based transformation model for panoramic camera. Finally, the proposed registration method is evaluated for two types of camera models by visual inspection and quantitative comparison. The results demonstrate that the line-based registration method can significantly improve the alignment of the panoramic image and LiDAR datasets under either the ideal spherical or the rigorous panoramic camera model, though the latter is more reliable.
ARTICLE | doi:10.20944/preprints202109.0347.v1
Subject: Physical Sciences, General & Theoretical Physics Keywords: informational measure of symmetry; 1D shapes; 2D shapes; fractal patterns; time evolution; symmetry; pattern
Online: 20 September 2021 (16:39:57 CEST)
Informational (Shannon) measures of symmetry are introduced and analyzed for the patterns built of 1D and 2D shapes. The informational measure of symmetry Hsym (G) characterizes the an averaged uncertainty in the presence of symmetry elements from the group G in a given pattern; whereas the Shannon-like measure of symmetry Ωsym (G) quantifies averaged uncertainty of appearance of shapes possessing in total n elements of symmetry belonging to group G in a given pattern. Hsym(G1)=Ωsym(G1)=0 for the patterns built of irregular, non-symmetric shapes. Both of informational measures of symmetry are intensive parameters of the pattern and do not depend on the number of shapes, their size and area of the pattern. They are also insensitive to the long-range order inherent for the pattern. Informational measures of symmetry of fractal patterns are addressed. The mixed patterns including curves and shapes are considered. Time evolution of the Shannon measures of symmetry is treated. The close-packed and dispersed 2D patterns are analyzed.
ARTICLE | doi:10.20944/preprints202011.0492.v1
Subject: Materials Science, Biomaterials Keywords: 2D fatty liver in vitro model; Blu-Ray disc; Plasmonic Nanomaterials; Label-Free Biosensing
Online: 19 November 2020 (07:30:22 CET)
Non-alcoholic fatty liver (NAFLD) is a metabolic disorder related with a chronic lipid accumulation within the hepatocytes. This disease is the most common liver disorder worldwide and it is estimated that is present in up to 25% of the world's population. However, the real prevalence of this disease and the associated disorders is unknown mainly because reliable and applicable diagnostic tools are lacking. It is known that the level of albumin, a pleiotropic protein synthetized by hepatocytes, is correlated with the correct function of the liver. The development of a complementary tool that allow the direct, sensitive, and label-free monitoring of albumin secretion in hepatocyte cell culture can provide insight about the mechanism and drugs action in NAFLD. With this aim, we have developed a simple integrated plasmonic biosensor based on gold nanogratings from periodic nanostructures present in commercial Blu-ray optical disc. This sensor allows the direct and label-free monitoring of albumin in a 2D fatty liver disease model under flow conditions using highly specific polyclonal antibody. This technology avoids both the amplification and blocking steps showing a limit of detection within pM range (≈ 0.39 ng/mL). Thanks to this technology, we identified the optimal fetal bovine serum (FBS) concentration to maximize the lipid accumulation within the cells. Moreover, we discovered that at third day from lipids challenge, the hepatocytes increased the amount of albumin secreted. These data demonstrate the ability of hepatocytes to respond to the lipid stimulation releasing more albumin. Further investigation needed to unveil the biological significance of that cell behaviour.
Subject: Physical Sciences, Optics Keywords: 2D materials; micro-ring resonator; graphene oxide; Kerr nonlinearity; four-wave mixing; integrated optics
Online: 6 March 2020 (05:33:51 CET)
Layered two-dimensional (2D) graphene oxide (GO) films are integrated with micro-ring resonators (MRRs) to experimentally demonstrate enhanced nonlinear optics in the form of four-wave mixing (FWM). Both uniformly coated and patterned GO films are integrated on CMOS-compatible doped silica MRRs using a large-area, transfer-free, layer-by-layer GO coating method together with photolithography and lift-off processes, yielding precise control of the film thickness, placement, and coating length. The high Kerr nonlinearity and low loss of the GO films combined with the strong light-matter interaction within the MRRs results in a significant improvement in the FWM efficiency in the hybrid MRRs. Detailed FWM measurements are performed at different pump powers and resonant wavelengths for the uniformly coated MRRs with 1−5 layers of GO as well as the patterned devices with 10−50 layers of GO. The experimental results show good agreement with theory, achieving up to ~7.6-dB enhancement in the FWM conversion efficiency (CE) for an MRR uniformly coated with 1 layer of GO and ~10.3-dB for a patterned device with 50 layers of GO. By fitting the measured CE as a function of pump power for devices with different numbers of GO layers, we also extract the dependence of GO’s third-order nonlinearity on layer number and pump power, revealing interesting physical insights about the evolution of the layered GO films from 2D monolayers to quasi bulk-like behavior. These results confirm the high nonlinear optical performance of integrated photonic resonators incorporated with 2D layered GO films.
ARTICLE | doi:10.20944/preprints201803.0071.v1
Subject: Life Sciences, Other Keywords: biosensor; S-layer protein; crystalline 2D protein lattice; lipid membrane platform; linking matrix; bioreceptor; biomimetics
Online: 9 March 2018 (12:10:28 CET)
The present Feature Paper highlights the application of bacterial surface (S-) layer proteins as versatile components for the fabrication of biosensors. One technologically relevant feature of S‑layer proteins is their ability to self-assemble on many surfaces and interfaces to form a crystalline 2D protein lattice. The S-layer lattice on the surface of a biosensor becomes part of the interface architecture, linking the bioreceptor to the transducer interface, which may cause signal amplification. The S-layer lattice as ultrathin, highly porous structure with functional groups in a well-defined special distribution and orientation and an overall anti-fouling characteristics can significantly raise the limit in terms of variety and ease of bioreceptor immobilization, compactness of bioreceptor molecule arrangement, sensitivity, specificity, and detection limit for many types of biosensors. The present paper discusses and summarizes examples for the successful implementation of S-layer lattices on biosensor surfaces in order to give a comprehensive overview on the application potential of these bioinspired S-layer protein-based biosensors.
ARTICLE | doi:10.20944/preprints202112.0296.v1
Subject: Medicine & Pharmacology, Pharmacology & Toxicology Keywords: Plasmodium falciparum dihydroorotate dehydrogenase; fragment-based drug design; 2D-QSAR; DFT calculation; Lead optimization; Induced Fit docking
Online: 20 December 2021 (09:39:42 CET)
Plasmodium falciparum dihydroorotate dehydrogenase (PfDODH) is one of the enzymes currently explored in the treatment of malaria. Although there is currently no clinically approved drug targeting PfDODH, many of the compounds in clinical trials have [1, 2, 4,] triazolo [1, 5-a] pyrimidin-7-amine backbone structure. This study sought to design new compounds from the fragments of known experimental inhibitors of PfDODH. Nine experimental compounds retrieved from Drug Bank online were downloaded and broken into fragments using Schrodinger power shell; the fragments were recombined to generate new ligand structures using BREED algorithm. The new compounds were docked with PfDODH crystal structure, after which the compounds were filtered with extensive drug-likeness and toxicity parameters. A 2D-QSAR model was built using the multiple linear regression method and externally validated. The compounds electronic behaviours were studied using DFT calculations. Structural investigation of the six designed compounds, which had lower binding energies than the standard inhibitors, showed that five of them had [1, 2, 4,] triazolo [1, 5-a] pyrimidin-7-amine moieties and interacted with essential residues at the PfDODH binding site. In addition to their drug-like and pharmacokinetic properties, they also showed minimal toxicities. The externally validated 2D-QSAR model with R2 and Q2 values of 0.6852 and 0.6691, confirmed the inhibitory prowess of these compounds against PfDODH. The DFT calculations showed regions of the molecules prone to electrophilic and nucleophilic attack. The current study thus provides insight into the development of a new set of potent PfDODH inhibitors.
Subject: Materials Science, Biomaterials Keywords: hydroxylapatite, oxyhydroxylapatite, oxyapatite, tricalcium phosphate, tetracalcium phosphate, Raman spectroscopy, MAS-CP NMR spectroscopy, 2D-HETCOR NMR spectroscopy.
Online: 5 August 2021 (11:06:47 CEST)
Functional osseoconductive coatings based on hydroxylapatite (HAp) and applied preferentially by atmospheric plasma spraying to medical implant surfaces are a mainstay of modern implantology. During contact with the hot plasma jet, HAp particles melt incongruently and undergo complex dehydration and decomposition reactions that alter their phase composition and crystallographic symmetry, and thus, the physical and biological properties of the coatings. Surface analytical methods such as laser-Raman and nuclear magnetic resonance (NMR) spectroscopies are useful tools to assess the structural changes of HAp imposed by heat treatment during their flight along the hot plasma jet. In this contribution, the controversial information on the existence or non-existence of oxyapatite, i.e. fully dehydrated HAp as a thermodynamically stable compound is highlighted.
ARTICLE | doi:10.20944/preprints202109.0344.v1
Subject: Earth Sciences, Environmental Sciences Keywords: lower Athabasca River; Oil Sands Region; quasi-2D modelling; Water-Quality Analysis Simulation Program (WASP); water-quality modelling
Online: 20 September 2021 (16:07:09 CEST)
A quasi-two-dimensional (quasi-2D) modelling approach is introduced to mimic transverse mixing of an inflow into a river from one of its banks, either an industrial outfall or a tributary. The concentrations of determinands in the inflow vary greatly from those in the river, leading to very long mixing lengths in the river downstream of the inflow location. Ideally, a two-dimensional (2D) model would be used on a small scale to capture the mixing of the two flow streams. However, for large-scale applications of several hundreds of kilometres of river length, such an approach demands too many computational resources and too much computational time, especially if the application will at some point require ensemble input from climate-change scenario data. However, a one-dimensional (1D) model with variables varying in the longitudinal flow direction but averaged across the cross-sections is too simple of an approach to capture the lateral mixing between different flow streams within the river. Hence, a quasi-2D method is proposed in which a simplified 1D solver is still applied but the discretisation of the model setup can be carried out in such a way as to enable a 2D representation of the model domain. The quasi-2D model setup also allows secondary channels and side lakes in floodplains to be incorporated into the discretisation. To show proof-of-concept, the approach has been tested on a stretch of the lower Athabasca River in Canada flowing through the oil sands region between Fort McMurray and Fort MacKay. A dye tracer and suspended sediments are the constituents modelled in this test case.
ARTICLE | doi:10.20944/preprints201808.0398.v1
Subject: Engineering, Civil Engineering Keywords: fluctuating backwater area; reservoir; 2D shallow water equations; bed-load transport; Godunov-type scheme; FVM; non-uniformity sediment.
Online: 22 August 2018 (14:43:45 CEST)
Numerical modeling of sedimentation and erosion in reservoirs is an active field of reservoir research. However, simulation of bed-load transport phenomena has rarely been applied to other water bodies, in particular, the fluctuating backwater area. This is because the complex morphological processes between hydrodynamics and sediment transport are generally challenging to accurately predict. In this study, the refinement and application of a two-dimensional shallow-water and bed-load transport model to the fluctuating backwater area is described. The model employs the finite volume method of the Godunov scheme and saturated sediment transport equations. The model was verified against experimental data of a scaled physical model. It was then applied to actual reservoir operation, including reservoir storage, reservoir drawdown and continuous flood process, to predict the morphology of reservoir sedimentation and sediment transport rates and bed level changes in the fluctuating backwater area. It was found that the location and morphology of sedimentation effected by the downstream water level results in random evolution of the river bed, and bed-load sedimentation is transported from upstream to downstream with the slope of the longitudinal section of the river bed generally reduced. Moreover, the sediment is mainly deposited in the main channel and the elevation difference between the riverbank and channel decreases gradually.
REVIEW | doi:10.20944/preprints202210.0065.v1
Subject: Life Sciences, Endocrinology & Metabolomics Keywords: preeclampsia; neonatal outcome; vitamin D; 25(OH)D, 1,25(OH)2D; diabetes; pregnancy complication; vitamin D deficiency; vitamin D supplementation
Online: 6 October 2022 (12:16:11 CEST)
Vitamin D plays an essential role in embryogenesis and the course of intra- and postnatal periods and is crucially involved in the functioning of the mother-placenta-fetus system. Low quantity of Vitamin D during pregnancy can lead to the elevated risk for preeclampsia occurence. Despite the numerous studies on the association of Vitamin D deficiency and preeclampsia development, the current research on this theme is contradictory. In this review we summarize and analyze study data on the effects of vitamin D deficiency and supplementation on pregnancy, labor, fetal and neonatal outcomes.
REVIEW | doi:10.20944/preprints202201.0266.v1
Subject: Chemistry, General & Theoretical Chemistry Keywords: smectic T; lamellar; tetragonal symmetry; liquid crystals; square lattice; lattice parameter; thermotropic; two-dimensional organization; 2D positional order; quaternary ammonium
Online: 19 January 2022 (08:45:23 CET)
An overview of the chemical compounds forming the rare smectic T phases is cited with references to the historical context. Thermodynamics (transition temperatures, enthalpies) along with the factors (stereochemical constraints, electrostatic interactions, aliphatic chain stacking, intermolecular forces) contributing to the adoption of tetragonal scaffolds are also discussed. Characteristic optical microscopy textures and x-rays diffraction patterns are presented. In parallel, a comparison of the geometrical parameters such as distances between atoms, molecular areas, volumes, and lattice parameters with the closest two-dimensional and three-dimensional organizations, is performed.
ARTICLE | doi:10.20944/preprints202104.0335.v1
Subject: Chemistry, Analytical Chemistry Keywords: Two-dimensional Fourier transform (2D FT) spectroscopy; Ion Cyclotron Resonance 20 (ICR), Nuclear Magnetic Resonance; Precursor ions; Parent ions; Daughter ions.
Online: 13 April 2021 (10:13:28 CEST)
This contribution is an attempt to reconstruct the favorable atmosphere that prevailed in Lau-sanne in 1986-87 and provided the backdrop of our invention of two-dimensional ion cyclotron resonance mass spectroscopy (2D ICR-MS). To avoid a self-centered histoire d’ancien combattant, we shall try to emphasize the context, the contributions of key players within our nascent research group at UNIL and the established group of Tino Gäumann at EPFL, the role of external speakers, and the open atmosphere that was not yet polluted by bibliometrics, obsessive concern with im-pact factors, and top-down management of research. We shall also explain why the idea of 2D ICR-MS has been ignored for many years and still has a limited impact: different scientific cul-tures in the ICR and NMR communities, different concerns with fundamental vs. applied research, different status of theory and numerical simulations, different levels of commitment of instrument manufacturers, not to mention many theoretical problems that appear to be at least as challenging in ICR as in NMR.
SHORT NOTE | doi:10.20944/preprints202103.0604.v1
Subject: Chemistry, Analytical Chemistry Keywords: H-bonds (-bonding): hydrogen bonds (-bonding); q: quinoline; 3-/2D: three-/two dimensional & VdW: Van der Waal & bqma: bis(2-quinolinylmethyl)amine
Online: 24 March 2021 (16:40:02 CET)
The compound, C27H23N3 (1), crystallizes in the triclinic system of the P-1 space group. The unit cell comprises a dimer of 1, in which the monomers are linked by two complementary hydrogen bonds between N1 and H1-C1 of another molecule. The dimers form chains along the a-axis through intermolecular interactions between the N2 acceptor atoms and C17 donors from molecules in the nearest neighbouring dimer. These interactions form extended sheets of the dimers of 1, along the ab plane. The quinolinylmeth-2-yl groups of 1 lie in almost orthogonal planes and their N1/2(q) donor atoms being away from the apical amino N3 atom.
ARTICLE | doi:10.20944/preprints201910.0247.v1
Subject: Behavioral Sciences, Behavioral Neuroscience Keywords: visual contrast; perceived relative object depth; 2D images; sound frequency; two alternative forced-choice; response times; high-probability decision; readiness to respond; probability summation
Online: 22 October 2019 (03:34:45 CEST)
Pieron's and Chocholle’s seminal psychophysical work predicts that human response time to information relative to visual contrast and/or sound frequency decreases when contrast intensity or sound frequency increases. The goal of this study is to bring to the fore the ability of individuals to use visual contrast intensity and sound frequency in combination for faster perceptual decisions of relative depth (“nearer”) in planar (2D) object configurations on the basis of physical variations in luminance contrast. Computer controlled images with two abstract patterns of varying contrast intensity, one on the left and one on the right, preceded or not by a pure tone of varying frequency, were shown to healthy young humans in controlled experimental sequences. Their task (two-alternative forced-choice) was to decide as quickly as possible which of two patterns, the left or the right one, in a given image appeared to “stand out as if it were nearer” in terms of apparent (subjective) visual depth. The results show that the combinations of varying relative visual contrast with sounds of varying frequency exploited here produced an additive effect on choice response times in terms of facilitation, where a stronger visual contrast combined with a higher sound frequency produced shorter forced-choice response times. This new effect is predicted by cross-modal audio-visual probability summation.
TECHNICAL NOTE | doi:10.20944/preprints202203.0036.v1
Subject: Mathematics & Computer Science, Computational Mathematics Keywords: Vedic mathematics; parallel computation; parallelism; Multicore Systems; pipelining; 1D and 2D partitioning; linear equations solving; Paravartya Yojayet method; Sunyam Anyat method; Sankalana Vyavakalanabhyam method; Sopantyadvayamantyam method
Online: 2 March 2022 (07:37:16 CET)
Solving Linear equations with large number of variable contains many computations to be performed either iteratively or recursively. Thus it consumes more time when implemented in a sequential manner. There are many ways to solve the linear equations such as Gaussian elimination, Cholesky factorization, LU factorization, QR factorization. But even these methods when implemented on a sequential platform yield slower results as compared to a parallel platform where the time consumption is reduced considerably due to concurrent execution of instructions. The above mentioned linear equation solving methods can be implemented on the parallel platform using the direct approaches such as pipelining or 1D and 2D Partitioning approach. Vedic mathematics is a very ancient approach for solving mathematical problems. These Vedic mathematical approaches are well known for quicker and faster computation of mathematical problems. Vedic Mathematics provides a very different outlook towards the approach of solving linear Equation on parallel platform. It could be considered as a better approach for reducing space consumption and minimizing the number of algebraic operations involved in solving linear equation. In future Vedic Mathematics might serve as a viable solution for solving linear equation on parallel platform.