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Search results for: 1d/2d heterojunction
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Graphitic carbon nitride nanosheets decorated with HAp@Bi2S3 core–shell nanorods: Dual S-scheme 1D/2D heterojunction for environmental and hydrogen production solutions
PublicationBy combining different semiconductors, scientists have developed innovative materials capable of converting solar energy into useful forms of energy or driving chemical reactions that clean up pollutants. These materials offer a promising path to combat global environmental and energy challenges. In this study, HAp@Bi2S3 core–shell structures were synthesized using a facile microemulsion technique, and then loaded onto graphitic...
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Flow models 1D, 2D, 3D for diagonal pump
PublicationTrzy typowe modele stosowane w maszynach wirnikowych 1D, 2D, 3D zostały przedstawione w zastosowaniu do przepływu w pompie diagonalnej. W ramach modelu 1D przedstawiono prezentację procesu na wykresie energia -straty. W ramach modelu 2D pokazano wynik rozwiązania zadania odwrotnego prowadzącego do kształtu łopatek wirnika pompy. W ramach modelu 3D wykonano obliczenia programem FLUENT pokazując charakterystyczne cechy dwóch różnie...
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Modele 1D i 2D przepływu w pompie diagonalnej
PublicationW pracy przedstawiono nowe podejście do rozwiązania zadania konstrukcyjnego pompy w ramach modelu osiowo-symetrycznego typu 2D. Przykład obliczeniowy cytowany w artykule przedstawia wirnik pompy diagonalnej poddanej obliczeniom 3D.Przedstawiono także nowy sposób prezentacji procesu tłoczenia w pompie diagonalnej w ramach modelu 1D w postaci wykresu energia - straty energii.
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0D, 1D, 2D molybdenum disulfide functionalized by 2D polymeric carbon nitride for photocatalytic water splitting
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Experimental Investigation of Elastic Waves Propagation in 1D and 2D Structures with Faults.
PublicationW pracy omówiono wyniki pomiarów fal sprężystych w prętach, belkach i płytach z uszkodzeniami.
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Recent Applications of 1D GC-MS and 2D GC-MS in Foodomics Studies
PublicationGas chromatography coupled with mass spectrometry and food chemistry have been tightly linked since the 1960s. This setup is also an integral part of the omics studies when it comes to low mass metabolites. Therefore, the marriage of GC-MS and foodomics is obvious. Two-dimensional gas chromatography coupled with mass spectrometry fits perfectly within the latest trends in foodomics, since it is tailored for holistic food analysis....
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ADAPTIVE METHOD FOR THE SOLUTION OF 1D AND 2D ADVECTION-DIFFUSION EQUATIONS USED IN ENVIRONMENTAL ENGINEERING
PublicationThe paper concerns the numerical solution of one-dimensional (1D) and two-dimensional (2D) advection-diffusion equations. For the numerical solution of the 1D advection-diffusion equation a method, originally proposed for solution of the 1D pure advection equation, has been developed. A modified equation analysis carried out for the proposed method allowed increasing of the resulting solution accuracy and consequently, to reduce...
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Electrochemical performance of MOF-5 derived carbon nanocomposites with 1D, 2D and 3D carbon structures
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Spatially Resolved Degradation in Heterophasic Polymers From 1D and 2D Spectral–Spatial ESR Imaging Experiments
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Heterojunction of (P, S) co-doped g-C3N4 and 2D TiO2 for improved carbamazepine and acetaminophen photocatalytic degradation
PublicationNovel photocatalysts of phosphorus and sulfur co-doped graphitic carbon nitride incorporated in 2D TiO2 structure were successfully fabricated and applied for solar-driven degradation of emerging pollutants from the group of pharmaceuticals not susceptible to biodegradation. The hybrid photocatalysts with different loadings of (P, S)-doped g-C3N4 were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR),...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Visualizing the Dose Distribution and Linear Energy Transfer by 1D and 2D ESR Imaging: A Potassium Dithionate Dosimeter Irradiated with C6+ and N7+ Ions
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublicationA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Research 1: Heterojunction of (P, S) co-doped g-C3N4 and 2D TiO2 for improved carbamazepine and acetaminophen photocatalytic degradation
Open Research DataThe first research article consisted on the synthesis of phosphorus and sulfur co-doped graphitic carbon nitride incorporated in 2D TiO2 structure for solar-driven degradation of emerging pollutants from the group of pharmaceuticals not susceptible to biodegradation. The hybrid photocatalysts with different loadings of (P, S)-doped g-C3N4 were characterized...
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Fracture Energy of Bonded Joints with 2D Elastic Adhesive Layer
PublicationWhen bonded joint is subjected to mode I fracture loading, the adhesive joints analytical solutions treats the adhesive layer, usually, as not existing or 1D Hooke elastic layer. In the case of 1D elastic layer, represented as Hookes spring element, is acting, only, in direction contrary to the applied load. Basing on the information yielded from sensitive laser profilometry technique, where deflections of bonded part of the joint...
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Analysis of Floodplain Inundation Using 2D Nonlinear Diffusive Wave Equation Solved with Splitting Technique
PublicationIn the paper a solution of two-dimensional (2D) nonlinear diffusive wave equation in a partially dry and wet domain is considered. The splitting technique which allows to reduce 2D problem into the sequence of one-dimensional (1D) problems is applied. The obtained 1D equations with regard to x and y are spatially discretized using the modified finite element method with the linear shape functions. The applied modification referring...
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Flavonoids from Pseudotsuga menziesii
PublicationFour O-acetylated flavonol glycosides, new in the plant kingdom, were isolated from the needles of Pseudotsuga menziesii. Their structures were established by 1D and 2D NMR and MS data.
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Study of ultraviolet-visible fluorescence emission following resonant Auger decay of the 2p-1nl core-excited states of argon atoms
PublicationWe have studied the excitation and relaxation of Ar+ ions populated in resonant Auger decay from the Ar 2p−1nl core-excited states by using ultraviolet-visible fluorescence spectroscopy and photon-photon delayed coincidence technique. Fluorescence emission yields were measured in the photon energy range of 240-–255 eV for the 3s23p4(1D)5s(2D) → 3s23p4(1D)4p(2F) (393 nm) and 3s23p4(1D)4d(2F) → 3s23p4(1D)4p(2F) (335 nm) transitions...
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Modelling method for a class of distributed-lumped parameter systems
PublicationThe paper presents an alternative approach for modelling and order reduction of continuous system. The proposed methodology combines application of two methods: the modal decomposition method and the rigid finite element method. The given continuous structure is divided into 1D continuous substructures. For each 1D substructure modal decomposition and reduction procedure is applied. Interactions between substructures are described...
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Wykorzystanie analizy falkowej do odszumiania oraz kompresji sygnałów
Publicationw pierwszej części referatu przedstawiono informacje teoretyczne dotyczące analizy falkowej. szczegółowo omówione zostały cwt, dwt oraz pakiety falkowe. druga część referatu to zastosowanie praktyczne falek do poprawy jakości oraz kompresji sygnałów 1d oraz 2d.
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Chapter 1. Modelling of temperature field of cylindrical pool boiling heating section
PublicationPoddano analizie fundamentalny problem określania temperatury powierzchni, na której zachodzi wrzenie. Rozpatrzono dwa przypadki ogrzewania sekcji: z zastosowaniem grzejnika patronowego oraz użyciem sekcji jako elementu oporowego. Sformułowano i rozwiązano zagadnienia brzegowe 1D, 2D ORAZ 3D. Przedstawiono wyniki obliczeń numerycznych z zastosowaniem MES.
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Floodsar: Automatic mapping of river flooding extent from multitemporal SAR imagery
PublicationFloodsar is an open-source tool for automatic mapping of the flood extent from a time series of synthetic aperture radar (SAR) imagery. Floodsar is unsupervised, however, it requires defining the parameters search space, geographical area of interest, and some river gauge observations (e.g. water levels or discharges) time series that overlap temporarily with the SAR imagery. Applications of Floodsar are mainly in real-time monitoring...
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Isolation of xanthone and benzophenone derivatives from Cyclopia genistoides (L.) Vent. (honeybush) and their pro-apoptotic activity on synoviocytes from patients with rheumatoid arthritis
PublicationA fast and efficient method for the isolation of the C-glucosidated xanthones mangiferin and isomangiferin from the South-African plant Cyclopia genistoides was developed for the first time. Two benzophenone derivatives: 3-C-β-glucosides of maclurin and iriflophenone, were isolated from C. genistoides extracts using semi-preparative. The structures of the compounds were determined by 1D and 2D NMR experiments and/or LC-DAD-ESI–MS.
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Flood Modelling and Risk Analysis of Cinan Feizuo Flood Protection Area, Huaihe River Basin
PublicationThis study evaluated multiple aspects of flood risks and effects on the Cinan Feizuo flood protection area in the Huaihe River basin. Flooding remains a leading problem for infrastructure, especially in urban, residential areas of the region. Effective flood modeling for urbanized floodplains is challenging, but MIKE (ID-2D) is paramount for analyzing and quantifying the risk in the vulnerable region. The Saint-Venant equation...
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Numerical Solution of the Two-Dimensional Richards Equation Using Alternate Splitting Methods for Dimensional Decomposition
PublicationResearch on seepage flow in the vadose zone has largely been driven by engineering and environmental problems affecting many fields of geotechnics, hydrology, and agricultural science. Mathematical modeling of the subsurface flow under unsaturated conditions is an essential part of water resource management and planning. In order to determine such subsurface flow, the two-dimensional (2D) Richards equation can be used. However,...
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Room temperature depinning of the charge-density waves in quasi-two-dimensional 1T-TaS2 devices
PublicationWe report on the depinning of nearly commensurate charge-density waves in 1T-TaS2 thin films at room temperature. A combination of the differential current–voltage measurements with the low-frequency noise spectroscopy provides unambiguous means for detecting the depinning threshold field in quasi-2D materials. The depinning process in 1T-TaS2 is not accompanied by an observable abrupt increase in electric current—in striking contrast...
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Analysis of the bulk solid flow during gravitational silo emptying using X-ray and ECT tomography
PublicationW pracy przedstawiono wyniki pomiarów zmian koncentracji piasku bezkohezyjnego zachodzących w prostokątnym modelu silosu opróżnianym grawitacyjnie. Pomiary wykonano z zastosowaniem kontynualnego promieniowania rentgenowskiego oraz z użyciem tomografii pojemnościowej. Badania wykonano dla zróżnicowanego zagęszczenia początkowego piasku oraz różnego stopnia szorstkości ścian. Szczególny nacisk położono na zachowanie sie materiału...
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Kontrola parametrów obwodu wymuszającego w quasi-statycznych magnetycznych badaniach nieniszczących stali, cz. I: Model analityczny i 2D
PublicationW artykule zaprezentowane zostało dwuwymiarowe modelowanie Metodą Elementów Skończonych (MES) układu do badań nieniszczących (ang. non-destructive testing, w skrócie NDT), składającego się z elektromagnesu jarzmowego i płyty ferromagnetycznej magnesowanej w sposób quasi-statyczny. Wykazane zostały ograniczenia stosowalności opartych na równaniach Maxwella obliczeń analitycznych 1D, które przynoszą zadowalające wyniki jedynie w...
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ECT image analysis methods for shear zone measurements during silo discharging process
PublicationW pracy przedstawiono wyniki pomiarów zmian koncentracji piasku bezkohezyjnego zachodzących w cylindrycznym modelu silosu opróżnianym grawitacyjnie, w którym występowały silne efekty dynamiczne. Pomiary wykonano z zastosowaniem tomografii pojemnościowej. Badania przeprowadzono dla zróżnicowanego zagęszczenia początkowego piasku oraz różnego stopnia szorstkości ścian. Szczegółowej analizie poddano zmianę koncentracji materiału sypkiego...
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Structural Variety of Cobalt(II), Nickel(II), Zinc(II), and Cadmium(II) Complexes with 4,4′-Azopyridine: Synthesis, Structure and Luminescence Properties
PublicationSelf-assembled bi- and polymetallic complexes of CoII, NiII, ZnII, and CdII were obtained by the reaction of 4,4′-azopyridine (azpy) with metal tri-tert-butoxysilanethiolates (Co, 1; Cd, 2), acetylacetonates (Ni, 3; Zn, 4), and acetates (Cd, 5). All compounds were characterized by single-crystal X-ray structure analysis, elemental analysis, FTIR spectroscopy, and thermogravimetry. Complexes 1, 2 and 4, 5 exhibit diverse structural...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Determination of magnetisation conditions in a Double-Core Barkhausen Noise measurement set-up
PublicationThe magnetic Barkhausen effect is useful forassessing 1D and 2D stress states of ferromagnetic steelobjects. However, its extension to technically importantmaterials, such as duplex anisotropic steels, remains challenging. The determination of magnetisation inside the studied object and the electromagnet for various geometries, materials and magnetisation angles is a key issue.Three-dimensional, dynamic finite element analysis...
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2D Mathematical Model of the Commutator Sliding Contact of an Electrical Machine
PublicationW artykule przedstawiono model matematyczny 2D komutatorowego zestyku ślizgowego z wieloma stopniami swobody. W modelu uwzględniono zmienne wymuszenia działające na szczotkę. Wymuszenia te są wynikiem falistości wirującego komutatora. Szczotka została zamodelowana jako system wielu mas, elementów sprężystych i tłumików rozłożonych w kierunku stycznym i promieniowym. Zamodelowano wszystkie oddziaływania lepkosprężyste pomiędzy komutatorem...
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Towards sugar-derived polyamides as environmentally friendly materials
PublicationAs part of our ongoing study investigating isohexide-based polyamides, we have synthesized isosorbide(bis(propan-1-amine)) (DAPIS) and studied its reactivity in the polymerization towards fully biobased polyamides. Polycondensation of nylon salts with various contributions of DAPIS afforded a family of homo- and copolyamides, which were characterized using complementary spectroscopic techniques. The chemical structure of the materials...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublicationUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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Chiral analysis of chloro intermediates of methylamphetamine by one-dimensional and multidementional NMR and GC/MS
PublicationImpurity profiling and classification of abused drugs using chiral analytical techniques is of particular interest and importance because of the additional information obtained fromthis approach. When these methods are applied to the synthesis of illicitly used substances, they can supply valuable information about the conditions/chemicals used in the synthesis. We have applied GC and NMR methods to the study of intermediates found...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublicationBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublicationDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublicationA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Implementation of Solute Transport in the Vadose Zone into the “HYDRUS Package for MODFLOW”
PublicationThe “HYDRUS package for MODFLOW” is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS‐1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated‐unsaturated...
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Variable Data Structures and Customized Deep Learning Surrogates for Computationally Efficient and Reliable Characterization of Buried Objects
PublicationIn this study, in order to characterize the buried object via deep-learning-based surrogate modeling approach, 3-D full-wave electromagnetic simulations of a GPR model has been used. The task is to predict simultaneously and independent of each characteristic parameters of a buried object of several radii at different positions (depth and lateral position) in various dispersive subsurface media. This study has analyzed variable...
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A Quasi-2D MOSFET Model — 2D-to-Quasi-2D Transformation
PublicationA quasi-two-dimensional (quasi-2D) representation of the MOSFET channel is proposed in this work. The representation lays the foundations for a quasi 2D MOSFET model. The quasi 2D model is a result of a 2D into quasi 2D transformation. The basis for the transformation are an analysis of a current density vector field and such phenomena as Gradual Channel Detachment Effect (GCDE), Channel Thickness Modulation Effect (CTME), and...
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Buried Object Characterization by Data-Driven Surrogates and Regression-Enabled Hyperbolic Signature Extraction
PublicationThis work addresses artificial-intelligence-based buried object characterization using FDTD-based electromagnetic simulation toolbox of a Ground Penetrating Radar (GPR) to generate B-scan data. In data collection, FDTD-based simulation tool, gprMax is used. The task is to estimate geophysical parameters of a cylindrical shape object of various radii, buried at different positions in the dry soil medium simultaneously and independently...
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The effect of boron concentration on the electrical, morphological and optical properties of boron-doped nanocrystalline diamond sheets: Tuning the diamond-on-graphene vertical junction
PublicationIn this paper, the effect of boron doping on the electrical, morphological and structural properties of free-standing nanocrystalline diamond sheets (thickness ~ 1 μm) was investigated. For this purpose, we used diamond films delaminated from a mirror-polished tantalum substrate following a microwave plasma-assisted chemical vapor deposition process, each grown with a different [B]/[C] ratio (up to 20,000 ppm) in the gas phase....
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1D Model Callibration on the Basis on 3D calculations for Tesla Turbine
PublicationThe paper presents the system of equations for axisymmetriclaminar flow, after averaging, through the width of interdisk slit ofTesla turbine. Coefficients were introduced, as a result ofaveraging, that improve the efficiency of 1D model. The minimalnumber of such coefficients was determined. The 1D modelmakes it possible to attain analytical solutions to an accuracylimited by these coefficients. Calibration of 1D model depends...
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2D Materials
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Assembly of 1D Granular Structures from Sulfonated Polystyrene Microparticles
PublicationBeing able to systematically modify the electric properties of nano- and microparticles opens up new possibilities for the bottom-up fabrication of advanced materials such as the fabrication of one-dimensional (1D) colloidal and granular materials. Fabricating 1D structures from individual particles offers plenty of applications ranging from electronic sensors and photovoltaics to artificial flagella for hydrodynamic propulsion....
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HMSE: A tool for coupling MODFLOW and HYDRUS-1D computer programs
PublicationA new software HMSE has been developed to facilitate external coupling between two well-known programs for subsurface flow modeling: MODFLOW-2005 (saturated zone flow) and HYDRUS-1D (unsaturated zone flow). Two coupling schemes have been implemented. In the first case the groundwater recharge flux is calculated by HYDRUS-1D assuming a fixed water table position and then passed to MODFLOW input files. In the second case the water...
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Comparison of 2D and 3D culture models in the studies of the biological response induced by unsymmetrical bisacridines in cancer cells
PublicationMulticellular tumor spheroids are a good tool for testing new anticancer drugs, including those that may target cancer stem cells (CSCs), responsible for cancer progression, metastasis, and recurrence. Therefore, following the initial evaluation of the impact of antitumor unsymmetrical bisacridines (UAs) on lung and colon cancer cells using traditional monolayer cultures, I extended my investigations and applied the spherical model....