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Search results for: GRANULAR MATTER SIMULATION
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First-principles calculations for phonons in AgGaX2(X = Se,Te) chalcopyrite crystals
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Structure and elastic properties of Mg(OH)2from density functional theory
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Correlated electrons and transport in a quantum point contact and in a double-quantum-dot system
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An analytic approach to the conductance and I-V characteristics of polymeric chains
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Role of electronic correlations in the transport characteristics of molecular junctions
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Defect-induced conductance oscillations in short atomic chains
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Quasibound states and transport characteristics of Au chains with a substitutional S impurity
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Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
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Superconducting properties and electronic structure of NaBi
PublicationResistivity, dc magnetization, and heat capacity measurements are reported for superconducting NaBi. Tc, the electronic contribution to the specific heat γ, the ΔCp/γTc ratio, and the Debye temperature are found to be 2.15 K, 3.4 mJ mol−1 K−2, 0.78, and 140 K respectively. The calculated electron–phonon coupling constant (λep = 0.62) implies that NaBi is a moderately coupled superconductor. The upper critical field and coherence...
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237Np Mössbauer effect study on NpFeAsO
PublicationWe report 237Np Mössbauer measurements on NpFeAsO. The Np atoms were found to occupy only one crystallographic site. The value of the isomer shift (δ ∼ 9.1 mm s−1 versus NpAl2) indicates a 5f4 electronic configuration (Np3+ ions). The magnetic ordering of the Np sublattice below 60 K is established and the saturated ordered magnetic moment is determined to be 1.73μB at 3.6 K. The unique set of hyperfine parameters exclude a modulated...
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Superconductivity in the Einstein solid VAl10.1
PublicationWykonano pomiary podatności magnetycznej, oporu elektrycznego i ciepła właściwego dla VAl10.1. VAl10.1 jest nadprzewodnikiem II-go rodzaju z temperaturą krytyczną T_c = 1.53 K i górnym polem krytycznym 800 Oe.
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Pressure-induced phase transitions in LnTe (Ln=La, Gd, Ho, Yb) and AmTe
PublicationThe structural behaviour under compression of different lanthanide (La, Gd, Ho, Yb) and actinide (Am) monochalcogenides is studied by means of in situ high-pressure x-ray diffraction. All the investigated compounds crystallize at ambient conditions within a cubic (B1) NaCl-type structure but show different behaviours at high pressures. LaTe and AmTe undergo B1 to B2 (CsCl-type structure) phase transitions, starting at 9 GPa and...
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Absence of superconductivity in fluorine-doped neptunium pnictide NpFeAsO
PublicationX-ray diffraction, specific heat, magnetic susceptibility and inelastic x-ray scattering measurements on the transurarium oxypnictides NpFeAsO and NpFeAsO0.85F0.15 are presented. No superconductivity down to 2 K was observed upon fluorine doping, contrary to the structurally analogous rare-earth pnictides. No modification of the phonon density of states was observed upon doping with fluorine. We discuss our results in light of...
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The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublicationWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
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Spin probe dynamics in relation to free volume in crystalline organics from ESR and PALS: N-tridecane
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Impact of yttria stabilization on Tb3+ intra-shell luminescence efficiency in zirconium dioxide nanopowders
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Superconductivity and itinerant ferromagnetism of Y9Co7 probed by ac susceptibility
PublicationThe ac magnetic susceptibility of a single crystal sample of the compound Y9Co7 has been measured in applied dc fields ranging from 0–6.7 kOe by utilizing a tunnel diode resonator circuit. In agreement with previous measurements on this material, a superconducting transition has been observed to occur at TSC ≈ 2.5 K. A broad maximum has been observed in the zero field susceptibility measurements from 2.5 K < T < 8 K and its behavior...
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Testing interaction models by using x-ray absorption spectroscopy: solid Pb
PublicationPraca prezentuje zastosowanie metody EXAFS jako narzędzia do testowania potencjałów oddziaływań międzyatomowych używanych w symulacjach dynamiczno-molekularnych na przykładzie czystego ołowiu w fazie stałej (od temperatury pokojowej do temperatury topnienia). Testowaniu poddano następujące potencjały: dwuciałowy empiryczny potencjał Dzugutova, Larssona i Ebbsjo (DLE), potencjał ciasnego wiązania (TB) i potencjał w modelu osadzonego...
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Modulated photocurrents in a sandwich-cell structure: II. Influence of biasillumination intensity and carrier diffusion
PublicationPodano przybliżone wyrażenia opisujące modulowane fotoprądy (na podstawiemodelu wielokrotnego pułapkowania) w uwzględnieniem czynników wymienionych wtytule. Zbadano numerycznie ich wpływ na modulowane fotoprądy dla modelowychrozkładów pułapek. Otrzymano wzór - kryterium zaniedbania wpływu dyfuzji nafotoprądy.
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Quenching of bright and dark excitons via deep states in the presence of SRH recombination in 2D monolayer materials
PublicationTwo-dimensional (2D) monolayer materials are interesting systems due to an existence of optically non-active dark excitonic states. In this work, we formulate a theoretical model of an excitonic Auger process which can occur together with the trap-assisted recombination in such 2D structures. The interactions of intravalley excitons (bright and spin-dark ones) and intervalley excitons (momentum-dark ones) with deep states located...
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Synthesis, structure and physical properties of new intermetallic spin glass-like compounds RE2PdGe3 (RE = Tb and Dy)
PublicationNew intermetallic compounds Tb2Pd1.25Ge2.75 and Dy2Pd1.25Ge2.75 have been synthesized using the arc-melting method. The crystallographic structure and magnetic, electronic transport, and thermal properties are reported. The crystal structure obtained from powder x-ray diffraction analysis suggests that these compounds crystallize in the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.228 53(5)/4.230 54...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Structure and paramagnetism in weakly correlated Y8Co5
PublicationWe report the basic physical properties of monoclinic Y8Co5 determined by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. The crystal structure of Y8Co5 is monoclinic (P21/c) with lattice parameters a = 7.0582(6) Å, b = 7.2894(6) Å, c = 24.2234(19) Å, and β = 102.112(6)° as refined by using synchrotron powder x-ray diffraction data. The compound shows temperature independent paramagnetism...
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The forming and emission of high power electromagnetic pulses
PublicationAn impulse energy source, a power conditioning system and an electromagnetic field emitter are essential to generate an electromagnetic field pulse (EMFP) with a specific frequency bandwidth. Selected simulation results for a power conditioning system consisting of a fuse opening switch and a paraboloidal electromagnetic emitter have been presented in this article. The synthetic system examined in the simulation is powered by...
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Modeling Parallel Applications in the MERPSYS Environment
PublicationThe chapter presents how to model parallel computational applications for which simulation of execution in a large-scale parallel or distributed environment is performed within the MERPSYS environment. Specifically, it is shown what approaches can be adopted to model key paradigms often used for parallel applications: master-slave, geometric parallelism (single program multiple data), pipelined and divide-and-conquer applications....
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Low harmonic multipulse voltage converters using coupled reactors
PublicationThis paper presents a novel approach to the multi pulse voltage converters (VC), especially voltage source inverters (VSI) and matrix converters (MC) based on several typical identical modules connected in parallel using coupled reactors. Such arrangements resulting in lower voltage distortions at extremely low switching frequency. The proposed arrangement was validated by simulation. Laboratory models of 18- and 24pulse 3-level...
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Generowanie modeli symulacyjnych na potrzeby systemu ekspertowego wspomagającego projektowanie układów automatyki statku
PublicationOmówiono automatyczne generowanie modeli symulacyjnych na potrzeby systemu ekspertowego wspomagającego projektowanie układów automatyki statków. Na podstawie przyjętych założeń projektowych system ekspertowy zleca badania wybranych struktur podsystemów elektroenergetycznych statków. Aplikacja symulacyjna pobiera z biblioteki modele matematyczne elementów składowych struktur, a następnie zestawia modele symulacyjne, wykonuje badania...
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Charakterystyka odcieków powstających w aspekcie wyboru metody ich oczyszcania
PublicationArtykuł obejmuje analizę odcieków generowanych w zakładach utylizacji odpadów w aspekcie ich ilości i jakości oraz możliwości oczyszczania/zagospodarowania, ze szczególnym zwróceniem uwagi na metody biologiczne, najbardziej przyjaznej środowisku. Ponad trzyletnie badania prowadzono na dwóch obiektach zlokalizowanych w woj. pomorskim, gdzie pobierano próbki ścieków technologicznych, powstających podczas sortownia oraz kompostownia odpadów...
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Reject water and landfil leachate treatment with hydrophyte method - preliminary results
PublicationTreatment of landfill leachate (LL) and reject water (RWC) from dewatering of digested sludge in WWTPs have become one of the actual problems. Treatment of both types of wastewater is in many cases very costly and difficult due to quality and quantity fluctuations in time as well as high concentrations of specific pollutants. In case of our investigation the TSS concentration in RWC was two times higher than in LL. The shere of...
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Use of Brassica plants in the phytoremediation and biofumigation processes
PublicationIn recent decades, serious contamination of soils by heavy metals has been reported. It is therefore a matter of urgency to develop a new and efficient technology for removing contaminants from soil. Another aspect to this problem is that environmental pollution decreases the biological quality of soil, which is why pesticides and fertilizers are being used in ever-larger quantities. The environmentally friendly solutions to these...
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total number and biomass of bacteria in drinking water distribution systems.
PublicationIn the vast water supply network using traditional methods of treatment it is often impossible to maintain a constant and acceptable microbiological quality of water. In Poland the main reason of bacterial re-growth is presence of organic matter and nutrients in the circulating water and prolonged water retention in the network systems due to the decrease of water consumption, which has been observed for the last 20 years. In the...
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EMG and gaze based interaction with graphic interface of smart glasses application
PublicationIn this paper we investigate the effectiveness of the interaction using eye tracking and electromyography. Smart glasses requires reliable interfaces for controlling the graphic content displayed directly in front of the user's eye. Presented research is related with the eGlasses project, which is focused on the development of an open platform in the form of multisensory electronic glasses and related interaction methods. One of...
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Design of battery charging system update for glider launcher
PublicationThis paper presents an innovative solution for increasing life of lead-acid batteries used in a glider launcher. The study is focused on upgrading a charging system instead of a costly full replacement of it. Based on literature review, the advanced three-stage charging profile was indicated. The new topology of the power converter was proposed and a simulation model was developed. A simulation study was performed which leads to...
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Resonance problems in UHV transmission lines
PublicationThe paper presents resonance phenomena observed in 400 kV transmission lines in the Polish power system. Two events are analysed, when shunt reactors used for reactive power compensation, caused overvoltages and overcurrent protection tripping as a result of resonance. An oscillographic fault recordings from protection devices are compared to time domain simulation results. The obtained simulation results match fault recordings,...
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Dynamic Positioning System with Vectorial Backstepping Controller
PublicationThe problem of synthesis a dynamic positioning system for low frequency model of surface vessel was considered in this paper. The recursive vectorial backstepping control design was used to keep a fixed position and heading in presence of wave disturbances. The passive observer was introduced to smooth the measurements and to estimate the velocities needed for the control algorithm. Some parameters of observer were optimized off-line...
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Economics of credit scoring management
PublicationCredit scoring models constitute an inevitable element of modern risk and profitability management in retail financial lending institutions. Quality,or separation power of a credit scoring model is usually assessed with the Gini coefficient. Generally, the higher Gini coefficient the better, as in this way a bank can increase number of good customers and/or reject more bad applicants. In...
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Modeling of a Quasi-Resonant DC Link Inverter Dedicated to Common-Mode Voltage and Ground Current Reduction
PublicationIn this paper, the modeling methodology of the AC drive system with a Parallel Quasi-Resonant DC Link Inverter (PQRDCLI) is described. A presented modeling approach is an attractive tool used for the effective evaluation of a common-mode (CM) voltage and grounds current reduction methods. Designed models of inverter, induction machine (IM), and cable are simple, thus the methods for parameter extraction are not complicated. Verification...
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Effect of Pin Shape on Thermal History of Aluminum-Steel Friction Stir Welded Joint: Computational Fluid Dynamic Modeling and Validation
PublicationThis article studied the effects of pin angle on heat generation and temperature distribution during friction stir welding (FSW) of AA1100 aluminum alloy and St-14 low carbon steel. A validated computational fluid dynamics (CFD) model was implemented to simulate the FSW process. Scanning electron microscopy (SEM) was employed in order to investigate internal materials’ flow. Simulation results revealed that the mechanical work...
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Experiments with the Universal Constructor in the DigiHive Environment
PublicationThe paper discusses the performance and limitations of the universal constructor embedded in the DigiHive environment and presents the result of two simulation experiments showing the possibility of workaround the limitations.
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Wpływ modernizacji linii kolejowych na poprawę wybranych parametrów techniczno - eksploatacyjnych
PublicationW artykule przedstawiono pojęcie jakości robót inwestycyjnych poszczególnych elementów infrastruktury kolejowej oraz metody jej oceny. Skupiono uwagę na jakości początkowej nawierzchni kolejowej po pracach modernizacyjnych na sieci Polskich Linii Kolejowych. Wskazano błędy oraz najczęstsze problemy techniczne występujące w trakcie trwania robót oraz po ich zakończeniu na poszczególnych etapach odbiorów. Opisano wpływ jakości początkowej...
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A modern solid waste management strategy – the generation of new by-products
PublicationTo benefit the environment and society, EU legislation has introduced a ‘zero waste’ strategy, in which waste material should be converted to resources. Such legislation is supported by the solid waste hierarchy concept, which is a set of priorities in waste management. Under this concept, municipal solid waste plants (MSWPs) should be equipped with sorting and recycling facilities, composting/incineration units and landfill prisms...
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Thermally activated natural chalcopyrite for Fenton-like degradation of Rhodamine B: Catalyst characterization, performance evaluation, and catalytic mechanism
PublicationIn this work, catalytic activity of natural chalcopyrite (CuFeS2) was improved by thermal activation. The modified chalcopyrite was used as efficient catalyst for degradation of organic dye Rhodamine B (RhB) through advanced oxidation process (AOP). Effects of catalyst dosage, H2O2 concentration, reaction temperature, solution pH, anions, and natural organic matter on the degradation efficiency of RhB were investigated. This study...
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Seasonal contributions of nutrients from small urban and agricultural watersheds in northern Poland
PublicationDiffuse sources of pollution like agricultural or urban runoff are important factors in determining the quality of surface waters, although they are more difficult to monitor thanpointsources.Theobjectiveofourstudywastoverifyassumptionsthattheinflow from agricultural nutrient sources is higher than from urbanized ones. It has been done by comparing the nutrients and organic matter concentrations and loads for three small streams...
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The influence of phosphorus fractions in bottom sediments on phosphate removal in semi-natural systems as the 3rd stage of biological wastewater treatment
PublicationThe research was carried out in two semi-natural systems (the polishing ponds in Swarzewo and the free water surface constructed wetland in Zarnowiec) in Poland. They were built as the 3rd stage of a conventional mechanical–biological wastewater treatment plant. These systems were built to improve the quality of the effluent of treated wastewater. In the polishing ponds and FWS wetland system, suspended solids, organic matter as...
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Influence of the boron doping level on the electrochemical oxidation of raw landfill leachates: advanced pre-treatment prior to the biological nitrogen removal
PublicationThe electrochemical oxidative treatment of landfill leachates (LLs) containing high amounts of ammonia nitrogen and organic matter was used as a promising method, prior to biological processes, to achieve the final effluent quality that would be acceptable by current regulations. The deposited boron-doped diamond electrodes (BDDs) with different boron doping concentrations (10000, 5000 and 500 ppm of B) were applied as anodes....
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A study on application of Smoothed Particle Hydrodynamics to multi-phase flows
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Numerical Analysis of TB32 Crash Tests for 4-cable Guardrail Barrier System Installed on the Horizontal Convex Curves of Road
PublicationHorizontal curves are one of the elements of road infrastructure where statistically a relatively high number of accidents have been reported. In the last ten years in Poland approx. 10% of all road accidents happened on horizontal curves of roads and was responsible for approx. 14% of all fatalities on Polish roads. Thus, this issue is important and requires extensive research and proper road safety treatments. One possible measure...
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Dynamiczna aplikacja Internetowa ASP.NET silnika indukcyjnego jako elementu wirtualnego laboratorium maszyn elektrycznych
PublicationTematem referatu jest dynamiczna aplikacja internetowa, która umożliwia symulację obwodową silnika indukcyjnego trójfazowego Sg 100 L2 z wykorzystaniem interfejsu przeglądarki WWW. Model matematyczny silnika jest zdefiniowany w tzw. osiach naturalnych i sformułowany na podstawie metody energetycznej Lagrange’a. Do implementacji modelu maszyny w aplikacji internetowej wybrano projekt typu Web Forms, który jest składnikiem środowiska...
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Ocena zastosowania wybranych reguł wymiany narzędzi w systemie produkcyjnym
PublicationIn this paper, an integrated analytical and simulation modelling framework has been developed with the objective to explore total system planning and operational issues. It enables in particular structuring the alternative process flow in manufacturing systems and their extended investigation under different tool exchange rules with limited number of tool inventory. Simulation studies performed with the proposed rules in the environment...
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Efficiency of the Use of LTE System Radio Resources in Highway Transport Enironment
PublicationThe paper describes the problem of analysis of throughput-coverage characteristics of the LTE system. Simulation results of the efficiency of the use of LTE radio resources are presented. Simulation studies on the basis of original model of the LTE network simulator were carried out. In addition, the evaluation of throughput for a single connection, and available capacity were evaluated in the context of the use of the same...