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Convergence of Monte Carlo algorithm for solving integral equations in light scattering simulations
PublikacjaThe light scattering process can be modeled mathematically using the Fredholm integral equation. This equation is usually solved after its discretization and transformation into the system of algebraic equations. Volume integral equations can be also solved without discretization using the Monte Carlo (MC) algorithm, but its application to the light scattering simulations has not been sufficiently studied. Here we present implementation...
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Simulations of the Derecho Event in Poland of 11th August 2017 Using WRF Model
PublikacjaThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with different initial and boundary conditions of the pressure and model levels derived from 5 global models: Global Forecast System (GFS), Global Data Assimilation System (GDAS), European Centre for Medium-Range...
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Numerical Simulations of Seepage in Dikes Using unsaturated and Two-Phase Flow Models
PublikacjaModeling of water flow in variably saturated porous media, including flood dikes, is often based on the Richards equation, which neglects the flow of pore air, assuming that it remains at constant atmospheric pressure. However, there is also evidence that the air flow can be important, especially when the connectivity between the pore air and atmospheric air is lost. In such cases a full two-phase air-water flow model should be...
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Determination of model's fixing boundary conditions for the numerical simulations of the dynamic experimental tests
PublikacjaZaprezentowano badania eksperymentalne oraz ich symulacje numeryczne przeprowadzone na płytach obciążanych impulsowo (wybuch mieszanki gazowej). Głównym obszarem zainteresowania pracy jest wyznaczenie warunków brzegowych w stosowanym modelu.
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Comparative molecular dynamics simulations of amphotericin B-cholesterol/ergosterol membrane channels
PublikacjaBadania polegały na przeprowadzeniu porównawczej dynamiki molekularnej dla dwóch typów kanałów amfoterycyny B. Obie symulacje różniły się rodzajem sterolu (cholesterol lub ergosterol). Na podstawie wyników przeprowadzonych prac ustalono jakie elementy strukturalne badanych kanałów mogą być odpowiedzialne za selektywne działanie amfoterycyny B.
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Numerical simulations of transverse pounding-involved response of buildings due to earthquake excitation.
PublikacjaCelem artykułu jest analiza (w kierunku poprzecznym) zachowania się uderzających o siebie budynków podczas trzęsienia ziemi. W analizie tej obie konstrukcje modelowane są przy użyciu dyskretnego, sprężysto-plastycznego modelu o skupionych masach, zaś do symulacji zderzeń zastosowano nieliniowy model lepko-sprężysty. Wyniki analizy pokazują, iż zderzanie prowadzi do znacznego wzrostu odpowiedzi w kierunku poprzecznym dla konstrukcji...
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Neural simulation pipeline: Enabling container-based simulations on-premise and in public clouds
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Particulate organic carbon in the southern Baltic Sea: numerical simulations and experimental data
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Numerical Simulations of DDT Limits in Hydrogen-Air Mixtures in Obstacle Laden Channel
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Nanomechanical Stability of Aβ Tetramers and Fibril-like Structures: Molecular Dynamics Simulations
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Growth of polymer brushes by “grafting from” via ATRP – Monte Carlo simulations
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Molecular dynamics insights into protein‐glycosaminoglycan systems from microsecond‐scale simulations
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Local and long range potentials for heparin‐protein systems for coarse‐grained simulations
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Structural Insights into σ1 Receptor Interactions with Opioid Ligands by Molecular Dynamics Simulations
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<title>Cavity control system model simulations for the TESLA linear accelerator</title>
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Numerical simulations of the influence of injection moulding parameters on mechanical properties of the polyamide composite
PublikacjaZaprezentowano wyniki symulacji numerycznej wpływu parametrów technologicznych procesu wtryskiwania na wybrane właściwości mechaniczne kompozytu poliamidowego. Symulacje przeprowadzono z wykorzystaniem programu Cadmould-3d.
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Modelling of wave propagation in spatial frame elements - numerical simulations and experimental works
PublikacjaW pracy porównano rozwiązania propagacji fal sprężystych w ośrodku typu belka Timoszenki, uzyskane na drodze eksperymentalnej i numerycznej. Do obliczeń numerycznych wykorzystano wielowęzłowe spektralne elementy skończone klasy C0.Omówiono algorytm całkowania po czasie i sformułowano wnioski dotyczące liczby węzłów na długość fali.
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublikacjaThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Discrete Green's function approach to disjoint domain simulations in 3D FDTD method
PublikacjaA discrete Green’s function (DGF) approach to couple 3D FDTD subdomains is developed. The total-field/scattered-field subdomains are simulated using the explicit FDTD method whilst interaction between them is computed as a convolution of the DGF with equivalent current sources measured over Huygens surfaces. In the developed method, the DGF waveforms are truncated using the Hann’s window. The error varies in the range -65 to -40...
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Constitutive Modelling of Knitted Abdominal Implants in Numerical Simulations of Repaired Hernia Mechanics
PublikacjaThe paper presents a numerical approach to describe mechanical behavior of anisotropic textile material, which is a selected abdominal prosthesis. Two constitutive nonlinear concepts are compared. In the first one the material is considered composed from two families of threads (dense net model) and in the second one the material is homogeneous but anisotropic (as proposed by Gassel, Ogden, Holzapfel). Parameters of both models...
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3D DEM SIMULATIONS OF BASIC GEOTECHNICAL TESTS WITH EARLY DETECTION OF SHEAR LOCALIZATION.
PublikacjaW artykule przedstawiono rezultaty numeryczne dla podstawowych testów geotechnicznych: testu trójosiowego ściskania oraz w aparacie bezpośredniego ścinania dla piasku bez kohezji. Wszystkie testy zostały wykonane w 3D, a piasek został wymodelowany w postaci kulek wraz z momentami symulującymi nieregularny kształt ziarna. Podczas badań sprawdzono wpływ parametrów fizycznych (m. in. początkowy wskaźnik porowatości, obciążenie pionowe...
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Dynamic FE simulations of buckling process in thin-walled cylindrical metal silos
PublikacjaW artykule przedstawiono wyniki dynamicznej analizy wyboczeniowej cienkościennych silosów metalowych o przekroju kołowym. Analizy MES wykonano dla wstępnych imperfekcji geometrycznych o różnym kształcie i amplitudzie. Wyniki analizy dynamicznej porównano z analizami statycznymi.
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FE-simulations of a direct and a true simple shear test within a polar hypoplasticity
PublikacjaW artykule przedstawiono wyniki numerycznej analizy testu bezpośredniego ścinania i testu prostego ścinania w materiałach granulowanych. Obliczenia wykonano stosując metodę elementów skończonych i mikropolarne hipoplastyczne prawo konstytutywne. W analizie uwzględniono lokalizację odkształceń stycznych.
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Simulations of Shear Zones and Cracks in Engineering Materials Using eXtended Finite Element Method
PublikacjaNumerical simulations of cracks and shear zones in quasi-brittle materials are presented. Extended Finite Element Method is used to describe both cracks and shear zones. In a description of tensile cracks, a Rankine criterion is assumed. A discrete Mohr-Coulomb law is adopted for simulations of shear zones. Results of simple numerical tests: unixial tension, bending and biaxial compression are demonstrated.
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Improvement of ships seakeeping performance by application of the Full-scale CFD simulations – case study
PublikacjaThe ship’s fuel economy is increasingly important. The paper presents the effect of redesigning a case study ship for increasing seakeeping performance. Selected wave parameters reflects very difficult operational con-ditions existing on the North Sea and the Baltic Sea. The analyzed variants of a case study ship represent the latest developments of modern hull forms. The concepts similar to V-shaped bulbous bow, X-bow, X-aft,...
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Numerical Simulations and Tracer Studies as a Tool to Support Water Circulation Modeling in Breeding Reservoirs
PublikacjaThe article presents a proposal of a method for computer-aided design and analysis of breeding reservoirs in zoos and aquariums. The method applied involves the use of computer simulations of water circulation in breeding pools. A mathematical model of a pool was developed, and a tracer study was carried out. A simplified model of two-dimensional flow in the form of a biharmonic equation for the stream function (converted into...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublikacjaWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems
PublikacjaGraphical Processor Units (GPUs) are nowadays widely used in all-atom molecular simulations because of the advantage of efficient partitioning of atom pairs between the kernels to compute the contributions to energy and forces, thus enabling the treatment of very large systems. Extension of time- and size-scale of computations is also sought through the development of coarse-grained (CG) models, in which atoms are merged into extended...
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Monte Carlo simulations of the fracture resistance degradation of asphalt concrete subjected to environmental factors
PublikacjaThe paper presents the results of laboratory tests of SCB (semi-circular beam) samples of asphalt concrete, subjected to the destructive effect of water and frost as well as the aging processes. The determined values of material parameters show significant dispersions, which makes the design of mixtures difficult. Statistical analysis of the test results supplemented by computer simulations made with the use of the proprietary...
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Expedited Trust-Region-Based Design Closure of Antennas by Variable-Resolution EM Simulations
PublikacjaThe observed growth in the complexity of modern antenna topologies fostered a widespread employment of numerical optimization methods as the primary tools for final adjustment of the system parameters. This is mainly caused by insufficiency of traditional design closure approaches, largely based on parameter sweeping. Reliable evaluation of complex antenna structures requires full-wave electromagnetic (EM) analysis. Yet, EM-driven...
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Design space reduction and variable-fidelity EM simulations for feasible Pareto optimization of antennas
PublikacjaA computationally efficient procedure for multi-objective optimization of antenna structures is presented. In our approach, a response surface approximation (RSA) model created from sampled coarse-discretization EM antenna simulations is utilized to yield an initial set of Pareto-optimal designs using a multi-objective evolutionary algorithm. The final Pareto front representation for the high-fidelity model is obtained using surrogate-based...
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Three dimensional simulations of FRC beams and panels with explicit definition of fibres-concrete interaction
PublikacjaHigh performance concrete (HPC) is a quite novel material which has been rapidly developed in the last few decades. It exhibits superior mechanical properties and durability comparing to normal concrete. HPC can achieve also superior tensile performance if strong fibres (steel or carbon) are implemented in the matrix. Thus, there exist the unabated interest in studying how the addition of different types of fibres modifies the...
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Novel strategies to enhance hydrodynamic cavitation in a circular venturi using RANS numerical simulations
PublikacjaHydrodynamic cavitation is a popular advanced oxidation technique and it has received wide range of applications from waste water treatment to the nanoparticles synthesis in recent years. The enhancement of the intensity of the hydrodynamic cavitation is always been an emerging field of research. Within this framework, we have proposed and investigated three distinct strategies to enhance the intensity of cavitation in a circular...
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Electrical Simulations of the SIS100 Superconducting Dipole and Quadrupole Circuits: Transients, Earthing and Failure Modes
PublikacjaThe 100 Tm superconducting synchrotron SIS100 is the main accelerator of the international Facility for Antiproton and Ion Research (FAIR) currently under advanced construction in Darmstadt, Germany. The SIS100 dipole circuit which creates the magnetic field required to bend the beam, consists of 108 dipoles distributed over six arc sections of the ring. The magnetic field for the beam focusing is generated by three individual...
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Fracture simulations in concrete beam under bending using a mesoscopic model with cohesive elements
PublikacjaThe main aim of this paper was to investigate a complex fracture process in a concrete beam subjected to 3-point bending test by means of the 2D meso-scale FEM with 4-node cohesive elements embedded in the initial mesh of 3-node solid elements. The material heterogeneity was taken into account by considering 3 different phases (aggregate, cement matrix, ITZs) on the basis of randomly generated internal structure of concrete and...
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Ampacity of power cables exposed to solar radiation – recommendations of standards vs. CFD simulations
PublikacjaThe aim of the paper is to evaluate the ampacity of a low-voltage single power cable according to: 1) recommendations of the standard IEC 60287, 2) a Computational Fluid Dynamics method, implemented in Ansys software; and comparison of the results obtained for these two cases. Moreover, limitations of recommendations of the above mentioned standard are indicated.
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Model test and numerical simulations of earth pressure of non-cohesive soil in 3D formulation.
PublikacjaW pracy przedstawiono wyniki badań modelowych i obliczeń numerycznych parcia gruntu niespoistego w układzie przestrzennym działajacego na sztywną ścia- nę oporową. Podstawowe schematy wyznaczenia parcia gruntu na sztywną ścianę oporową opatre sa na obrocie ściany wokół jej wierzchołka i podstawy. Uzys- kane wyniki obliczeń przedstawiono jako rozkład składowych statycznych i normalnych wzdłuż sciany. Podano również wypadową parcia...
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Parallel simulations of electrophysiological phenomena in myocardium on large 32 and 64-bit Linux clusters.
PublikacjaW pracy podjęto badania i przeprowadzono symulacje zjawisk elektrofizjologicznych w mięśniu sercowym z wykorzystaniem wytworzonego w tym celu oprogramowania równoległego opartego na MPI. Zaimplementowano i zbadano ulepszenia kodu prowadzące do uzyskania dobrej skalowalności oraz przeprowadzono testy wydajności na najnowszych 32 i 64-bitowych klastrach linuksowych. Praca stanowi próbę równoległej implementacji znanego podejścia...
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Diffusive properties of solvent molecules in the neighborhood of a polymer chain as seen by Monte-Carlo simulations
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Which Simulator to Choose for Next Generation Wireless Network Simulations? NS-3 or OMNeT++
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The 4th Generation of CeSFaMB in numerical simulations for CuO-based oxygen carrier in CLC system
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Selection and Setting of an Intelligent Fuzzy Regulator based on Nonlinear Model Simulations of a Helicopter in Hover
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MEL zeolite nanosheet membranes for water purification: insights from molecular dynamics simulations
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Numerical simulations of sand behavior using DEM with 2 different descriptions of grain roughness
PublikacjaW rozdziale przedstawiono wyniki dyskretnych symulacji jednorodnego trójosiowego ściskania piasku przy zastosowaniu metody elementów dyskretnych. Obliczenia wykonano stosując 2 różne opisy szorstkości ziaren: kule z uwzględnieniem momentów kontaktu oraz grona kul. Obliczono energię sprężystą i dysypację plastyczną. Wyniki symulacji numerycznych porównano z wynikami doświadczalnymi.
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Anisotropic stochastic dispersion model for large-eddy simulations of particle-laden turbulent flows
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Exact modal absorbing boundary condition for waveguide simulations - discrete Green's function approach
PublikacjaA modal absorbing boundary condition (ABC) based on the discrete Green's function (DGF) is introduced and applied for termination of waveguides simulated by means of the finite-difference time-domain (FDTD) method. The differences between the developed approach and implementations already demonstrated in the literature are presented. By applying DGF, a consistent theoretical approach to modal ABC in the FDTD method is obtained....
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Förster Resonance Energy Transfer and Trapping in Selected Systems: Analysis by Monte-Carlo Simulations
PublikacjaMetoda symulacji Monte Carlo została opisana i zastosowana jako efektywne narzędzie do analizy wyników pomiarów transferu energii w wybranych układach, dla których zastosowanie podejścia analitycznego jest ograniczone lub nawet niemożliwe. Pokazano, że symulacja Monte Carlo pozwala obliczyć tzw. czynnik orientacyjny dla układów częściowo uporządkowanych oraz szereg innych wielkości ważnych do opisu zjawiska transferu energii, które...
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Nanomechanical Properties of Metallic fcc Nanorods from Molecular Simulations with the Sutton-Chen Potential
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A new approach to modeling of selected human respiratory system diseases, directed to computer simulations
PublikacjaThis paper presents a new versatile approach to model severe human respiratory diseases via computer simulation. The proposed approach enables one to predict the time histories of various diseases via information accessible in medical publications. This knowledge is useful to bioengineers involved in the design and construction of medical devices that are employed for monitoring of respiratory condition. The approach provides the...