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Simplified simulation technique of rotating, induction heated, calender rolls for study of temperature field control
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Spectroscopic, molecular docking and molecular dynamic simulation studies on the complexes of β-lactoglobulin, safranal and oleuropein
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Computational model for simulation of lifeboat motions during its launching from ship in rough seas
PublicationW artykule przedstawiono model obliczeniowy 3 D, opisujący ruch obiektu w 6 stopniach swobody (6DoF), do symulacji ruchu jedno- lub dwuzawiesiowej łodzi ratunkowej lub ratowniczej podczas opuszczania ze statku na wzburzonej wodzie. Jest to złożony model uwzględniający warunki morskie oraz elastyczność i własności tłumiące elementów i mechanizmów żurawika, liny oraz kadłuba łodzi. Ponadto przedstawiono przykładowe wyniki obliczeń...
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Structure, luminescent properties and FDTD simulation of TeO2-BaO-Bi2O3-Ag:Ln3+ glass-ceramics system
PublicationTeO2-BaO-Bi2O3-Ag glass systems (TBB) co-doped with terbium and europium ions have been successfully synthesized through conventional melt-quenching technique. Heat treatment procedure at 350 °C has been conducted in order to synthesize silver nanoparticles embedded in TBB glass matrix. Structural measurements involved XRD studies that revealed no crystallization of glass structure after heat treatment at elevated temperatures....
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Cost-Efficient EM-Driven Size Reduction of Antenna Structures by Multi-Fidelity Simulation Models
PublicationDesign of antenna systems for emerging application areas such as the Internet of Things (IoT), fifth generation wireless communications (5G), or remote sensing, is a challenging endeavor. In addition to meeting stringent performance specifications concerning electrical and field properties, the structure has to maintain small physical dimensions. The latter normally requires searching for trade-off solutions because miniaturization...
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Simulation of Direct-Sequence Spread Spectrum Data Transmission System for Reliable Underwater Acoustic Communications
PublicationUnderwater acoustic communication (UAC) system designers tend to transmit as much information as possible, per unit of time, at as low as possible error rate. It is a particularly difficult task in a shallow underwater channel in which the signal suffers from strong time dispersion due to multipath propagation and refraction phenomena. The direct-sequence spread spectrum technique (DSSS) applied successfully in the latest standards...
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Two-dimensional diffusion wave model for numerical simulation of inundation - Upper Narew case study
PublicationPrzedstawiono zastosowanie uproszczonego modelu matematycznego przepływu wody ze swobodną powierzchnią, zwanego falą dyfuzyjną, do numerycznej symulacji zalewu powodziowego doliny rzeki. Równania modelu rozwiązano metodą objętości skończonych. Model w dwuwymiarowej wersji wykorzystano do odtworzenia przejścia fali powodziowej przez fragment doliny Górnej Narwi między miejscowościami Suraż i Łapy.
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Construction and Validation of Simulation Models of Samples Made from 316L Steel by Applying Additive Technique
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Long-term Hindcast Simulation of Currents, Sea Level, Water Temperature and Salinity in the Baltic Sea
PublicationThis dataset contains the results of numerical modelling of currents, sea level, water temperature and salinity over a period of 50 years (1958–2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model (PM3D) based on the Princeton Ocean Model (POM). The spatial resolution was 3 nautical miles, i.e. about 5.5 km. Currents, water temperature, and salinity were recorded...
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Molecular dynamics simulation of human neurohypophyseal hormone receptors complexed with oxytocin—modeling of an activated state
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Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling
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Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling
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Experimental study and numerical simulation of low calorific fuel combustion at different oxygen content in the oxydizer
PublicationW pracy przedstawiono wyniki badań eksperymentalnych oraz obliczeń numerycznych procesu spalania paliwa gazowego niskokalorycznego w utleniaczu o podwyższonej temperaturze i zmiennej zawartości tlenu. Badanym paliwem był gaz o składzie zbliżonym do paliwa pochodzącego z gazyfikacji biomasy. Spalanie przeprowadzano dla zmiennej wartości temperatury utleniacza oraz zawartości tlenu. Obliczenia numeryczne wykonano z wykorzystaniem...
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<title>Design and simulation of FPGA implementation of a RF control system for the TESLA test facility</title>
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Strategies for computationally feasible multi-objective simulation-driven design of compact RF/microwave components
PublicationMulti-objective optimization is indispensable when possible trade-offs between various (and usually conflicting) design objectives are to be found. Identification of such design alternatives becomes very challenging when performance evaluation of the structure/system at hand is computationally expensive. Compact RF and microwave components are representative examples of such a situation: due to highly compressed layouts and considerable...
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Expedited Simulation-Driven Multi-Objective Design Optimization of Quasi-Isotropic Dielectric Resonator Antenna
PublicationMajority of practical engineering design problems require simultaneous handling of several criteria. Although many of design tasks can be turned into single-objective problems using sufficient formulations, in some situations, acquiring comprehensive knowledge about possible trade-offs between conflicting objectives may be necessary. This calls for multi-objective optimization that aims at identifying a set of alternative, Pareto-optimal...
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Accelerated simulation-driven design optimisation of compact couplers by means of two-level space mapping
PublicationIn this study, the authors discuss a robust and efficient technique for rapid design of compact couplers. The approach exploits two-level space mapping (SM) correction of an equivalent circuit model of the coupler structure under design. The first SM layer (local correction) is utilised to ensure good matching between the equivalent circuit and the electromagnetic model at the component level. Subsequent global correction allows...
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Design and simulation of a new prototype of piezoelectric cantilever sensor/actuator for analysis of the soft tissues properties
PublicationThis paper is devoted to a new prototype of piezoelectric cantilever transducer dedicated for the characterization of the mechanical properties of soft tissues. General description of the actuator’s structure is presented including the basic principles of the measurement. The chosen geometry of the prototype is discussed and compared with the existing one. Constitutive equations are presented for the active and passive layer of...
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Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublicationThis study addresses the problem of explicit size reduction of multi-band antennas by means of simulation-driven optimisation. The principal difficulty of electromagnetic (EM)-based miniaturisation of multi-band antennas is that several resonances have to be controlled independently (both in terms of their frequency allocation and depth) while attempting to reduce physical dimensions of the structure at hand. The design method...
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On low-fidelity models for variable-fidelity simulation-driven design optimization of compact wideband antennas
PublicationThe paper addresses simulation-driven design optimization of compact antennas involving variable-fidelity electromagnetic (EM) simulation models. Comprehensive investigations are carried out concerning selection of the coarse model discretization density. The effects of the low-fidelity model setup on the reliability and computational complexity of the optimization process are determined using a benchmark set of three ultra-wideband...
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Numerical simulation of the influence of the selected factors on the performance of a concrete road barrier H2/W5/B
PublicationThis paper discuss the influence of selected factors on the performance of a concrete road barrier H2/W5/B. Modelling techniques of a concrete road safety system were briefly discussed. Comparison to the full scale crash test results has been shown. The concrete road safety barrier has been investigated for evaluation of the overall damage after collision under various initial conditions. The failure assessment criterion has been...
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Modeling and Simulation for Exploring Power/Time Trade-off of Parallel Deep Neural Network Training
PublicationIn the paper we tackle bi-objective execution time and power consumption optimization problem concerning execution of parallel applications. We propose using a discrete-event simulation environment for exploring this power/time trade-off in the form of a Pareto front. The solution is verified by a case study based on a real deep neural network training application for automatic speech recognition. A simulation lasting over 2 hours...
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Impact of Low Switching-to-Fundamental Frequency Ratio on Predictive Current Control of PMSM: A simulation study
PublicationPredictive current control algorithms for permanent magnet synchronous (PMSM) drives rely on an assumption that within short intervals motor currents can be approximated with linear functions. This approximation may result either from discretizing the motor model or from simplifications applied to the continuous-time model. As the linear current approximation has been recognized as inaccurate in case when the drive operates with...
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Computational simulation of motion of a rescue module during its launching from ship at rough sea
PublicationThis paper is a continuation of the work titled : “A comp utational model for simulation of motion of rescue module during its launching from stern ramp of a ship at rough sea”. It presents results of computer simulations of motion of a rescue module with embarked persons during its launching on rollers along stern ramp of a ship at rough sea. The simulations were conducted for a selected ship fitted with a launching ramp , for...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Modeling and simulation of a demonstration robot fed by a modular hybrid source with the dc brushless motor drive.
PublicationPrzedstawiono model demonstracyjnego robota mobilnego wykonany w środowisku Matlab-Simulink. Robot napędzany jest przez dwa silniki bezszczotkowe prądu stałego. Hybrydowe źródło energii składa się z wodorowego ogniwa paliwowego PEMFC oraz banku superkondensatorów. Wyniki symulacji przedstawiają zapotrzebowanie na moc podczas znormalizowanego cyklu jazdy robota oraz zachowanie układu w zależności od struktury hybrydowego źródła...
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Personalized prediction of the secondary oocytes number after ovarian stimulation: A machine learning model based on clinical and genetic data
PublicationControlled ovarian stimulation is tailored to the patient based on clinical parameters but estimating the number of retrieved metaphase II (MII) oocytes is a challenge. Here, we have developed a model that takes advantage of the patient’s genetic and clinical characteristics simultaneously for predicting the stimulation outcome. Sequence variants in reproduction-related genes identified by next-generation sequencing were matched...
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Karol Niklas dr hab. inż.
PeopleKarol NIKLAS is a university professor at Gdansk University of Technology (Faculty of Mechanical Engineering and Ship Technology, Institute of Naval Architecture). He defended his master's thesis on Naval Architecture, specialty Design of vessels and yachts in 2007. In 2008, he completed postgraduate studies in the specialty 'Novel Simulation Methods in Engineering' at the Faculty of Applied Physics and Mathematics. In 2014 awarded...
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Modelling and Simulation in Engineering
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MATHEMATICS AND COMPUTERS IN SIMULATION
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Human Female Hair Follicles Are a Direct, Nonclassical Target for Thyroid-Stimulating Hormone
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Numerical simulations of transverse pounding-involved response of buildings due to earthquake excitation.
PublicationCelem 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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Comparative molecular dynamics simulations of amphotericin B-cholesterol/ergosterol membrane channels
PublicationBadania 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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Fast Multi-Objective Antenna Design Through Variable-Fidelity EM Simulations
PublicationA technique for fast multi-objective antenna optimization is introduced. A kriging interpolation surrogate constructed from sampled coarse-mesh EM simulations is utilized by multi-objective evolutionary algorithm (MOEA) to obtain the initial Pareto front approximation. The surrogate is defined in a subset of the original design space, determined by means of independently optimized individual objectives. Response correction techniques...
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Numerical Simulations of Seepage in Dikes Using unsaturated and Two-Phase Flow Models
PublicationModeling 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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3D DEM SIMULATIONS OF BASIC GEOTECHNICAL TESTS WITH EARLY DETECTION OF SHEAR LOCALIZATION.
PublicationW 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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Non-uniqueness of fracture parameter choice in simulations of concrete cracking at mesoscale level
PublicationIn the paper a non-uniqueness of fracture parameter choice in simulations of cracking process in plain concrete specimens at mesoscale level under monotonic static loading is analysed. The Finite Element Method is used, where cracks are defined in a discrete way using interface cohesive elements with nonlinear material law including softening. The concrete mesostructure (such as: cement matrix, air voids, aggregates, and Interfacial...
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FDTD Method for Electromagnetic Simulations in Media Described by Time-Fractional Constitutive Relations
PublicationIn this paper, the finite-difference time-domain (FDTD) method is derived for electromagnetic simulations in media described by the time-fractional (TF) constitutive relations. TF Maxwell’s equations are derived based on these constitutive relations and the Grünwald–Letnikov definition of a fractional derivative. Then the FDTD algorithm, which includes memory effects and energy dissipation of the considered media, is introduced....
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Simulations of the Derecho Event in Poland of 11th August 2017 Using WRF Model
PublicationThis 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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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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Constitutive Modelling of Knitted Abdominal Implants in Numerical Simulations of Repaired Hernia Mechanics
PublicationThe 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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Convergence of Monte Carlo algorithm for solving integral equations in light scattering simulations
PublicationThe 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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Antenna Modeling Using Variable-Fidelity EM Simulations and Constrained Co-Kriging
PublicationUtilization of fast surrogate models has become a viable alternative to direct handling of fullwave electromagnetic (EM) simulations in EM-driven design. Their purpose is to alleviate the difficulties related to high computational cost of multiple simulations required by the common numerical procedures such as parametric optimization or uncertainty quantification. Yet, conventional data-driven (or approximation) modeling techniques...
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublicationThe 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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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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Nanomechanical Stability of Aβ Tetramers and Fibril-like Structures: Molecular Dynamics Simulations
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