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MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
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The lognormal model of the multipath fading channel
Open Research DataThe dataset contains the results of simulations that are part of the research on modelling the multipath fading in the communication channel. The lognormal fading envelope is generated using the Monte-Carlo simulation (MCS) in the LabVIEW programming environment.
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Au nanostructures coated with a ultrathin film of Al2O3 - measurements and FDTD simulations
Open Research DataGold plasmonic platforms have been coated with an ultra-thin films of aluminium oxide. Optical measurements, showing the influence of the thickness of Al2O3 on plasmon resonance position. The observed red-shift of the resonance location with the increase of the thickness of the Al2O3 film, can be explained by the change in the dielectric function of...
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Database of the illustrative simulations of the nonstandard approximation of the generalized Burgers–Huxley equation
Open Research DataThe presented dataset is a result of numerical analysis of a generalized Burgers–Huxley partial differential equation. An analyzed diffusive partial differential equation consist with nonlinear advection and reaction. The reaction term is a generalized form of the reaction law of the Hodgkin–Huxley model, while the advection is a generalized form of...
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Computer simulation of vibration surveillance of discretely idealised mechanical systems. Part I: Optimal control at the energy performance index for open non-stationary systems
PublicationPraca dotyczy sposobów nadzorowania drgań mechanicznych z wykorzystanie elementów teorii sterowania, optymalizacji dynamicznej, nowoczesnych metod symulacji komputerowej oraz technik pomiarowych. Do modelowania niestacjonarnego układu sterowanego zastosowano mieszaną metodą sztywnych i odkształcalnych elementów skończonych. Opracowano metodę nadzorowania drgań w dziedzinie czasu, z wykorzystaniem sterowania optymalnego przy energetycznym...
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Comment on “Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond” [J. Chem. Phys. 115, 1414 (2001)]
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Molecular Simulation Study of the Potentials of Mean Force for the Interactions between Models of Like-Charged and between Charged and Nonpolar Amino Acid Side Chains in Water
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Reduced-cost optimization-based miniaturization of microwave passives by multi-resolution EM simulations for internet of things and space-limited applications
PublicationStringent performance specifications along with constraints imposed on physical dimensions, make the design of contemporary microwave components a truly onerous task. In recent years, the latter demand has been growing in importance, with the innovative application areas such as Internet of Things coming into play. The need to employ full-wave electromagnetic (EM) simu-lations for response evaluation, reliable yet CPU heavy, only...
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Mitigation effect of face shield to reduce SARS-CoV-2 airborne transmission risk: Preliminary simulations based on computed tomography
PublicationWe aimed to develop a model to quantitatively assess the potential effectiveness of face shield (visor) in reducing airborne transmission risk of the novel coronavirus SARS-CoV-2 during the current COVID-19 pandemic using the computational fluid dynamics (CFD) method. The studies with and without face shield in both an infected and healthy person have been considered in indoor environment simulation. In addition to the influence...
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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins
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Mitigation effect of face shield to reduce SARS-CoV-2 airborne transmission risk: Preliminary simulations based on computed tomography
PublicationWe aimed to develop a model to quantitatively assess the potential effectiveness of face shield (visor) in reducing airborne transmission risk of the novel coronavirus SARS-CoV-2 during the current COVID-19 pandemic using the computational fluid dynamics (CFD) method. The studies with and without face shield in both an infected and healthy person have been considered in indoor environment simulation. In addition to the influence...
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Hybrid Monte-Carlo simulations of fluorescence anisotropy decay in disordered two-component systems in the presence of forward and back energy transfer
PublicationW pracy przedstawiono hybrydowy algorytm symulacji Monte Carlo zaniku anizotropii emisji fluorescencji w układach dwuskładnikowych z uwzględnieniem prostego i powrotnego transferu energii. Poprawność nowego algorytmu symulacji Monte Carlo zweryfikowano poprzez porównanie z wynikami obliczeń teoretycznych otrzymanymi w ramach modelu SCDM i z wynikami standardowej symulacji Monte Carlo (algorytm 'step by step').
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Hybrid Monte-Carlo simulations of fluorescence anisotropy decayin three-component donor-mediator-acceptor systems in the presenceof energy transfer
PublicationW pracy przedstawiono nowy hybrydowy algorytm symulacji Monte-Carlo układu trójskładnikowego donor-mediator-akceptor. Działanie algorytmu zilustrowano na przykładzie zaników anizotropii emisji fluorescencji powyższego układu. Porównano wyniki hybrydowej symulacji Monte-Carlo z wynikami klasycznej metody ''step by step''. Stwierdzono bardzo dobrą zgodność wyników obu symulacji, przy czym algorytm hybrydowy wymaga znacznie krótszego...
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Selection of material for X-ray tomography analysis and DEM simulations: comparison between granular materials of biological and non-biological origins
PublicationPhysical properties and X-ray tomography images of five different granular materials: glass bead, glass grit, short grain white rice, sorghum and clay granules (Seramis) are investigated to select the most promising materials for numerical simulations and time-lapse X-ray tomography imaging. The examined materials represent granular materials of non-biological origin (glass bead, glass grit and Seramis) and granular plant materials...
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Fast tolerance-aware design optimization of miniaturized microstrip couplers using variable-fidelity EM simulations and re-sponse features
PublicationManufacturing tolerances and other types of uncertainties may considerably affect operation and performance of microwave components and systems. Quantification of these effects is therefore an important part of the design process. It is even more important to obtain designs whose sensitivity to parameter deviations is reduced as much as possible. All of these require statistical analysis carried out at the level of electromagnetic...
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Mathematical Models in Design Process of Ship Bow Thrusters
PublicationThe paper describes an application of simulation models for computer-aided design of ship bow thrusters. Generation of simulation models of ship bow thruster requires development and verifying of mathematical models of system component elements. Using the results of simulation the expert system is able to determine, that the rules of classification societies are met. Design procedures and mathematical models are part of an expert...
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Mathematical Models in Design Process of Ship Bow Thrusters
PublicationThe presentation is about an application of simulation models for computer-aided design of ship bow thrusters. Generation of simulation models of ship bow thruster requires development and verifying of mathematical models of system component elements. Using the results of simulation the expert system is able to determine, that the rules of classification societies are met. Design procedures and mathematical models are part of an...
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The Weibull model of the multipath fading channel
Open Research DataThe dataset contains the results of simulations that are part of the research on modelling the multipath fading in the communication channel. The Weibull fading envelope is generated using the Monte-Carlo simulation (MCS) in the LabVIEW programming environment.
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The Suzuki model of the multipath fading channel
Open Research DataThe dataset contains the results of simulations that are part of the research on modelling the multipath fading in the communication channel. The Suzuki fading envelope is generated using the Monte-Carlo simulation (MCS) in the LabVIEW programming environment.
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Visual and auditory attention stimulator for assisting pedagogical therapy . Stymulator uwagi wzrokowej i słuchowej do wspomagania terapii pedagogicznej
PublicationVisual and auditory attention stimulator provides a system developed in order to improve reading skills using simultaneous presentation of text in its visual form and in transformed auditory form accompanied by related movie material. The described research employed 40 children at the age of 8 13 years having difficulties in learning of reading, who were diagnosed as having developmental dyslexia. It was shown that application...
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Rafał Lech dr hab. inż.
PeopleIEEE Senior Member #92122578 Rafal Lech was born in Elblag, Poland, in 1977. He received the M.Sc.E.E. and Ph.D. degrees (with honors) from the Gdansk University of Technology, Gdansk, Poland, in 2001 and 2007, respectively. He is currently with the Faculty of Electronics, Department of Microwave and Antenna Engineering, Telecommunications and Informatics, Gdansk University of Technology. His main research interests are electromagnetic-wave...
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Meat Proteins as Dipeptidyl Peptidase IV Inhibitors and Glucose Uptake Stimulating Peptides for the Management of a Type 2 Diabetes Mellitus In Silico Study
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Trees as a Shading System for Streets on the East–West Axis: Computer Simulations for the Selected Geometrical Proportions of Building Developments in Humid Continental Climate
PublicationThe study is aimed at investigating the possibilities for solar protection provided to the street canyon located on the E–W axis and with the following profiles: shallow (height/width (H/W) = 0.2, 0.6, and 1) and deep (H/W = 2) by two rows of trees located at a distance of 3 m away from southern and northern façades. The research was based on numerical simulation analyses conducted in the Rhinoceros® program, with the application...
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Hydraulic fracturing process in rocks – small-scale simulations with a novel fully coupled DEM/CFD-based thermo-hydro-mechanical approach
PublicationW artykule przedstawiono dwuwymiarową (2D) symulację numeryczną szczelinowania hydraulicznego w małej skali przeprowadzoną w próbkach skał posiadających pojedynczą szczelinę wtryskową. Wykorzystano unikalny model termo-hydro-mechaniczny (THM) w skali porów oparty na DEM/CFD do symulacji dwufazowego laminarnego przepływu płynu (wody i gazu) z przenoszeniem ciepła w nienasyconych materiałach porowatych o niskiej porowatości. Korzystając...
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A Circuital Model of Electric Arc in a Circuit Breaker
PublicationThe paper presents a circuital model of arc in a circuit breaker. The model is intended to be used in simulations of the electric circuits transients. It was implemented in the ATP simulation program. The article presents also a few simulation examples of simple DC and AC circuit containing described arc model.
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An algorithm to generate high dense packing of particles with various shapes
PublicationDiscrete Element Method (DEM) is one of available numerical methods to compute movement of particles in large scale simulations. The method has been frequently applied to simulate the cases of grain or bulk material as the major research issue. The paper describes a new method of generating high dense packing with mixed material of two different shape used in DEM simulation. The initial packing is an important parameter to control,...
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Przemysław Krata dr hab. inż.
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Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane–aqueous system
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Mariusz Kaczmarek dr hab. inż.
PeopleReceived M.Sc., Eng. in Electronics in 1995 from Gdansk University of Technology, Ph.D. in Medical Electronics in 2003 and habilitation in Biocybernetics and Biomedical Engineering in 2017. He was an investigator in about 13 projects receiving a number of awards, including four best papers, practical innovations (7 medals and awards) and also the Andronicos G. Kantsios Award and Siemens Award. Main research activities: the issues...
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New methods for assessment and stimulation of non-communicative patients employing advanced multimodal HCI . Nowe metody oceny i stymulacji pacjentów niekomunikatywnych z wykorzystaniem zaawansowanych interfejsów multimodalnych człowiek-komputer
PublicationIn most cases of patients with locomotor system damage it is possible to find a solution to the medical problems originating from the injury. However, it is much more difficult to prevent cognitive and emotional impairments. Therefore, we believe that the technological support of therapists working with such patients on an everyday basis may be essential. We have acquired experience in designing and providing diagnostic and therapeutic...
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Industrial Simulation Conference
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Winter Simulation Conference
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European Simulation Symposium
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Distributed Simulation Symposium
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Annual Simulation Symposium
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Marek Moszyński dr hab. inż.
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Full scale CFD seakeeping simulations for case study ship redesigned from V-shaped bulbous bow to X-bow hull form
PublicationIncreasing propulsion efficiency, safety, comfort and operability are of the great importance, especially for small ships operating on windy sites like the North Sea and the Baltic Sea. Seakeeping performance of ships and offshore structures can be analysed by different methods and the one that is becoming increasingly important is CFD RANS. The recent development of simulation techniques together with rising HPC accessibility...
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Discussion of “Axisymmetric Simulations of Cone Penetration in Saturated Clay” by Diane M. Moug, Ross W. Boulanger, Jason T. DeJong, and Robert A. Jaeger
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International Conference on Modelling and Simulation (European Simulation MultiConference [ESM])
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Ocean mixed layer dynamics: high-resolution simulations of wind, wave and convective effects
Open Research DataThis dataset contains results of high-resolution numerical simulations of the ocean mixed layer (OML) forced by wind, waves and cooling from the atmosphere, i.e., under strongly turbulent, convective conditions. The goal is to provide detailed, three-dimensional information about OML circulation, turbulent kinetic energy, and temperature and salinity...
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Study of New Oxytocin Antagonist Barusiban (Fe200 440) Affinity Toward Human Oxytocin Receptor Versus Vasopressin V1a and V2 Receptors - Molecular Dynamics Simulation in POPC Bilayer
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Neuronowa symulacja temperatury i ciśnienia pary w upuście parowego bloku energetycznego = Neural simulation of pressure and temperature fluctuations at steam extraction of power units with steam turbine
PublicationW artykule przedstawiono metodę symulacji neuronowej dla zastosowań w diagnostyce on-line bloków energetycznych. Model neuronowy opiera się na statycznych jednokierunkowych sieciach neuronowych (SSN) oraz na danych z parowego bloku energetycznego o mocy 200 MW. SSN obliczają wartości referencyjne parametrów cieplno-przepływowych dla aktualnego obciążenia obiektu. Określono wpływ architektury sieci i danych uczących na jakość symulacji...
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Maximum transportation growth in energy and solute particles in Prandtl martial across a vertical 3D-heated surface: Simulations achieved using by finite element approach
PublicationThe goal of this study is to determine the maximum energy and solute particles' transportation growth in a 3D-heated region of Prandtl martial through a dynamic magnetic field. The effects of this field on the properties of solvent molecules and heat conduction are studied. A correctly stated functional method and a finite element approach are comparable to a certain type of differential equations. In order demonstrate the effects...
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The Stimulating Effect of Rosmarinic Acid and Extracts from Rosemary and Lemon Balm on Collagen Type I Biosynthesis in Osteogenesis Imperfecta Type I Skin Fibroblasts
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Multimodal human-computer interfaces based on advanced video and audio analysis
PublicationMultimodal interfaces development history is reviewed briefly in the introduction. Examples of applications of multimodal interfaces to education software and for the disabled people are presented, including interactive electronic whiteboard based on video image analysis, application for controlling computers with mouth gestures and the audio interface for speech stretching for hearing impaired and stuttering people. The Smart...
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Multimodal human-computer interfaces based on advanced video and audio analysis
PublicationMultimodal interfaces development history is reviewed briefly in the introduction. Some applications of multimodal interfaces to education software for disabled people are presented. One of them, the LipMouse is a novel, vision-based human-computer interface that tracks user’s lip movements and detect lips gestures. A new approach to diagnosing Parkinson’s disease is also shown. The progression of the disease can be measured employing...