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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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Hydrological predictors used for vegetation modelling in the lower Biebrza valley 1900-2099
Open Research DataThis data set contains hydrological predictors used for vegetation modelling in the lower Biebrza valley, NE Poland.The predictors were obtained from simulations using integrated hydrological model - HydroGeoSphere, with the Hydraulic Mixing-Cell method.Forcing data for the model were Twentieth Century Reanalysis (20CR) data for the period 1900-2015...
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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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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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How much a geometrical model of a honeycomb seal can be simpli ed in the CFD calculation
PublicationThis paper presents the inuence of geometry simplication on the results obtained in the computational fluid dynamics simulation. The subject of simulation was part of the honeycomb seal located at the inlet to high pressure part of a steam turbine. There were three different geometrical models assumed in the calculations. First one was two-dimensional case and two others were three dimensional, one with the radius of curvature...
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Marek Moszyński dr hab. inż.
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Thyroid Hormones Directly Alter Human Hair Follicle Functions: Anagen Prolongation and Stimulation of Both Hair Matrix Keratinocyte Proliferation and Hair Pigmentation
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International Conference on Modelling and Simulation (European Simulation MultiConference [ESM])
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Performance of data transmission in UMTS with turbo code about decreased number of states
PublicationIn the paper a structure of turbo encoder and decoder about decreased number of states has been described. The simulation results of transmission performance based on turbo coding without the reduction of the number of iterations for the uplink and downlink of WCDMA/FDD interface have been presented. The SOVA algorithm for turbo decoding has been used. The investigations have been carried out for Outdoor to Indoor & Pedestrian...
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Makromodele w analizie problemów quasi-periodycznych i wieloskalowych metodą różnic skończonych
PublicationW niniejszej pracy podjęty został temat efektywnej analizy układów quasiperiodycznych i wieloskalowych. Wykorzystana została w tym celu metoda makromodelingu pozwalająca na zastąpienie newralgicznych obszarów (siatki FDTD/FDFD) układu ich zwięzłym i dokładnym opisem macierzowym (tzw. makromodelami). Opracowano szereg modyfikacji metody makromodelingu mających na celu umożliwienie za jej pomocą efektywnej analizy struktur quasiperiodycznych...
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Scattering by parallel cylindrical posts with conducting strips. W: Pro- gress in electromagnetics research. Ed. J.A. Kong. Cambridge, Massachusett/ USA/: EMW Publ.**2003 s. 305-333, 18 rys. 5 tabl. bibliogr. 14 poz. Electromagnetic Waves. PIER [nr] 43. Rozpraszanie na równoległych metalizowanych obiektach cylindrycznych.
PublicationRozwinięto teorię rozpraszania fali elektromagnetycznej w obszarach otwar-tych i zamkniętych na metalizowanych obiektach cylindrycznych przy użyciuzmodyfikowanej procedury iteracyjnej i metody dopasowania rodzajów. W wynikuanalizy uzyskano pole rozproszone w przypadku struktur otwartych oraz odpo-wiedzi częstotliwościowe współczynników odbicia i transmisji w prostokąt-nych złączach falowodowych. Obrót i przemieszczenie...
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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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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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Identification of defected sensors in an array of amperometric gas sensors
PublicationPurpose Amperometric gas sensors are commonly used in air quality monitoring in long-term measurements. Baseline shift of sensor responses and power failure may occur over time, which is an obstacle for reliable operation of the entire system. The purpose of this study is to check the possibility of using PCA method to detect defected samples, identify faulty sensor and correct the responses of the sensor identified as faulty. Design/methodology/approach In...
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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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Comparison of Single and Multi-Population Evolutionary Algorithm for Path Planning in Navigation Situation
PublicationIn this paper a comparison of single and multi-population evolutionary algorithm is presented. Tested algorithms are used to determine close to optimal ship paths in collision avoidance situation. For this purpose a path planning problem is defined. A specific structure of the individual path and fitness function is presented. Principle of operation of single-population and multi-population evolutionary algorithm is described....
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Accurate electrothermal modelling of high frequency DC-DC converters with discrete IGBTs in PLECS software
PublicationIn the paper, a novel, improved method of the IGBT junction temperature computations in the PLECS simulation software is presented. The developed method aims at accuracy of the junction temperature computations in PLECS by utilising a more sophisticated model of transistor losses, and by taking into account variability of transistor thermal resistance as a function of its temperature. A detailed description of the proposed method,...
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Scattering by parallel cylindrical posts with conducting strips.
PublicationRozwinięto teorię rozpraszania fali elektromagnetycznej w obszarach otwartych i zamkniętych na metalizowanych obiektach cylindrycznych przy użyciu zmodyfikowanej procedury iteracyjnej i metody dopasowania rodzajów. W wyniku analizy uzyskano pole rozproszone w przypadku struktur otwartych oraz odpowiedzi częstotliwościowe współczynników odbicia i transmisji w prostokątnych złączach falowodowych. Obrót i przemieszczenie opisywane...
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Theoretical Principles of Nanotechnology 2022/2023
e-Learning CoursesThis is the webpage for Theoretical Principles of Nanotechnology for (Nanostructures and computer simulations in material science)
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Changes in Life Situations during the SARS-CoV-2 Virus Pandemic and Their Impact on Eating Behaviors for Residents of Europe, Australia as Well as North and South America
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Simulating Power Generation from Photovoltaics in the Polish Power System Based on Ground Meteorological Measurements—First Tests Based on Transmission System Operator Data
PublicationThe Polish power system is undergoing a slow process of transformation from coal to one that is renewables dominated. Although coal will remain a fundamental fuel in the coming years, the recent upsurge in installed capacity of photovoltaic (PV) systems should draw significant attention. Owning to the fact that the Polish Transmission System Operator recently published the PV hourly generation time series in this article, we aim...
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Grouping macromodels by using multilevel model order reduction
Publicationartykuł pprezentuje nowatorską technikę grupowania makromodeli dla metody fdtd. nowa technika bazuje na schemacie wielopoziomowej redukcji rzędu modeli. grupowanie makromodeli pozwala na zwiększenie szybkości symulacji w porównaniu do niezgrupowanych makromodeli, zapewniając przy tym porównywalną dokładność.
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Hostility bias or sadness bias in excluded individuals: Does anodal transcranial direct current stimulation of right VLPFC vs. left DLPFC have a mitigating effect?
PublicationExclusion has multiple adverse effects on individual’s well-being. It induces anger and hostile cognitions leading to aggressive behavior. The purpose of this study was to test whether exclusion would affect recognition of anger on ambivalent faces of the excluders. We hypothesized that exclusion would elicit more anger encoding (hostility bias) than inclusion, but this effect would be mitigated by anodal tDCS of right VLPFC...
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Koncepcja, modelowanie i symulacja układu napędowego prototypu samochodu elektrycznego "ELV001"
PublicationAbstract: In this paper a conception, modelling and simulation tool for drive system of the prototype electric vehicle ''ELV001'' have been presented. The design and building of this vehicle have been carried out in frame of the project: ''Building a market of electric vehicle and charging infrastructure - fundamentals of energy safety''. The simulation tools are of great assistance to engineers and researchers to reduce product-development...
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Cross-Platform Real-Time Nuclear Reactor Basic Principle Simulator
PublicationAbstract—In the paper several approaches to building the real-time basic principle simulators of nuclear reactor processes are presented and their characteristics are analyzed. The characteristics of developed simulators for MATLAB/Simulink including their limitations, and the idea of a cross-platform simulator independent of specific hardware or software are presented. Mathematical models of selected nuclear reactor’s processes...
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Eficient multimode mixed time-frequency domain analysis and optimization of waveguide structures.
PublicationW pracy przedstawiona jest pełnofalowa analiza i optymalizacja struktur falowodowych o zadanej topologii. Nieciągłości falowodowe analizowane są z wykorzystaniem metody FDTD-IBC oraz scharakteryzowane uogólnioną macierzą rozproszenia. Efektywność metody zilustrowana jest na przykładzie filtru falowodowego siódmego rzędu.
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Eficient multimode mixed time-frequency domain analysis and optimization of waveguide structures.
PublicationW pracy przedstawiona jest pełnofalowa analiza i optymalizacja struktur falowodowych o zadanej topologii. Nieciągłości falowodowe analizowane są z wykorzystaniem metody FDTD-IBC oraz scharakteryzowane uogólnioną macierzą rozproszenia. Efektywność metody zilustrowana jest na przykładzie filtru falowodowego siódmego rzędu.
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Simulation Game 2024
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Column base fixity in steel moment frames: Observations from instrumented buildings
PublicationThe rotational fixity of column base connections in Steel Moment Resisting Frames (SMRFs) strongly influences their seismic response. However, approaches for estimating base fixity have been validated only against laboratory test data. These approaches are examined based on strong motion recordings from four instrumented SMRF buildings in California to informbest practices for seismic response simulation. These buildings represent...
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Introduction to Numerical Simulation
e-Learning CoursesCourse description: This interdisciplinary course provides an introduction to computational techniques for the simulation of a broad range of engineering and physical systems. Concepts and methods discussed are widely illustrated by applications drawn from electrical, mechanical, and chemical engineering. Topics include: mathematical formulations of simulation problems; sparse direct and iterative linear system solution techniques,...
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Mono- and bi-metallic plasmonic photocatalysts for degradation of organic compounds under UV and visible light irradiation
PublicationTitania powders were surface modified with gold and/or silver nanoparticles (NPs) by photodeposition method. Gold modified titania exhibited much higher photocatalytic activity during methanol dehydrogenation under UV irradiation than titania modified with monometallic silver and bimetallic Au–Ag NPs. Bimetallic photocatalysts exhibited either enhanced or reduced visible light activity, depending on properties of noble metal NPs,...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 12 mm piston rod diameter and 25 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 100 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 14 mm piston rod diameter and 500 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 25 mm piston rod diameter and 50 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 200 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 500 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 32 mm piston rod diameter and 25 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 500 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 50 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 25 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 25 mm piston rod diameter and 200 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 100 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 200 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 12 mm piston rod diameter and 50 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 14 mm piston rod diameter and 25 mm stroke
Open Research DataThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...