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Search results for: molecular dynamic simulation
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Problems of Active Dynamic Thermography Measurement Standardization in Medicine
PublicationReliability of thermographic diagnostics in medicine is an important practical problem. In the field of static thermography, a great deal of effort has been made to define the conditions for thermographic measurements, which is now the golden standard for such research. In recent years, there are more and more reports on dynamic tests with external stimulation, such as Active Dynamic Thermography, Thermographic Signal Reconstruction...
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Agent-based social network as a simulation of a market behaviour
PublicationRecent years and the outbreak of world's economic crisis in 2008 proved the crucial importance of reliable analysis of market dynamics. However, werarely apply models of proper detail level (the global prosperity forecast of 2007 can be seen as a grim proof). The behaviour of individuals and companies is far from being ideal and rational. Many claims that the economic paradigm of rational expectations (coming from J. Muth and R....
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Simulation investigation of perovskite-based solar cells
PublicationThree models of thin-layer lead-halide perovskite solar cells with different electron-transport layers (TiO2,SnO2,ZnO) were investigatedby the simulation method. The perovskite layer thickness was optimized for all the systems. The analysis of the standard photovoltaic cell performanceparameters at various operating temperatures was performed. The best performance was achieved for the system with theSnO2conductive layer.
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Simulation of Parallel Applications on Large-scale Distributed Systems
PublicationThis chapter has a form of a review article in the field of simulating High-Performance Computing systems. We justify the need for a new versatile simulator considering heterogeneity, energy efficiency and reliability of HPC systems. We sketch the problems that need to be solved by such simulator and rationalize using discrete-event simulation for this purpose. Based on a review of existing discrete-event HPC simulation solutions...
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Dynamic load tests of piles in non-cohesive soils.
PublicationThe results of investigations of various types of piles, the analysis of dynamic tests carried out recently in Poland and the correlations between the results of dynamic and static tests of piles are presented. Przedstawiono wyniki badań nośności różnych rodzajów pali, analizę badań dynamicznych wykonanych w Polsce w ostatnich latach oraz korelacje pomiędzy wynikami badań statycznych i dynamicznych.
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Anisotropic mechanical behavior and auxeticity of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe investigate the mechanical properties of penta-graphene (PG), a recently proposed two-dimensional carbon allotrope using atomistic simulation techniques combined with the empirical description of interatomic interactions. We report on the dependence of its three in-plane mechanical moduli (i.e. Young's modulus, Poisson's ratio and shear modulus) on the deformation direction, strain and temperature. We show that PG displays a...
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Electromagnetic Simulation with 3D FEM for Design Automation in 5G Era
PublicationElectromagnetic simulation and electronic design automation (EDA) play an important role in the design of 5G antennas and radio chips. The simulation challenges include electromagnetic effects and long simulation time and this paper focuses on simulation software based on finite-element method (FEM). The state-of-the-art EDA software using novel computational techniques based on FEM can not only accelerate numerical analysis, but...
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The modyfication of the dynamic characteristics of vibratory conveyor
PublicationThe vibratory conveyors are used in the industry for continuous transportation of loose substances on distance up to 20meters. These conveyors are often suspended on expensive and massive frames, which are softly vibroisolated from the ground. As a result, they transfer significant dynamic forces on the ground. In case of 5 - 20 meter-long devices, the biggest construction problems are proper vibrations of the panel caused by bilateral...
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Dynamic variables limitation for backstepping control of induction machine and voltage source converter
PublicationDynamic variables limitation for backstepping control of induction machine and voltage source converter The paper presents the method of control of an induction squirrel-cage machine supplied by a voltage source converter. The presented idea is based on an innovative method of the voltage source converter control, consisting in direct joining of the motor control system with the voltage source rectifier control system. The combined...
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Evolutionary Algorithm for Selecting Dynamic Signatures Partitioning Approach
PublicationIn the verification of identity, the aim is to increase effectiveness and reduce involvement of verified users. A good compromise between these issues is ensured by dynamic signature verification. The dynamic signature is represented by signals describing the position of the stylus in time. They can be used to determine the velocity or acceleration signal. Values of these signals can be analyzed, interpreted, selected, and compared....
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Sylwester Kaczmarek dr hab. inż.
PeopleSylwester Kaczmarek received his M.Sc in electronics engineering, Ph.D. and D.Sc. in switching and teletraffic science from the Gdansk University of Technology, Gdansk, Poland, in 1972, 1981 and 1994, respectively. His research interests include: IP QoS and GMPLS and SDN networks, switching, QoS routing, teletraffic, multimedia services and quality of services. Currently, his research is focused on developing and applicability...
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Multi-agent large-scale parallel crowd simulation
PublicationThis paper presents design, implementation and performance results of a new modular, parallel, agent-based and large scale crowd simulation environment. A parallel application, implemented with C and MPI, was implemented and run in this parallel environment for simulation and visualization of an evacuation scenario at Gdansk University of Technology, Poland and further in the area of districts of Gdansk. The application uses a...
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Mechanical simulation of artificial gravity in torus-shaped and cylindrical spacecraft
PublicationLarge deformations and stress analyses in two types of space structures that are intended for people to live in space have been studied in this research. The structure under analysis is assumed to rotate around the central axis to create artificial gravitational acceleration equal to the gravity on the Earth's surface. The analysis is fully dynamic, which is formulated based on the energy method by using the first-order shear deformation...
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Evaluating experimental molecular physics studies of radiation damage in DNA*
PublicationThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
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Experimentation, material modelling and simulation of bonded joints with a flexible adhesive
PublicationThe paper deals with material parameters identification of a flexible adhesive and the numerical simulation of its behaviour in a single lap bonded joint. The material modelling was based on the simple shear and tensile-shear laboratory tests of the bonded joints made of thin aluminium and polyurethane plates with the flexible adhesive Terostat MS 9360 manufactured by Henkel AG & Co. The adhesive was considered as a hyperelastic...
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Molecular properties with dual basis set methods
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Model-based testing for execution algorithms in the simulation of cyber-physical systems
PublicationThe understanding of simulation semantics of a hybrid system is a challenge for computational engineers as it requires expertise in computer science, engineering, numerical methods, and mathematics at once. The testing methods for the execution of a simulation are being researched but not yet applied on the industrial level. Consequently, the semantics of the simulation becomes a critical artifact in the system development process....
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Dynamic Tests and Technical Monitoring of a Novel Sandwich Footbridge
PublicationA novel sandwich composite footbridge is described in this paper, for the first time after it has been put into operation over the Radunia River in the Pruszcz Gdański municipality. This paper presents results of dynamic tests and describes technical monitoring of the footbridge. The dynamic tests were conducted to estimate pedestrian comfort and were compared with the ones from numerical simulations made in the environment of...
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Fractional Order Dynamic Positioning Controller
PublicationImproving the performance of Dynamic Positioning System in such applications as station keeping, position mooring and slow speed references tracking requires improving the position and heading control precision. These goals can be achieved through the improvement of the ship control system. Fractional-order calculus is a very useful tool which extends classical, integer-order calculus and is used in contemporary modeling and control...
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Management Simulation Game - LATO 2022/2023 - DZIENNE
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Management Simulation Game wykład 2021/2022 STAC
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Management Simulation Game LATO 2022/2023 ZAOCZNE
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Management Simulation Game wykład 2021/2022 ns
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Electrochemical simulation of enzymatic transformations studied for the selected antitumor acridine derivatives
PublicationThe elucidation of the metabolic pathways and the biotransformation mechanisms of potential drugs is a crucial point in drug development. It allows to know the activation routes of the new biologically active compounds, especially in respect to their possible toxicity. Generally, in vivo or in vitro experiments with liver microsomes or hepatocytes are performed. However, these testing schemes are tedious, time consuming and of...
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Active Dynamic Thermography in Medical Diagnostics
PublicationThis is an overview of active thermal imaging methods in medical diagnostics using external thermal stimulation. In this chapter, several clinical cases diagnosed using the active dynamic thermography method, ADT, are presented. Features of this technology are discussed and main advantages underlined. Applications in skin burn diagnostics and quantitative evaluation leading to modern classification of burned patients for further...
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublicationThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...
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Molecular Dynamics simulations of thermal conductivity of penta-graphene
PublicationThe thermal conductivity of penta-graphene (PG), a new two dimensional carbon allotrope and its dependence on temperature, strain, and direction are studied in this paper. The thermal conductivity of PG is investigated using a non-equilibrium molecular dynamics simulation (NEMD) with the Two Region Method by applying the optimized Tersoff interatomic potential. Our study shows that the thermal conductivity of PG (determined for...
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TELLUS SERIES A-DYNAMIC METEOROLOGY AND OCEANOGRAPHY
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Consideration of dynamic loads in the determination of axle load spectra for pavement design
PublicationAxle load spectra constitute a crucial part of the data for pavement design and pavement distress analysis. Typically, axle load spectra represent static load from vehicles and do not include dynamic loads generated by vehicles in motion. While dynamic loads can significantly contribute to faster pavement distress, this fact is mostly omitted in pavement design methods. The paper presents a methodology for consideration of dynamic...
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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublicationTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
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A Surveillance Of Dynamic Processes in Selected Mechatronic Systems
PublicationThe paper concerns development of original method of optimal control at energy performance index and its application to dynamic processes surveillance of some mechatronic systems. The latter concerns chatter vibration surveillance during highspeed slender milling of rigid details, as well as motion control of two-wheeled mobile platform. Results of on-line computer simulations and real performance on the target objects reflect...
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Modelling and Simulation of Control Systems Applied in Energy Technologies, W,L, Energetyka, sem.05, zimowy 2024/2025 (PG_00042105)
e-Learning CoursesThis course is titled Modelling and Simulation of Control Systems Applied in Energy Technologies intended for seventh-semester students in the BSc program in Power Engineering, specializing in Energy Technologies.
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Static and dynamic concrete calculations: Breakable aggregates in DEM model
PublicationThe paper deals with the calculations of a 3-point bending beam under static and dynamic loads. The real microstructure was obtained from laboratory tests using micro-tomography images. The quasi-static results were compared directly with experimental data at both macro and micro levels. Subsequently, higher strain rates were applied to investigate dynamic effects. The study focused on the influence of dynamic loading on the macroscopic...
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Simulation model of IMS/NGN call processing performance
PublicationIn current telecommunications it is assumed that demands of the information society for quickly delivered services will be satisfied by the Next Generation Network (NGN) architecture, which includes IP Multimedia Subsystem (IMS) elements. To guarantee Quality of Service (QoS), proper design and dimensioning of NGN is absolutely necessary, for which appropriate models have to be proposed. As the NGN architecture is very complicated,...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublicationAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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Simulation-Driven Design of Microstrip Antenna Subarrays
PublicationA methodology for computationally efficient simulation-driven design of microstrip antenna subarrays is presented. Our approach takes into account the effect of the feed (e.g., a corporate network) on the subarray side lobe level and allows adjusting both radiation and reflection responses of the structure under design within a single automated process. This process is realized as surrogate-based optimization that produces designs...
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Modelling of high frequency dynamic responses of engineering structures
PublicationModelling of high frequency dynamic responses of engineering structures, especially those related to wave propagation, is a real numerical challenge. Nowadays most of numerical models, used for that purpose, are based on the application of various finite element techniques. However, finite element discrete models may also be considered as possessing certain periodic structures, which may manifest themselves in particular scenarios....
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Simulation model for evaluation of packet sequence changed order of stream in DiffServ network
PublicationCurrent packet networks use a large variety of mechanisms which should support QoS (Quality of Service). One of those mechanisms is routing (calculating connection paths for incoming service requests). The most effective mechanism in QoS context is dynamic routing, which is based on the current network state described by the offered traffic matrix and link states. After switching between calculated available paths, connection...
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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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Control strategies and comparison of the Dynamic Voltage Restorer
PublicationThis paper focuses on a selection problems of mitigation of the voltage disturbance by of the Dynamic Voltage Restorers (DVR’s). In short form presented and discussed are the basis of different control strategies of the DVR. The main emphasis is placed on application of modern power electronic devices. Authors of this paper in particular occupy oneself with analysis of the power rating of the typically DVR topologies. These problems...
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Modeling and analysis of the effectiveness of the guard systemswith dynamic graphs
PublicationIn the following paper it will be presented a new model for analysis (in polynomial time) of the effectiveness of the guard systems. Therewill be presented its practical applications in problems such as searching for the weakest points of the system, planning guards' paths or cameras deployment, switching image from multiple cameras on several monitors, or interception of the intruder. This model is based on describing the guarded...
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Dynamic analysis of the railway bridge span under moving loads
PublicationThe first part of this paper provides a review of the state of knowledge of the dynamic behaviour of railway bridges under moving loads. Particular attention is paid to developments in modelling railway bridge loading and dynamic vehicle-span (structure) interaction. The most important aspects determining the advancements in this area of knowledge are identified. The contemporary techniques for defining bridge span finite element...
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Modeling and simulation of tool cycle in manufacturing cell
PublicationThe paper addresses issues concerning modeling and analysis of tool flow within a three-machine manufacturing cell used for small batch manufacturing of a definite spectrum of prismatic parts. The approach utilizes a method for job and tool allocation to work centers with limited number of machines and capacity of tool resources, based on the analysis of formalized relations: job - tool sets required. Selected tool flow control...
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Modelling, Simulation and Optimization of the Wavemaker in a Towing Tank
PublicationThe paper analyses the problem of experimental identification (frequency response), modelling and optimization of the towing tank wavemaker in the Scilab/Xcos environment. The experimental identification of the objects (the towing tank wavemaker placed in the hydrodynamic laboratory of the CTO S.A. Ship Design and Research Centre (CTO)) and the implementation of the models in the simulation environment, enable to perform: 1. tuning...
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DYNAMIC ANALYSIS OF THE RAILWAY BRIDGES IN POLAND WITH REGARDS TO HIGH-SPEED TRAINS PASSAGE ADJUSTMENT
PublicationThe dynamic analysis of the railway bridge in Tczew was carried out in the article as an example of such bridges adaptation suitability to handle high-speed trains. Calculations of railway bridges are greatly complicated and labor-consuming. The bridge model and a rolling stock passage simulation were developed in the SOFISTIK software. Three types of elements were used for the correct mapping of the structure in the calculation...
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Adaptive dynamic control allocation for over-actuated dynamic positioning system based on backstepping method in case of thruster faults
PublicationThe objective of the research considered in this paper is dynamic positioning of a nonlinear over-actuated marine vessel in the presence of limited information about thruster forces. First, the adaptive backstepping method is used to estimate the input matrix which will compensate partial loss of actuator effectiveness in the presence of actuator dynamics. Then, the adaptive commanded virtual forces and moment are allocated into...
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Transmission Protocol Simulation Framework For The Resource-Constrained Wireless Sensor Network
PublicationIn this paper a prototype framework for simulation of wireless sensor network and its protocols are presented. The framework simulates operation of a sensor network with data transmission, which enables simultaneous development of the sensor network software, its hardware and the protocols for wireless data transmission. An advantage of using the framework is converging simulation with the real software. Instead of creating...
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YADE - An extensible framework for the interactive simulation of multiscale, multiphase, and multiphysics particulate systems
PublicationThis contribution presents the key elements of YADE, an extensible open-source framework for dynamic simulations. During the past 19 years, YADE has evolved from "Yet Another Dynamic Engine"' to a versatile multiscale and multiphysics solver, counting a large, active, and growing community of users and developers. The computationally intense parts of the source code are written in C++, using flexible object models that allow for...
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Experimental study on static and dynamic properties of polymer mass
PublicationA new method of repairing damaged structures by filling the cracks with a specially prepared polymer mass has been recently proposed. This new and innovative technique, known as the Flexible Joint Method (FJM), is mainly dedicated to masonries and historical objects, where minimum intervention is permitted. The flexible joint bonds the disrupted elements and ensures further safe exploitation of a damaged structure. The aim of the...
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Dynamic Positioning Capability Assessment for Ship Design Purposes
PublicationThe article focuses on solving a problem of optimal thrust distribution over the actuators in a ship Dynamic Positioning, according to DNV-ST-0111 standard, Level 1. The classic Quadratic Programming approach is combined with the numerical solusion used to handle the propeller with the rudder constraints in the optimization task and the influence between thrusters and skeg. It is presented as an efficient method of minimizing the...