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Search results for: SIMULATION STUDY
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Molecular simulation study of cooperativity in hydrophobic association
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Dynamics of Opposing Polymer Brushes: A Computer Simulation Study
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Long-Distance FRET Analysis: A Monte Carlo Simulation Study
PublicationZaproponowano nową metodę na rozszerzenie zakresu stosowalności rezonansowego transferu energii (FRET) przetestowaną przy pomocy metody Monte Carlo. Otrzymane rezultaty dowodzą, że wydajność procesu FRET może być znacząco zwiększona w porównaniu z wydajnością pojedynczego akceptora, gdy dla ustalonej od donora umieścimy układ blisko siebie położonych akceptorów na makromolekule. Z drugiej strony metoda ta umożliwia zwiększenie...
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Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles
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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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Influence of addition of carbon nanotubes on rheological properties of selected liquid lubricants - a computer simulation study
PublicationThis work is motivated by the improvement of anti-friction properties of lubricants by addition of CNTs proved experimentally in literature. In particular, a methodology is developed to compute the shear viscosity of liquid lubricants (Propylene Glycol) based on Molecular Dynamics simulation. Non-Equilibrium molecular dynamics (NEMD) approach is used with a reactive force field ReaxFF implemented in LAMMPS. The simulations are...
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A Comparative Numerical Simulation Study of Turbulent Non-premixed CO/H2/N2 Syngas Jet Flames
PublicationIn the present work, numerical simulations of turbulent non-premixed syngas flame have been performed in Reynolds-Averaged Naver-Stokes turbulence approach using four turbulence-chemistry interaction models. To this aim, we used assumed beta PDF approach, Steady Laminar Flamelet model, Eddy Dissipation Concept and Partially Stirred Reactor model. Numerical results are compared and analysed with respect to two experiments from the...
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Erratum to “Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles” [Biophys. Chem. 105 (2003) 339–359]
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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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Experimental study and numerical simulation of the dynamic penetration into dry clay
PublicationTests of dry clay were carried out in a uniaxial stress state using the experimental setup which implements the split Hopkinson pressure bar method. Based on the results of these experiments, the compressive strength of clay was determined as an important element of S.S. Grigoryan’s model of the soil medium. In addition, the parameters of this model are determined from the results of experiments using the modified Kolsky method...
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Simulation of backup rolls quenching with experimental study of deep cryogenic treatment
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Simulation modelling for managing complex systems: case study for maintenance services.
PublicationModelowanie symulacyjne zyskuje sobie pozycje najważniejszego narzędzia w obszarze zarządzania wiedzą i informacją. W pracy przedstawiono zastosowanie modelowania symulacyjnego w zarządzaniu przepływem informacji w systemach złożonych. Posłużono się przykładem serwisu eksploatacji i przeglądów remontowych dla pięciu geograficznie rozproszonych przedsiębiorstw.
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Study on population dynamics for triple-linked food chain using a simulation-based approach
PublicationThe procedures based on simulation have become a feasible testing method that does not require investing valuable resources to create a concrete prototype, especially with the increasing computational power of computers. Thus, design changes can be adopted and design errors can be fixed before it is too late. Simulation turns to be a cheap, safe and often more acceptable from an ethical perspective. In our work we summarize the...
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Simplified simulation technique of rotating, induction heated, calender rolls for study of temperature field control
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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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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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MARSTRUCT benchmark study on nonlinear FE simulation of an experiment of an indenter impact with a ship side-shell structure
PublicationThis paper presents a benchmark study on collision simulations that was initiated by the MARSTRUCT Virtual Institute. The objective was to compare assumptions, finite element models, modelling techniques and experiences between established researchers within the field. Fifteen research groups world-wide participated in the study. An experiment involving a rigid indenter penetrating a ship-like side structure was used as the case...
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Numerical Simulation of Catastrophic Flood: the Case Study of Hypothetical Failure of the Bielkowo Hydro–Power Plant Reservoir
PublicationThe numerical modeling of flood wave propagation following the hypo-thetical breaks of the embankments of the Bielkowo hydro–power plant storage reservoir (Kolbudy II Reservoir) on the Radunia River in Poland have been presented. The results of computations were used to estimate the parameters of the flood waves, which are indispensable for the flood zone determination and mapping and then for the flood risk analysis. When estimating...
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Experimental study and numerical simulation on porosity dependent direct reducibility of high-grade iron oxide pellets in hydrogen
PublicationThe transition to more environmentally friendly steel production methods has intensified research into hydrogen-based direct reduction (HyDR) of iron oxide pellets. The aim of this study is to systematically investigate the kinetics of the reduction process, the evolution of porosity and the resulting microstructural changes on the reduction behavior of high-quality pellets during HyDR of iron ore at different temperatures. A modified...
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Comparison of Macintosh and Intubrite laryngoscopes for orotracheal intubation by nurses during resuscitation: preliminary data of a randomized crossover simulation-based study
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Derecho Evolving from a Mesocyclone—A Study of 11 August 2017 Severe Weather Outbreak in Poland: Event Analysis and High-Resolution Simulation
PublicationThis study documents atmospheric conditions, development, and evolution of a severe weather outbreak that occurred on 11 August 2017 in Poland. The emphasis is on analyzing system morphology and highlighting the importance of a mesovortex in producing the most significant wind damages. A derecho-producing mesoscale convective system (MCS) had a remarkable intensity and was one of the most impactful convective storms in the history...
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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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Simulation Environment in Python for Ship Encounter Situations
PublicationTo assess the risk of collision in radar navigation distance-based safety measures such as Distance at the Closest Point of Approach and Time to the Closest Point of Approach are most commonly used. Also Bow Crossing Range and Bow Crossing Time measures are good complement to the picture of the meeting situation. When ship safety domain is considered then Degree of Domain Violation and Time to Domain Violation can be applied. This...
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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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Simulation model for evaluation of QOS dynamic routing
PublicationCurrent informational networks use a large variety of technologies to support data exchange. Most of them are focused on IP protocol and include mechanisms which by definition should supply demanded QoS. One of those mechanisms is efficient path calculation - routing. Traffic offered to the network can change very rapidly in short term. Routing should support such traffic changes and all the time calculate valid paths in terms...
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FEM simulation of laminate failure in the three point bending
PublicationThe paper presents a FEM simulation of failure of laminate subjected to the three point bending. The numeri-cal model is based on the equivalent single layer approach with 6-paramater non-linear shell theory kinematics. It is implemented in the non-commercial FEM code. The failure initiation is detected with the use of Tsai-Wu criterion. After the failure onset the progressive failure process is modelled through the appropriate...
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Monitoring of CRT by means of impedance multiple measurements - simulation studies
PublicationCardiac resynchronization therapy (CRT) is a very promising treatment for patients with congestive heart failure. An Impedance Cardiography (ICG) is used for evaluation of heart mechanical activity. A simulation study with the use of a FEM model was performed. The developed realistic model of the thorax, based on CT data obtained from examination of a 68-year-old man, consisted of 212 000 tetrahedral elements. Different configurations...
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SIMULATION OF PROCEED® SURGICAL MESH APPLIED TO VENTRAL HERNIA REPAIR
PublicationIn the present research, Proceed® implant is considered. The system is subjected to short-time dynamic pressure load, similar to post-operative cough naturally occurring in human abdomen. The model refers to a clinical case of 5cm of hernia operated by Proceed implant fixed by 15 joints every 3cm around the orifice. The simulations of the implanted mesh are performed by means of the Finite Element Method. The implant is modelled...
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Computer Simulation in Predicting Biochemical Processes and Energy Balance at WWTPs
PublicationNowadays, the use of mathematical models and computer simulation allow analysis of many different technological solutions as well as testing various scenarios in a short time and at low financial budget in order to simulate the scenario under typical conditions for the real system and help to find the best solution in design or operation process. The aim of the study was to evaluate different concepts of biochemical processes and...
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Using GPUs for Parallel Stencil Computations in Relativistic Hydrodynamic Simulation
PublicationThis paper explores the possibilities of using a GPU for complex 3D finite difference computation. We propose a new approach to this topic using surface memory and compare it with 3D stencil computations carried out via shared memory, which is currently considered to be the best approach. The case study was performed for the extensive computation of collisions between heavy nuclei in terms of relativistic hydrodynamics.
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Finite element simulation of cross shaped window panel supports
PublicationThe aim of the work is to verify suitability of cross-shaped window panel supports for mullion-transom wall systems. The Finite Element Method (FEM) is chosen to determine the behaviour of stainless steel elements under loading. The advanced non-linear numerical simulations are carried out using an implicit FEM software package MSC.Marc. This study is proposed to initiate the comprehensive investigation of mechanical properties...
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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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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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Respiratory system modelling and simulation basing on the forced oscilation technique
PublicationConventional methods of testing lung functioning demand a specific respiratory action of the patient. In contrast, the forced oscillation technique (fot) provides measurements obtained with a minimal cooperation of the subject. The aim of this study is to verify the usefulness of the forced oscillation technique modelling in respiratory system diagnosing. in order to do it two models of fot measurements have been considered: the...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublicationOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Simulation analysis of a production process with selected six sigma ratios
PublicationComputer technologies allow more and more to model as well as to perform simulation experiments of various processes. The simulation analysis provides a better understanding of the interdependencies between various stages of production processes.The results of simulation studies were presented, the aim of them was to show the opportunities of the analysis of the process according to the scenarios and variants developed in connection...
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Simulation-driven design of compact ultra-wideband antenna structures
PublicationPurpose–The purpose of this paper is to investigate strategies and algorithms for expedited designoptimization and explicit size reduction of compact ultra-wideband (UWB) antennas.Design/methodology/approach–Formulation of the compact antenna design problem aiming atexplicit size reduction while maintaining acceptable electrical performance is presented. Algorithmicframeworks are described suitable for handling various design situations...
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Research of Emergency Modes of Wind Power Plants Using Computer Simulation
PublicationThe aim of this study is to investigate changes in the wind power plant energy production parameters under the conditions of sudden wind changes and voltage drop. To achieve these goals, a simulation of operation of wind power plants was performed. Twelve wind turbines with variable rotational speed equipped with a Fuhrländer FL 2500/104 asynchronous double-fed induction generator (DFIG) were used, each with an installed capacity...
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The Simulation of Activated Sludge System for Optimization of Predictive Aeration at Large WWTP
PublicationEffective use of biodegradable substrates as an internal carbon sources (ICS) for denitrification and EBPR and predicting performance of aeration systems during nitrification in activated sludge bioreactors, may be useful in realization the sustainable development by potentially saving energy consumption at WWTPs. A large number of WWTPs use activated sludge systems with an integrated removal of carbon, nitrogen and phosphorus...
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Simulation research on the tool cycle in automated manufacturing system at selected tool duplication levels
PublicationThe paper presents results of the research concerning impact of applied tool exchange rule on the efficiency of an automated manufacturing system. The research consider the tool duplication levels that constrain realisation of a manufacturing process. Presented study was based on the real industrial system data. The operating of the investigated system of manufacture, including tools necessary for its realisation, was modelled...
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Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets
PublicationGraphene-like nanosheets are the key elements of advanced materials and systems. The mechanical behavior of the structurally perfect 2D nanostructures is well documented, but that of polycrystalline ones is less understood. Herein, we applied molecular dynamics simulation (MDS) to take the fracture fingerprint of polycrystalline SiC nanosheets (PSiCNS), where monocrystalline SiC nanosheets (MSiCNS) was the reference nanosheet....
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Nonlinear numerical simulation of earthquake-induced pounding between timber frame buildings
PublicationEarthquakes may induce serious dynamic loads acting on buildings, which can lead to damage or even destruction of the whole structure. In densely populated areas, it is quite common that buildings are located very close one to another which can result in pounding between them during ground motions. Due to the environmental awareness, multi-story timber frame buildings are gaining popularity and therefore there is a need to investigate...
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Numerical simulation of temperature distribution of heat flow on reservoir tanks connected in a series
PublicationThe flow of temperature distribution through a medium in thermodynamic studies plays an important role in understanding physical phenomena in chemical science and petroleum engineering, while temperature distribution indicates the degree of reaction that must be undergone to obtain the final product. Therefore, this paper aims to present and apply the exponential matrix algorithm (EMA), differential transformation algorithm (DTA),...
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Effective Formula for Impact Damping Ratio for Simulation of Earthquake-induced Structural Pounding
PublicationStructural pounding during earthquakes may cause substantial damage to colliding structures. The phenomenon is numerically studied using different models of collisions. The aim of the present paper is to propose an effective formula for the impact damping ratio, as a parameter of the impact force model used to study different problems of structural pounding under seismic excitations. Its accuracy has been verified by four various...
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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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Computational Fluid Dynamics Simulation of Gas–Liquid Multiphase Flow in T-junction for CO2 Separation
PublicationThe article presents the results of a computational fluid dynamics (CFD) analysis of gas-liquid multiphase flow. The simulation was conducted using CFD code and the Euler–Euler approach. The presented study relates to the non–reactive, steady-state, turbulent flow of water and carbon dioxide mixture in a 3D pipe. Separation phenomenon between phases is observed. The solution was obtained using a mixture model. Different values...
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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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Development of a simulation model of the activities of a transport and forwarding enterprise in the organization of international road cargo transportation
PublicationThe object of this study is the process of planning the work of a transport and forwarding company when serving different categories of customers who need organizational support for the delivery of goods by road transport in international traffic. The solved problem is due to the need to devise recommendations for organizing the work of forwarders when interacting with customers of transport and forwarding services that export...