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Search results for: AIMD SIMULATIONS
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Simulation of hybridized nanofluids flowing and heat transfer enhancement via 3-D vertical heated plate using finite element technique
PublicationThe present study probed the creation of heat energy and concentrating into Newtonian liquids across vertical 3D-heated plates. The role of the Soret and Dufour theories in concentrating and energy formulas is discussed. The role of hybrid nanoparticles is introduced to illustrate particle efciency in terms of solute and thermal energy. It is removed a viscous dissipation process and a changing magnetic feld. The proposed approach...
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Evaluation of the influence of the opening pressure of a marine Diesel engine injector on the results of numerical simulation of the working cycle and their comparison with the results of the laboratory experiment
PublicationThe article presents the results of a numerical simulation of the working process carried out in a diesel engine. In the applied utility program DIESEL-RK, the laboratory engine Farymann Diesel type D10 was implemented. A selected inoperability of its functional fuel supply system - reduced opening pressure of the injector pinj - was introduced. The values of adequate diagnostic parameters were determined: working gas temperature...
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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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Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics
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The impact of initial and boundary conditions on severe weather event simulations using a high-resolution WRF model. Case study of the derecho event in Poland on 11 August 2017
PublicationPrecise simulations of severe weather events are a challenge in the era of changing climate. By performing simulations correctly and accurately, these phenomena can be studied and better understood. In this paper, we have verified how different initial and boundary conditions affect the quality of simulations performed using the Weather Research and Forecasting Model (WRF). For our analysis, we chose...
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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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The Impact of New Telematics Solutions on the Safety of Railway Traffic on the Example of Modern Simulators Railway Traffic Control Devices
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An Adaptive Network Model Simulating the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublicationThis paper investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organizational culture results in better mistake management and thus better organizational learning, (2) Effective organizational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader's behavior must align for the best learning effects....
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An Adaptive Network Model Simulating the Effects of Different Culture Types and Leader Qualities on Mistake Handling and Organisational Learning
PublicationThis paper investigates computationally the following research hypotheses: (1) Higher flexibility and discretion in organizational culture results in better mistake management and thus better organizational learning, (2) Effective organizational learning requires a transformational leader to have both high social and formal status and consistency, and (3) Company culture and leader’s behavior must align for the best learning effects....
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Aimad Koulali dr
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Dariusz Mikielewicz prof. dr hab. inż.
PeopleProfessor Dariusz Mikielewicz – born on February 6, 1967. in Gdansk. Here in 1974 he enrolled first to the Elementary School No. 17, and then in the Grammar School No. 5, named after Stefan Żeromski in Gdansk-Oliwa. After graduating from the Secondary School, with honors, in 1985 he successfully passed the entrance exams to the Faculty of Mechanical Engineering of Technical University of Gdansk, where he graduated with a very good...
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Personalized prediction of the secondary oocytes number after ovarian stimulation: A machine learning model based on clinical and genetic data
PublicationControlled ovarian stimulation is tailored to the patient based on clinical parameters but estimating the number of retrieved metaphase II (MII) oocytes is a challenge. Here, we have developed a model that takes advantage of the patient’s genetic and clinical characteristics simultaneously for predicting the stimulation outcome. Sequence variants in reproduction-related genes identified by next-generation sequencing were matched...
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Areas of Updraft Air Motion in an Idealised Weather Research and Forecasting Model Simulation of Atmospheric Boundary Layer Response to Different Floe Size Distributions
PublicationPresented dataset is part of a numerical modelling study focusing on the analysis of the influence of sea ice floe size distribution (FSD) on the horizontal and vertical structure of convection in the atmosphere. The total area and spatial arrangement of the up-drafts indicates that the FSD affects the total moisture content and the values of area averaged turbulent fluxes in the model domain. In fact, while convective updrafts...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Computer simulation of vibration surveillance of discretely idealised mechanical systems. Part II: Tool-workpiece vibration in a non-stationary model of the cutting process
PublicationPrzedmiotem rozważań jest problem nadzorowania drgań narzędzie-przedmiot obrabiany w procesie skrawania. Dokonano analizy obiektu badań oraz dynamiki skrawania. Utworzono niestacjonarny model obliczeniowy. Przedstawiono różne podejścia oraz przykłady symulacji komputerowych nadzorowania drgań z wykorzystaniem modelu niestacjonarnego. Bazowały one na sterowaniu optymalnym oraz sterowaniu skokową zmiana prędkości obrotowej wrzeciona....
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Modelowanie i symulacja zaburzeń przewodzonych z zastosowaniem programów Saber i TCad = Modeling and simulation of conducted emissions with TCad and Saber programs
PublicationPrzedstawiono symulacyjne badania porównawcze w zakresie kompatybilności elektromagnetycznej EMC modelu obwodowego przetwornicy DC-DC podwyższającej napięcie. Wskazano na specyfikę modelowania wynikającą z potrzeby przewidywania propagacji zaburzeń przewodzonych EMI w szerokim zakresie częstotliwości. Wyznaczono model układu dla symulatora Saber i porównano pomiary charakterystyki widma EMI z wynikami otrzymanymi z symulacji. Zbadano...
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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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UE regional state aid for territories with low standard of living
Open Research DataThe dataset encompassed a choice of important legal acts, a list of selected Polish bibliography and a list of important individual decisions issued on the topic of regional state aid ( for investment purposes) in Poland in the periods 2007- 2013 and 2014- 2020. Thanks to that the reader gets the possibility to acquire basic knowledge on the abovementioned...
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EU state aid for fisheries and aquaculture in the perspective 2014-2020
Open Research DataThe dataset encompassed a choice of the most important legal acts, a list of selected Polish bibliography, and some examples of decisions issued by the EC on the topic of state aid for fisheries and aquaculture in Poland and in Germany. The data constitute a description of the basic state aid instruments used in practice in the period 2014-2020 for...
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state aid for research, development and innovation ( R+D+I)
Open Research DataThe dataset encompasses a choice of important legal acts, a list of selected Polish bibliography, some important individual EC decisions issued on the topic of state aid for research, development, and innovation during the budgetary periods 2007-2013 and 2014-2020. Thanks to that the reader gets the possibility to acquire basic knowledge on the abovementioned...
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EU state aid - compatible with the internal market for social reasons
Open Research DataThe dataset encompasses a choice of Polish and foreign bibliography, together with a list of important individual EC decisions issued in the period 2007-2013 on state aid delivered to final consumers for social reasons ( in Poland and in selected UE member states), in form of different financial instruments. Thanks to this compilation the reader is...
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Adjusting the Stiffness of Supports during Milling of a Large-Size Workpiece Using the Salp Swarm Algorithm
PublicationThis paper concerns the problem of vibration reduction during milling. For this purpose, it is proposed that the standard supports of the workpiece be replaced with adjustable stiffness supports. This affects the modal parameters of the whole system, i.e., object and its supports, which is essential from the point of view of the relative tool–workpiece vibrations. To reduce the vibration level during milling, it is necessary to...
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Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Data obtained by numerical simulation for X-ray focusing using a finite difference method
Open Research DataThe propagation of X-ray waves through an optical system consisting of many X-ray refractive lenses is considered. For solving the problem for an electromagnetic wave, a finite-difference method is applied.
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Adolfo Poma
PeopleI am the group leader of the computational modelling of biomolecules divison at the institute of Fundamental Technological Research Polish Academy of Sciences in Poland. My group was hosted between 2021-2022 by International Centre for Research on Innovative Bio-based Materials (ICRI-BioM). In 2008, I got a Master degree in computational physics from the State University of Campinas, Brazil. Then I moved to Germany and under the...
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IMPLEMENTATION OF THE POST-SYNODAL APOSTOLIC EXHORTATION "AMORIS LAETITIA" OF POPE FRANCIS IN THE PASTORAL CARE OF IRREGULAR SITUATIONS IN THE DIOCESE OF PŁOCK
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The dataset of simulations for optimal and non-optimal rotating receiver angles of multicoil dynamic wireless power transfer system
Open Research DataThe provided dataset is part of the simulation results shown in related journal paper "Optimal Rotating Receiver Angles Estimation for Multicoil Dynamic Wireless Power Transfer".
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Monte-Carlo Modeling of Optical Sensors for Postoperative Free Flap Monitoring
PublicationThis work aims to develop a numerical tissue model and implement software to simulate photon propagation using the Monte Carlo method to determine design guidelines for a physical measurement system. C++ was used for the simulation program, and Python as a programming environment to create an interface that allows the user to customize individual simulation elements, allowing for increased accuracy and flexibility when simulating...
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Monte-Carlo Modeling of Optical Sensors for Postoperative Free Flap Monitoring
PublicationThis work aims to develop a numerical tissue model and implement software to simulate photon propagation using the Monte Carlo method to determine design guidelines for a physical measurement system. C++ was used for the simulation program, and Python as a programming environment to create an interface that allows the user to customize individual simulation elements, allowing for increased accuracy and flexibility when simulating...
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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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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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MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
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Principles of patients selection and safety of repetitive transcranial magnetic stimulation – position statement of the Section of Biological Psychiatry of the Polish Psychiatric Association
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Sleep assessment in obsessive-compulsive disorder treated with deep brain stimulation - double case report of morning and evening chronotype patients
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Development and optimization of simplified method of fast sequential HR-CS-FAAS analysis of apple juices on the content of Ca, Fe, K, Mg, Mn and Na with the aid of response surface methodology
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublicationAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublicationInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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EU state aid within the Rural Development Program 2014-2020
Open Research DataThis dataset is a combination of EU and Polish legislation on the state aid in the agriculture sector, selected literature and few exemples of European Commission decisions on projects initiated in some EC Member States during the budgetary period 2014-2020. Careful reading of the materials will allow to review some effects of the state aid granted...
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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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Recent advances in traffic optimisation: systematic literature review of modern models, methods and algorithms
PublicationOver the past few decades, the increasing number of vehicles and imperfect road traffic management have been sources of congestion in cities and reasons for deteriorating health of its inhabitants. With the help of computer simulations, transport engineers optimise and improve the capacity of city streets. However, with an enormous number of possible simulation types, it is difficult to grasp valuable, innovative solutions which...
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Monte Carlo simulations
e-Learning CoursesVirtual platform for the project "Monte Carlo simulations of energetic electrons and positrons in condensed matter".
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Analysis of pharmacotherapy regimen and costs in patients with drug-resistant epilepsy following vagus nerve stimulation therapy: a single-center study (Poland)
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Various neuromodulation methods including Deep Brain Stimulation of the medial forebrain bundle combined with psychopharmacotherapy of treatment-resistant depression—Case report
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Koncepcja i symulacja polowa generatora o zmiennej częstotliwości. Zastosowanie w autonomicznych systemach elektroenergetycznych = Conception and field simulations of a variable frequency generator. Application for autonomous power generation system
PublicationStreszczenie angielskie: This paper covers a conception and simulation results for a brushless synchronous generator working with variable speed in an autonomous energy generation system (e.g. airplane power grid, hybrid vehicle, micro-CHP). The papers has two parts: presentation of the generator conception used in modern autonomous energy generation systems, and simulation results using filed model elaborated in Flux2D software....
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Shear fracture of longitudinally reinforced concrete beams under bending using Digital Image Correlation and FE simulations with concrete micro-structure based on X-ray micro-computed tomography images
PublicationThe paper presents experimental and numerical investigations of the shear fracture in rectangular concrete beams longitudinally reinforced with steel or basalt bar under quasi-static three point bending. Shear fracture process zone formation and development on the surface of beams was investigated by Digital Image Correlation (DIC) whereas thorough analyses of 3D material micro-structure, air voids, width and curvature of shear...
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Simulations of high-pressure fluid flow in a pre-cracked rock specimen composed of densely packed bonded spheres using a 3D CFD model and simplified 2D coupled CFD-DEM approach
PublicationW artykule zastosowano dwa różne podejścia do opisu jednofazowego przepływu płynu w wstępnie spękanej próbce skały o niskiej porowatości pod wysokim ciśnieniem. Głównym celem pracy było bezpośrednie porównanie rozkładu ciśnień, gęstości i prędkości płynów we wstępnie pękniętej próbce. Zachowanie próbki imitującej skałę zostało opisane przez gęsto upakowane połączone kohezją kulki z nakładającymi się na siebie elementami. Pierwsze...
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Tadeusz Stolarski prof. dr hab. inż.
People