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Search results for: molecular dynamic simulation
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Numerical simulation of axisymmetric valve operation for different outer cone angle
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Geometrically nonlinear finite element simulation of smart piezolaminated plates and shells
PublicationW pracy zaproponowano powłokowy element skończony pozwalający na uwzględnienie efektu piezoelektrycznego. Element został wykorzystany w podejściu Lagrange'a, które wymaga starannego dobrania definicji wielkości mechanicznych i elektrycznych. Zależności przemieszczenie-odkształcenie zbudowano na bazie teorii małych odkształceń i umiarkowanych obrotów. Założono liniowy rozkład pól odkształceń i pola elektrycznego po grubości powłoki....
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Numerical Simulation of Electron Beam Welding Process of Inconel 706 Sheets
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Modelling and FE-simulation of plastic ductile damage evolution in plates and shells
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Large eddy simulation predictions of absolutely unstable round hot jet
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Comparison of Aging Simulation to Real Aging of Silicone Self-adhesives Tapes
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New method of processing heat treatment experiments with numerical simulation support
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Planning for sustainable development of energy infrastructure: fast – fast simulation tool
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A simulation investigation into the signal reconstruction accuracy of the transducer with pulse frequency output
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Simulation of backup rolls quenching with experimental study of deep cryogenic treatment
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Probabilistic limit state analysis of framed structures. The Monte Carlo simulation.
PublicationW pracy opisano koncepcję rozkładu prawdopodobieństwa stanu granicznego konstrukcji. Koncepcja ta oparta jest na problemowo zorientowanej procedurze symulacyjnej Monte Carlo. Niezawodnosć lub prawdopodobieństwo awarii układu oblicza się na podstawie rozkładu prawdopodobieństwa stanu granicznego.
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Probabilistic limit state analysis of framed structures. The Monte Carlo simulation.
PublicationW pracy opisana jest koncepcja rozkładu prawdopodobieństwa stanu granicznego konstrukcji, oparta na specjalnej procedurze symulacyjnej Monte Carlo. Główną ideę stanowi obliczenie mnożnika obciażenia granicznego w każdym kroku symulacyjnym. Niezawodnosć lub prawdopodobieństwo awarii konstrukcji sa charakterystykami rozkładu prawdopopdobieństwa stanu granicznego. Szczegółowo opisano dwa warianty symulacji.
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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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Operation of an ultra short fuse shunted by a semiconductor device: simulation and experiments.
PublicationW artykule przedstawiono ideę działania i wymagane cechy ultraszybkiego bezpiecznika w ograniczniku hybrydowym z równoległym elementem półprzewodnikowym. Eksperyment i modelowanie działanie bezpiecznika przeprowadzono dla spodziewanego prądu zwarciowego 2 kA. Symulacje wykonano przy użyciu programu polowego FLUX. Jego zastosowanie do modelowania ultrakrótkich bezpieczników zostało również przedstawione.
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Simulation studies of process flow with in-line part inspection in machining cells
PublicationRozwinięto koncepcję zintegrowanego planowania i sterowania przebiegiem procesu w zrobotyzowanym elastycznym gnieździe obróbkowym (EGO)z maszyną współrzędnościową, realizującą funkcje pomiaru i kontroli wytwarzanych przedmiotów. Analizowano współzależności heurystycznych planów kontroli oraz stosowanych algorytmów szeregowania operacji procesów technologicznych wg określonych scenariuszy, z zastosowaniem programowalnych modeli...
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Conditional random field simulation of ground motions for large shell structures.
PublicationZaprezentowano metodę stochastycznego modelowania efektu propagacji fali trzęsienia ziemi i analizowano wpływ tego efektu na konstrukcje powłokowe znacznych rozmiarów. Symulowane przy użyciu tej metody rejestry trzęsień ziemi w wybranych punktach podporowych mogą być wykorzystane do analizy dynamicznej zachowania się konstrukcji. Przykładem analizowanej konstrukcji budowlanej jest zbiornik cylindryczny o średnicy 100 m.
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Numerical simulation of behaviour of thin-walled frames subjected to static loads
PublicationArtykuł poświęcony jest problemowi zachowania się ramy, zbudowanej z elementów cienkościennych o przekroju bisymetrycznym obciążonej momentem skręcającym.
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Noise as stimulus signal for digital circuits noise immunity measurementand simulation
PublicationWyniki pomiarów podatności na zakłócenia układów cyfrowych istotnie zależą od parametrów sygnału stymulujacego. Przedstawiono metodę pomiaru i symulacji dynamicznej odporności na zakłócenia z zastosowaniem sygnału szumu białego o różnej szerokości pasma częstotliwości. Modele symulacyjne dla sygnału pobudzającego (gaussowskiego szumu białego) zarówno szerokopasmowego jak i wąskopasmowego opracowano w środowisku programistycznym...
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Book review: Simulation-Driven Design Optimisation and Modelling for Microwave Engineering
PublicationCelem książki jest przedstawienie aktualnego stanu badań dotyczących projektowania układów mikrofalowych poprzez modelowanie i optymalizacje wspomagane symulacjami elektromagnetycznymi. Grupa międzynarodowych ekspertów zajmujących się rożnymi aspektami komputerowo wspomaganego projektowania układów mikrofalowych, podsumowuje i dokonuje przeglądu ostatnich osiągnięć w tej dziedzinie oraz przedstawia szereg praktycznych zastosowań....
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Simulation of the remanence influence on the transient states in a single-phase multiwinding transformer
PublicationThis paper presents the mathematical model of a single-phase multi-winding core type transformer taking into account magnetic hysteresis phenomenon based on the feedback Preisach model (FPM). The set of loop differential equations was developed for a K-th winding transformer model where the flux linkages of each winding includes flux Φ common to all windings as a function of magneto motive force Θ of all windings. The first purpose...
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Accurate simulation-driven modeling and design optimization of compact microwave structures
PublicationCost efficient design optimization of microwave structures requires availability of fast yet reliable replacement models so that multiple evaluations of the structure at hand can be executed in reasonable timeframe. Direct utilization of full-wave electromagnetic (EM) simulations is often prohibitive. On the other hand, accurate data-driven modeling normally requires a very large number of training points and it is virtually infeasible...
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Vibration surveillance supported by Hardware-In-the-Loop Simulation in milling flexible workpieces
PublicationW artykule przedstawiono nowoczesne podejście do problemu minimalizacji poziomu drgań podczas frezowania szybkościowego elementów podatnych. Do analizy dynamicznej procesu skrawania zastosowano niestacjonarny model opisany we współrzędnych hybrydowych. Na tej podstawie, przy wykorzystaniu energetycznego wskaźnika jakości wyprowadzono opis sygnału sterującego. Sygnał ten jest następnie stosowany do aktywnej redukcji drgań przedmiotu...
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Fast simulation-driven design optimization of UWB band-notch antennas
PublicationIn this letter, a simple yet reliable and automated methodology for rapid design optimization of ultra-wideband (UWB) band-notch antennas is presented. Our approach is a two-stage procedure with the first stage focused on the design of the antenna itself, and the secondstage aiming at identification of the appropriate dimensions of the resonator with the purpose of allocating the band-notch in the desired frequency range. For the...
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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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An application of simulation model of fuel consumption in diagnostic system of wheeled tractors
PublicationAn application of computer controlled fuel injection systems in vehicle engines and growing demands concerning toxic substances emission and fuel consumption was a main reason for OBD (On Board Diagnosis) development. In spite of a great technological development, only some tractors are equipped in diagnostic systems. On board diagnostic is strongly connected with emission demands and does not concern other important vehicle functions. In...
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Simulation and Experiment of a Compact Wideband 90^{circ} Differential Phase Shifter
PublicationArtykuł przedstawia projekt i analizę kompaktowego różnicowego przesuwnika fazy, który jest rozwinięciem konfiguracji zaproponowanej Abbosha poprzez modyfikację obciążenia wrót. Zaproponowana konfiguracja zawiera 3dB sprzęgacz kierunkowy z wrotami transmisyjnymi i sprzężonymi zakończonymi obciążeniami reaktancyjnymi. W artykule przedstawiono model teoretyczny prezentujący zasadę działania układu i jego projekt. Uzyskane wyniki...
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Numerical Simulation of two dimensional flow past a bridge cross section
PublicationThis work presents some numerical results concerning application of CFD in civil engineering problems. Selected theoretical aspects of fluid mechanics are elucidated. In the second part of the paper a cross section of upper footbridge of the Bella Sky Hotel in Copenhagen is analysed numerically in the field of wind action.
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Organic matter removal efficiency in treatment wetlands simulation by COD fractions
PublicationThe objective of this paper was to investigate the organic fraction (colloidal, particulate, and dissolved) in sewage treatment in treatment wetland. Performance of TWs was simulated well with a simple first order model k – C* based on monitoring data. In this investigation background or residual concentration (C*) was assumed to be equal concentration of input influent organic matter in particulate (CODp). Calculated reaction...
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The finite-difference simulation of x-rays propagation through a system of lenses
PublicationThe propagation of X-ray waves through an optical system consisting of 33 aluminum X-ray refractive lenses is considered. For solving the problem, a finite-difference method is suggested and investigated. It is shown that very small steps of the difference grid are necessary for reliable computation of propagation of X-ray waves through the system of lenses. It is shown that the wave phase is a function very quickly increasing...
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Rapid multi-objective simulation-driven design of compact microwave circuits
PublicationA methodology for rapid multi-objective design of compact microwave circuits is proposed. Our approach exploits point-by-point Pareto set identification using surrogate-based optimization techniques, auxiliary equivalent circuit models, and space mapping as the major model correction method. The proposed technique is illustrated and validated through the design of a compact rat-race coupler. A set of ten designs being trade-offs...
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Numerical simulation of a thin-walled beam with warping stiffeners undergoing torsion
PublicationW pracy rozwinięto koncepcję zastosowania superelementów węzłowych do modelowania stężeń konstrukcyjnych w belkach cienkościennych. Przeprowadzono analizę pracy belek cienkościennych o bisymetrycznym przekroju otwartym ze stężeniami bimomentowymi w formie przepon i przewiązek.
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Knowledge-Based Virtual Modeling and Simulation of Manufacturing Processes for Industry 4.0
PublicationABSTRACT Industry 4.0 aims at providing a digital representation of a production landscape, but the challenges in building, maintaining, optimizing, and evolving digital models in inter-organizational production chains have not been identified yet in a systematic manner. In this paper, various Industry 4.0 research and technical challenges are addressed, and their present scenario is discussed. Moreover, in this article, the novel...
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Simulation of shear localization in granular bodies within gradient-enhanced hypoplasticity.
PublicationW artykule przedstawiono wyniki numerycznej analizy ściskania w płaskim stanie odkształcenia dla materiałów granulowanych. Obliczenia przeprowadzono z modelem hipoplastycznym rozszerzonym o gradienty modułu przyrostu odkształceń. Obliczenia wykonano dla różnych długości charakterystycznych w próbce piasku zagęszczonego.
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Low-Cost Quasi-Global Optimization of Expensive Electromagnetic Simulation Models by Inverse Surrogates and Response Features
PublicationConceptual design of contemporary high-frequency structures is typically followed by a careful tuning of their parameters, predominantly the geometry ones. The process aims at improving the relevant performance figures, and may be quite expensive. The reason is that conventional design methods, e.g., based on analytical or equivalent network models, often only yield rough initial designs. This is especially the case for miniaturized...
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Analytical method of determining dynamic properties of thermocouples used in measurements of quick – changing temperatures of exhaust gases in marine diesel engines
PublicationThe article presents selected issues of mathematical modeling of heat exchange between the thermocouple and the exhaust gas flowing them, in unsteady conditions. On the way of energy balancing consideration of thermodynamic processes developed differential equations describing the dynamic properties for three versions of the design sheathed thermocouples: with weld isolated from the sheath, with weld welded the sheath and with...
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Investigation of volatile low molecular weight compounds formed during continuous reclaiming of ground tire rubber
PublicationGround tire rubber was thermo-mechanically reclaimed at different temperature conditions (80, 120, 160 °C) using a co-rotating twin screw extruder. The progress of ground tire rubber reclaiming was evaluated with specific mechanical energy, sol fraction and thermogravimetric analysis. Volatile organic compounds (VOCs) including volatile sulfur compounds (VCSs) released from ground tire rubber and ground tire rubber after reclaiming...
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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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Different molecular organization of two carotenoids, lutein and zeaxanthin, in human colon epithelial cells and colon adenocarcinoma cells
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Application of the finite element methods in long-term simulation of the multi-physics systems with large transient response differences
PublicationApplication of the Finite Element Method (FEM) and the Multibody Dynamics Method allows analyzing of complex physical systems. Complexity of the system could be related both to the geometry and the physical description of phenomenon. The metod is the excellent tool for analyzing statics or dynamics of the mechanical systems, and permits tracking of Multi Body System (MBS) transient response for the long-term simulations and application...
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Rapid multi-objective optimization of antennas using nested kriging surrogates and single-fidelity EM simulation models
PublicationEver increasing performance requirements make the design of contemporary antenna systems a complex and multi-stage process. One of the challenges, pertinent to the emerging application areas but also some of the recent trends (miniaturization, demands for multi-functionality, etc.), is the necessity of handling several performance figures such as impedance matching, gain, or axial ratio, often over multiple frequency bands. The...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublicationAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Modeling of Electrodynamic Phenomena in an Ultra-Rapid Inductive–Dynamic Actuator as Applied to Hybrid Short-Circuit Breakers - A Review Study
PublicationThis article is a study of the research development of electrodynamic phenomena occurring in ultra-fast electrodynamic drives. These types of linear drives are among the fastest, not only because of the huge accelerations achieved, but, above all, because of the extremely short reaction time. For this reason, electrodynamic drives are used in hybrid short-circuit breakers. The phenomena occurring in this type of drive are actually...
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Pharmacological Classification and Activity Evaluation of Furan and Thiophene Amide Derivatives Applying Semi-Empirical ab initio Molecular Modeling Methods
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Automatic Identification System (AIS) Dynamic Data Integrity Monitoring and Trajectory Tracking Based on the Simultaneous Localization and Mapping (SLAM) Process Model
PublicationTo enhance the safety of marine navigation, one needs to consider the involvement of the automatic identification system (AIS), an existing system designed for ship-to-ship and shipto- shore communication. Previous research on the quality of AIS parameters revealed problems that the system experiences with sensor data exchange. In coastal areas, littoral AIS does not meet the expectations of operational continuity and system availability,...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublicationDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Molecular and structural basis of inner core lipopolysaccharide alterations in Escherichia coli: incorporation of glucuronic acid and phosphoethanolamine in the heptose region.
PublicationIt is well established that lipopolysaccharide (LPS) often carries nonstoichiometric substitutions in lipid A and in the inner core. In this work, the molecular basis of inner core alterations and their physiological significance are addressed. A new inner core modification of LPS is described, which arises due to the addition of glucuronic acid on the third heptose with a concomitant loss of phosphate on the second heptose. This...
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Efficient Surrogate Modeling and Design Optimization of Compact Integrated On-Chip Inductors Based on Multi-Fidelity EM Simulation Models
PublicationHigh-performance and small-size on-chip inductors play a critical role in contemporary radio-frequency integrated circuits. This work presents a reliable surrogate modeling technique combining low-fidelity EM simulation models, response surface approximations based on kriging interpolation, and space mapping technology. The reported method is useful for the development of broadband and highly accurate data-driven models of integrated...
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Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems
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Selected molecular and microfluidic aspects of mammalian oocyte maturation-perspectives: a review
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