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Search results for: DYNAMIC PARALLELISM
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Molecular aspects of the interaction between amphotericin B and a phospholipid bilayer: molecular dynamics studies.
PublicationAmfoterycyna B jest antybiotykiem z grupy polienów makrolidowych. Stosowany jest on w leczeniu układowych infekcji grzybowych. Wiadomo że związek ten oddziałuje ze składnikami błon lipidowych i tworzy kanały. W przedstawianej pracy prezentowane są wyniki symulacji przeprowadzonej dynamiką molekularną układu składającego się z 200 cząsteczek lipidów DMPC i jednej cząsteczki amfoterycyny ułożonej na powierzchni błony. Z przeprowadzonej...
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Kontrasty, metamorfozy, styl - czyli rozważania o dynamice przemian architektury XX wieku.
PublicationBadanie ciągłych przemian w sposobie kreowania architektury zarówno w teorii jak i praktyce budowania na przestrzeni ostatnich stu lat doprowadziło do wyodrębnienia pewnych matematycznie ujętych zależności.
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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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Numerical Modeling of Water and Ice Dynamics for Analysis of Flow Around the Kiezmark Bridge Piers
PublicationThis paper presents the results of a numerical model study on the effect of ice on the proposed bridge piers in the Vistula River outlet and its effect on flow conditions in the river. The model DynaRICE is used in this study, which is a two-dimensional hydro-ice dynamic numerical model developed for dynamic ice transport and jamming in rivers. To simulate river hydrodynamics in the vicinity of the bridge piers, 2-dimensional numerical...
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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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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Molecular dynamics study on the role of solvation water in the adsorption of hyperactive AFP to the ice surface
PublicationUsing computer simulations, the early stages of the adsorption of the CfAFP molecule to the ice surface were analyzed. We found that the ice and the protein interact at least as early as when the protein is about 1 nm away from the ice surface. These interactions are mediated by interfacial solvation water and are possible thanks to the structural ordering of the solvent. This ordering leads to positional preference of the protein...
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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations
PublicationWe present a complete exploration of the different fragmentation mechanisms of furan (C4H4O) operating at low and high energies. Three different theoretical approaches are combined to determine the structure of all possible reaction intermediates, many of them not described in previous studies, and a large number of pathways involving three types of fundamental elementary mechanisms: isomerization, fragmentation, and H/H2 loss...
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INFORMATION ABOUT DYNAMICS OF THE SEA SURFACE AS A MEANS TO IMPROVE SAFETY OF THE UNMANNED VESSEL AT SEA
PublicationOne of the fundamental states of the sea surface is its heave. Despite of years of the intense scientific inquiry, no clear understanding of the influence of this aspect on the dynamics of the sea environment has emerged. The separation of two nearby fluid elements which one may observed for example as a free floating of small objects on the sea surface (rescuers on the rough sea or small research vessels) is caused by the interaction...
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Fractional neutron point kinetics equations for nuclear reactor dynamics – Numerical solution investigations
PublicationThis paper presents results concerning numerical solutions to a fractional neutron point kinetics model for a nuclear reactor. The paper discusses and expands on results presented in (Espinosa-Paredes et al., 2011). The fractional neutron point kinetics model with six groups of delayed neutron precursors was developed and a numerical solution using the Edwards’ method was proposed (Edwards et al., 2002). The mathematical model...
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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublicationThe influence of ligand protonation on the photophysics of a ruthenium (Ru) dyad bearing the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline (ippy) ligand was investigated by time-resolved transient absorption spectroscopy. It was found that changes in the protonation state of the imidazole group led to changes in the electronic configuration of the lowest lying excited state. Formation of the fully deprotonated imidazole...
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Dynamics analysis of footbridge mode shapes the s8 expressway on the basis of the results of in situ tests
PublicationNon-destructive diagnostics for structure may use dynamic measurements realized during vibrations of a facility induced by dynamic environmental impact, enforced by the use of inductors or impulse impact. Dynamic tests and the analysis were undertaken for a footbridge situated over the expressway S8. The studies in situ allowed for dynamic characteristics to be determined: frequency, shape modes and damping for respective frequency...
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Numerical tests of time-stepping schemes in the context of FEM for 6-field shell dynamics
PublicationThe paper deals with integration of dynamic equations of irregular shells performed with relatively long time steps. Numerical instability appearing often in this kind of analysis motivated the authors to present some studies based on numerical tests referring to convergence problems of finite element analysis as well the applied stability conditions. The analysis is carried out on simulations of shell dynamics with the where the...
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Dynamics of productivity in higher education. Cross-European evidence based on bootstrapped Malmquist indices
PublicationThis study presents patterns of productivity change in a large set of 266 public higher education institutions (HEIs) from 7 European countries across the time period 2001-2005. We adopt consistent bootstrap estimation procedures to obtain confidence intervals for Malmquist indices of HEI productivity and their components. Consequently, we are able to assess statistical significance of the changes in HEIs' productivity, efficiency...
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Smart modeling support for managing complexities and dynamics of knowledge-based systems - part 2
PublicationPrzedstawiono i poddano analizie najnowsze trendy w zakresie kierunków badań dotyczących inteligentnego wspomagania zarządzania dynamiką i kompleksowością systemów opartych na wiedzy.
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Dynamics of productivity in higher education: cross-european evidence based on bootstrapped Malmquist indices
PublicationAbstract This study examines patterns of productivitychange in a large set of 266 public higher educationinstitutions (HEIs) in 7 European countries across the timeperiod 2001-2005. We adopt consistent bootstrap estimationprocedures to obtain confidence intervals for Malmquistindices of HEI productivity and their components.Consequently, we are able to assess the statistical significanceof changes in HEI productivity, efficiency...
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The dynamics of the total output of the Japanese fisheries sector: An analysis using input-output approach
PublicationThe purpose of this study is to investigate the dynamics of the total output of the fisheries industry when the changes of the final demand occur. This study focuses on the case of Japan. This study employs a demand-pull Input-Output (IO) quantity model, one of the calculation instruments in the IO analysis, as an analysis tool. Two conditions are included in calculation and analysis parts, namely (1) “whole sector change”, and...
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Source-related Wavefields in Fluids and Dielectrics: A new way of Thinking about Medium Dynamics
PublicationAcoustic and electromagnetic wave phenomena may seem to have a proper formal representation in field theory dating from the 19th century, founded on the mathematics of complex functions. This paper shows, however, that when replacing the classical spectrum-domain approach related to the assumption of harmonic timeform of signals, with a time-domain approach imposingnorestrictionastotheclassoftimeevolutionofsourceandfieldsignals,...
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Multimodal analysis of traction forces and the temperature dynamics of living cells with a diamond-embedded substrate
PublicationCells and tissues are constantly exposed to chemical and physical signals that regulate physiological and pathological processes. This study explores the integration of two biophysical methods: traction force microscopy (TFM) and optically detected magnetic resonance (ODMR) to concurrently assess cellular traction forces and the local relative temperature. We present a novel elastic substrate with embedded nitrogen-vacancy microdiamonds...
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Unusual dynamics and nonlinear thermal self-focusing of initially focused magnetoacoustic beams in a plasma
PublicationUnusual thermal self-focusing of two-dimensional beams in plasma which axis is parallel to the equilibrium straight magnetic field is considered. The equi- librium parameters of plasma determine scenario of a beam divergence (usual or unusual) which is stronger as compared with a flow without magnetic field. Nonlinear thermal self-action of a magnetosonic beam behaves differently in the ordinary and unusual cases. Damping of wave...
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Experimental and numerical analysis of the pyrolysis dynamics of a single wood particle: presentation of the radiographic technique
PublicationPyrolysis is an oxygen-free process for the thermal decomposition of raw materials. The heat conduction and flow of pyrolysis products (i.e., the gas fraction and liquid vapour generated during pyrolysis) influence the process and products. In this work, the influence of the orientation of wooden particle fibres with respect to the direction of the heat source on the dynamics of the process was investigated, where there were two...
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An adaptive-noise Augmented Kalman Filter approach for input-state estimation in structural dynamics
PublicationThe establishment of a Digital Twin of an operating engineered system can increase the potency of Structural Health Monitoring (SHM) tools, which are then bestowed with enhanced predictive capabilities. This is particularly relevant for wind energy infrastructures, where the definition of remaining useful life is a main driver for assessing the efficacy of these systems. In order to ensure a proper representation of the physical...
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A spline-based FE approach to modelling of high frequency dynamics of 1-D structures
PublicationIn this paper a computational methodology leading to the development of a new class of FEs, based on the application of continuous and smooth approximation polynomials, being splines, has been presented. Application of the splines as appropriately defined piecewise elemental shape functions led the authors to the formulation of a new approach for FEM, named as spFEM, where contrary to the well-known NURBS approach, the boundaries...
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Design and computational fluid dynamics analysis of the last stage of innovative gas-steam turbine
PublicationResearch regarding blade design and analysis of flow has been attracting interest for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics and computational flow mechanics. Currently a combination of mentioned methods is used for the design of turbine blades. These methods enabled us to improve flow efficiency...
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Bistability in a One-Dimensional Model of a Two-Predators-One-Prey Population Dynamics System
PublicationIn this paper, we study a classical two-predators-one-prey model. The classical model described by a system of three ordinary differential equations can be reduced to a one-dimensional bimodalmap. We prove that this map has at most two stable periodic orbits. Besides, we describe the bifurcation structure of the map. Finally, we describe a mechanism that leads to bistable regimes. Taking this mechanism into account, one can easily...
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An automatic selection of optimal recurrent neural network architecture for processes dynamics modelling purposes
PublicationA problem related to the development of algorithms designed to find the structure of artificial neural network used for behavioural (black-box) modelling of selected dynamic processes has been addressed in this paper. The research has included four original proposals of algorithms dedicated to neural network architecture search. Algorithms have been based on well-known optimisation techniques such as evolutionary algorithms and...
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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Recent development in rigorous computational methods in dynamical systems
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Index filtrations and Morse decomposition for discrete dynamical systems
PublicationOn a Morse decomposition of an isolated invariant set of a homeomorphism(discrete dynamical system) there are partial orderings defined by the homeomorphism.These are called admissible orderings of the...
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Index filtrations and Morse decompositions for discrete dynamical systems
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Stability by linear approximation for time scale dynamical systems
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Dynamical description of quantum computing: generic nonlocality of quantumnoise
PublicationWe develop a dynamical non-Markovian description of quantum computing in the weak-coupling limit, in the lowest-order approximation. We show that the long-range memory of the quantum reservoir (such as the 1/t4 one exhibited by electromagnetic vacuum) produces a strong interrelation between the structure of noise and the quantum algorithm, implying nonlocal attacks of noise. This shows that the implicit assumption of quantum error...
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Stability by linear approximation for time scale dynamical systems
PublicationWe study systems on time scales that are generalizations of classical differential or difference equations and appear in numerical methods. In this paper we consider linear systems and their small nonlinear perturbations. In terms of time scales and of eigenvalues of matrices we formulate conditions, sufficient for stability by linear approximation. For non-periodic time scales we use techniques of central upper Lyapunov exponents...
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Modelowanie dynamiki warstwy gruntu na stole sejsmicznym
PublicationPodsumowano wyniki badań warstwy gruntu sypkiego na stole sejsmicznym. Pierwsza grupa badań dotyczyła analizy osiadań warstwy gruntu suchego, poddanego poziomym drganiom o zadanej częstości i amplitudzie przyspieszenia, głównie harmonicznego. Druga grupa badań dotyczyła dynamiki warstwy nawodnionego gruntu, przy ustalonej amplitudzie poziomego przyspieszenia oraz różnych częstościach. Opisano same doświadczenia, podsumowano najważniejsze...
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Dynamika miar zaufania w teleinformatycznym systemie wieloagentowym
PublicationSformułowano model interakcji agentów (elementów systemu teleinformatycznego) oraz dynamiki ich miar zaufania w sytuacji wirtualnej anonimowości agentów, przypadkowego wyboru partnerów oraz typowego algorytmu agregacji danych reputacyjnych. Determini-styczne przybliżenie dynamiki markowowskiej pozwala obserwować istotne charakterystyki stanu ustalonego.
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Model empiryczny określający dynamikę niskonapięciowego łuku zwarciowego
PublicationW artykule przedstawiono zagadnienia związane z jednym z najpoważniejszych zakłóceń pracy urządzeń rozdzielczych, jakimi są zwarcia łukowe. szczególną uwagę poświęcono wpływowi znaczeniu zmian prędkości chwilowej przemieszczającego się łuku awaryjnego. w artykule zamieszczono opis prostego modelu ruchu niskonapięciowego łuku wielkoprądowego palącego się pomiędzy równoległymi, prostoliniowymi szynami swobodnie w powietrzu o ciśnieniu...
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Dynamical nonlocality in quantum time via modular operators
PublicationWe formalize the concept of the modular energy operator within the Page and Wootters timeless framework. As a result, this operator is elevated to the same status as the more studied modular operators of position and momentum. In analogy with dynamical nonlocality in space associated with the modular momentum, we introduce and analyze the nonlocality in time associated with the modular energy operator. Some applications of our...
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Wpływ obciążenia siłowego na dynamikę napędu pneumatycznego
PublicationPrzedstawione wyniki wskazują na możliwość kształtowania charakteru ruchu roboczego pneumatycznego napędu liniowego poprzez dobór siły obciążającej (przeciwdziałającej ruchowi roboczemu) oraz parametrów pracy siłownika (wartości ciśnień zasilania dla komór siłownika). Wartości tych wielkości zależą od parametrów konstrukcyjnych napędu takich jak: długość skoku i masa elementów ruchomych siłownika
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Dynamics of Asymmetric Conflict: Pathways toward Terrorism and Genocide
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SAE International Journal of Vehicle Dynamics Stability and NVH
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Dynamics of Continuous, Discrete and Impulsive Systems Series A: Mathematical Analysis
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Qualitative Theory of Dynamical Systems
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Journal of Dynamical Systems and Geometric Theories
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Geografia Fisica e Dinamica Quaternaria
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MATHEMATICAL AND COMPUTER MODELLING OF DYNAMICAL SYSTEMS
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A Dynamic Forecast Demand Scenario Analysis to Design an Automated Parcel Lockers Network in Pamplona (Spain) Using a Simulation-Optimization Model
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Dynamic mechanical properties and thermal degradation process of the compositions obtained from unsaturated poly(ester urethanes) cross-linked with styrene
PublicationW pracy przedstawiono właściwości dynamiczno-mechaniczne oraz stabilność termiczną poli(estro uretanów) sieciowanych styrenem. Badane poli(estro uretany) syntetyzowano z nienasyconych oligomeroli opartych na cis-2-buten-1,4-diolu oraz 4,4`-diizocyjanianie difenylometanu. Wyniki badań dynamicznych właściwości mechanicznych otrzymanych poliuretanów potwierdziły separację fazową uzyskanych kompozycji. W pracy przedstawiono również...
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Thermal decomposition of some aromatic azomonoethers. Part II. Non-isothermal study of three liquid crystals in dynamic air atmosphere
PublicationW ramach pracy zweryfikowano stabilność termiczną trzech barwników azowych o właściwościach ciekłokrystalicznych - potencjalnych prekursorów do otrzymywania warstw stosowanych w optyce nieliniowej. Zarejestrowano przebiegi TG, DTG, DTA oraz DSC jak również analizowano skład gazów powstających podczas rozpadu za pomocą przystawki FTIR. Przeprowadzono analizę kinetyki rozkładu, wyznaczając energię aktywacji procesu.
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Dynamic electrochemical impedance spectroscopy and polarization studies to evaluate the inhibition effect of benzotriazole on copper-manganese-aluminium alloy in artificial seawater
PublicationPrzeprowadzono badania wpływu benzotriazolu (BTA) na korozję nowego typ mosiądzu (CMA) w środowisku syntetycznej wody morskiej przy użyciu dynamicznej elektrochemicznej spektroskopii impedancyjnej (DEIS), techniki polaryzacji rezystancyjnej i ekstrapolacji krzywych Tafela. Wyniki pomiarowe otrzymane przy użyciu tych metod wskazują spadek szybkości korozji wraz ze wzrostem stężenia BTA. Wskazuje to na inhibicyjne własności BTA w...
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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...