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Search results for: dynamika mechanizmow
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Efekty egoistycznych ataków na poziomie mac w sieciach ad hoc o topologii wieloskokowej
PublicationStacje sieci ad hoc mogą manipulować parametrami dostępu do medium transmisyjnego dla osiągnięcia nienależnie wysokiej jakości usług. Dla środowiska sieci ad hoc o topologii wieloskokowej rozważane są ataki na mechanizmy odłożenia transmisji i klasyfikacji ruchu, przeprowadzane zarówno w stosunku do przepływów źródłowych jak i tranzytowych. Wyniki pozwalają wstępnie ocenić efekty takich ataków oraz skuteczność mechanizmów obronnych.
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CLIMATE DYNAMICS
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On the Mechanism of Coupled Transport of Cu(II) Ions Through Bulk Liquid Membranes.
PublicationTransport jonów Cu(II) przez ciekłe membrany za pomocą 5 - nonylosalicyloaldoksimu jako przenośnika wymaga obecności kompleksu o stosunku metalu do przenośnika 1:2. Zbadano dwie możliwości mechanizmu jego tworzenia. Roztrzygnięcie, który mechanizm jest prawidłowy nie jest możliwe w oparciu jedynie o kinteykę chemiczną.
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Termodynamika oddziaływań i przejść strukturalnych DNA w układach wodnych na podstawie symulacji metodą dynamiki molekularnej
PublicationKwas deoksyrybonukleinowy jest jednym z najistotniejszych elementów każdej żywej komórki ze względu na rolę głównego nośnika informacji genetycznej. Posiada on instrukcje potrzebne do wzrostu, budowy, funkcjonowania oraz namnażania się wielu żywych organizmów, w tym także wirusów. Okazuje się, że w zależności od warunków środowiskowych, DNA może przyjmować wiele różnych struktur drugorzędowych, z których większość stanowi formy...
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Piotr Skurski prof. dr hab.
PeoplePiotr Stanisław Skurski (ur. 25 sierpnia 1969 w Gdańsku) – polski chemik specjalizujący się w chemii kwantowej i fizycznej, profesor nauk chemicznych, profesor zwyczajny Wydziału Chemii Uniwersytetu Gdańskiego, kierownik Katedry Chemii Teoretycznej i Pracowni Chemii Kwantowej na tym wydziale, a także Professor of Chemistry w Henry Eyring Center for Theoretical Chemistry na Uniwersytecie Utah w Stanach Zjednoczonych. W latach 2011-2016 członek...
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Dynamic Languages Symposium
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Dynamic Graph Workshop
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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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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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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublicationThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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Triticale extrudates – Changes of macrostructure, mechanical properties and molecular water dynamics during hydration
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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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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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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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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublicationAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Thermodynamics, size, and dynamics of zwitterionic dodecylphosphocholine and anionic sodium dodecyl sulfate mixed micelles
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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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MEL zeolite nanosheet membranes for water purification: insights from molecular dynamics simulations
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Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
PublicationHyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...
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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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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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Tool Life and Process Dynamics in High Speed Ball End Milling of Hardened Steel
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Dynamics of Microbiome Changes in the Endometrium and Uterine Cervix during Embryo Implantation: A Comparative Analysis
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Population dynamics of Baltic herring since the Viking Age revealed by ancient DNA and genomics
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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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Fem and time stepping procedures in non-linear dynamics of flexible branched shell structures.
PublicationW pracy dyskutowano problemy całkowania równań ruchu, sformułowanych w ramach nieliniowej sześcioparametrowej teorii powłok. Główne myśli dotyczą zbieżności rozwiązań uzyskanych w procesie aproksymacji przestrzennej i czasowej oraz analizy stabilności rozwiązań MES.
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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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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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The Effect of Openings’ Size and Location on Selected Dynamical Properties of Typical Wood Frame Walls
PublicationThe wooden frame constructions are now popular in many developed countries of the world. Many of these locations where such buildings are constructed are exposed to seismic and other shocks which are generated by human activities. This paper discusses the effect of the size and location of openings in the wooden frame walls under dynamic loadings. Natural frequencies of such frames with and without openings have been determined....
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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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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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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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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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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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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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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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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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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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Study of the selection mechanism of heavy metal (Pb 2+, Cu 2+, Ni 2+ and Cd2+) adsorption on clinoptilite
PublicationBadano proces adsorpcji jonów metali ciężkich (w warunkach statycznych) z wodnych roztworów jednoskładnikowych i wieloskładnikowych na klinoptylolicie zarówno surowym jak i po wstępnej obróbce. Proces sorpcji ma charakter procesu jonowymiennego i składa sie z trzech etapów:- adsorpcji na powierzchni mikokryształów,- inwersji,- adsorpcji wewnątrz mikrokryształów.Proces sorpcji może być dobrze opisany zarówno za pomocą modelu Frendlicha...
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Dynamic GNSS Mission Planning Using DTM for Precise Navigation of Autonomous Vehicles
PublicationNowadays, the most widely used method for estimating location of autonomous vehicles in real time is the use of Global Navigation Satellite Systems (GNSS). However, positioning in urban environments using GNSS is hampered by poor satellite geometry due to signal obstruction created by both man-made and natural features of the urban environment. The presence of obstacles is the reason for the decreased number of observed satellites...
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Image Quality Assessment Tool for Conventional and Dynamic Magnetic Resonance Imaging Acquisitions
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublicationW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...