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Search results for: dynamics
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublicationThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Dynamics of Oxidative Damage at Early Stages of Estrogen-dependant Carcinogenesis
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Molecular Dynamics of a Vasopressin V2 Receptor in a Phospholipid Bilayer Membrane
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Spectroscopy and Dynamics of Cryptolepine in the Nanocavity of Cucurbit[7]uril and DNA
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Dynamics of flexible multibody systems : Rigid finite element method.
PublicationW książce przedstawiono zagadnienie przekształceń jednorodnych, z punktu widzenia opisu dynamiki układów wielomasowych, złożonych z brył sztywnych. Omówiono metodę sztywnych elementów skończonych, w której model składa się z brył sztywnych połączonych elementami sprężystymi i tłumiącymi, a także jej wersję zmodyfikowaną. W modelu uwzględnia się duże przemieszczenia brył. Przedstawiono obliczenia dla belki wspornikowej oraz omówiono...
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Molecular-dynamics simulation of clustering processes in sea-ice floes
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Nonlinear principal component analysis of the tidal dynamics in a shallow sea
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Numerical modelling of thermodynamics and dynamics of sea ice in the Baltic Sea
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Dynamics of Organic Cations in Switchable Quinuclidinium Metal Chloride Dielectrics
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Dynamics of Topology-dependent Water Purification by Siliceous Zeolite Membranes
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Vegetation Dynamics and Diversity Status in Mughal Garden Wah, Pakistan
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Rigid ninite element method for dynamics of flexible multibody systems
PublicationW pracy przedstawiono metodę sztywnych elementów skończonych w nowym sformułowaniu bazującym na przekształceniach jednorodnych wraz ze złączowymi współrzędnymi. Omówiono klasyczną i zmodyfikowaną wersję metody, które różnią się nie tylko liczbą stopni swobody, ale także różniczkowaniem równań ruchu. Każda z wersji może być zastosowana do analizy liniowych i nieliniowych drgań, co pokazano na przykładzie belki wspornikowej.
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The structure of rarefied and densified PbSiO3 glass: a molecular dynamics study.
PublicationArtykuł przedstawia wyniki symulacji dynamiczno-molekularnychstruktury rozrzedzonego i zagęszczonego szkła PbSiO3 (w zakresie gęstości od 3000 kg/m3 do 8000 kg/m3). Otrzymane wyniki dokładnie przedyskutowano pod kątem blisko- i średnio-zasięgowego uporządkowania atomów i porównano ze strukturą szkła PbSiO3 o normalnej gęstości (5970kg/m3) oraz ze strukturą rozrzedzonych i zagęszczonych szkieł PbGeO3.
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Automatic assessment of the hearing aid dynamics based on fuzzy logic
PublicationPrzedstawiono podstawy koncepcyjne systemu dopasowania protez słuchu opartego na logice rozmytej. Przeprowadzono dyskusje na temat metody skalowania głośności. Następnie podano szczegóły procesu aproksymacji funkcji przynależności odzwierciedlające słuchowe wrażenia głośności. Załączono wnioski.
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Interaction of modes in nonlinear acoustics: theory and applications to pulse dynamics.
PublicationOgólna teoria oddziaływania modów hydrodynamicznych opiera się na wyprowadzeniu równań różniczkowych nieliniowych. Mody rozumiane są tu jako wektory własnych układów praw zachowań hydrodynamicznych. Rozpatrywano zjawiska towarzyszące fali akustycznej w przepływie lepkim nieliniowym. Uwzględniono płyny w każdym fizycznym równaniu stanu.
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Lattice dynamics of HgSe: Neutron scattering measurements andab initiostudies
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Dynamics near nonhyperbolic fixed points or nontransverse homoclinic points
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Dynamics of Systems with a Discontinuous Hysteresis Operator and Interval Translation Maps
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Cation diffusion coefficients in CuAgI via molecular dynamics simulations
PublicationPraca prezentuje wyniki analizy strukturalnej otrzymane poprzez symulacje dynamiczno-molekularne (zespół NpT, dwuciałowy potencjał Vashisty-Rahmana) superjonowego związku o składzie (1-x)Cu-xAg-I, x = 0.0, 0.25, 0.5, 0.75, 1.0). Wyznaczono wartość współczynnika dyfuzji kationów i energii aktywacji w funkcji składu szkła i temperatury. Otrzymane rezultaty porównano z danymi literaturowymi.
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On the non-linear dynamics of torus-shaped and cylindrical shell structures
PublicationIn this study, the non-linear dynamic analysis of torus-shaped and cylindrical shell-like structures has been studied. The applied material is assumed as the functionally graded material (FGM). The structures are considered to be used for important machines such as wind turbines. The effects of some environmental factors on the analysis like temperature and humidity have been considered. The strain field has been calculated in...
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Proceedings of the 9th International Conference on Structural Dynamics, EURODYN 2014
PublicationSince offshore wind turbine supporting structures are subjected to dynamic environments with time-varying loading conditions, it is important to model their dynamic behavior and validate these models by means of vibrational experiments. In this paper assessment of dynamical state of the structure is investigated by means of both: numerical modeling, and experimental modal analysis. In experimental modal analysis, capturing the...
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The dynamics of total outputs of Indonesian industrial sectors: A further study
PublicationThe purpose of the current study is to extend the previous studies which analyze the impacts of final demands modifications on the total outputs of industrial sectors of a particular country. More specifically, the study conducts the analysis regarding the impacts on the total outputs of Indonesian industrial sectors. The study employs a demand-pull Input-Output (IO) quantity model, one of the calculation instruments in the IO...
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Dynamics of a simplified HPT model in relation to 24h TSH profiles
PublicationWe propose a simplified mathematical model of the hypothalamus-pituitary-thyroid (HPT) axis in an endocrine system. The considered model is a modification of the model proposed by Mukhopadhyay and Bhattacharyya in [10]. Our system of delay differential equations reconstructs the HPT axis in relation to 24h profiles of human in physiological conditions. Homeostatic control of the thyroid-pituitary axis is considered by using...
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The dynamics of total outputs of Indonesian industrial sectors: A further study
PublicationThe purpose of the current study is to extend the previous studies which analyze the impacts of final demands modifications on the total outputs of industrial sectors of a particular country. More specifically, the study conducts the analysis regarding the impacts on the total outputs of Indonesian industrial sectors. The study employs a demand pull Input-Output (IO) quantity model, one of the calculation instruments in the IO...
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Dynamics of the small-span railway bridge under moving loads
PublicationThe paper presents the results of dynamic analysis of the small-span railway bridge, subjected to an action of moving trains. Numerical simulations were performed using three different load models: series of moving forces, series of moving single-mass and double-mass oscillators. The parameters of the vehicle were taken from the existing EN57 train. The parameters of the bridge were taken from the existing steel span of 10,24 m...
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Simulation of the Dynamics of Renewable Energy Sources with Energy Storage Systems
PublicationThe intermittency of renewable energy sources (RES) constitutes a challenge for effective power system control. Fossil-fuel-based units offering ancillary power services to meet the short-term power imbalance are a financial and environmental burden for the society. Energy storage systems (ESS) can be the solution in view of the electricity market development and growing environmental concern. The major questions are, in what circumstances...
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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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Periodic Properties of 1D FE Discrete Models in High Frequency Dynamics
PublicationFinite element discrete models of various engineering 1D structures may be considered as structures of certain periodic characteristics. The source of this periodicity comes from the discontinuity of stress/strain field between the elements. This behaviour remains unnoticeable, when low frequency dynamics of these structures is investigated. At high frequency regimes, however, its influence may be strong enough to dominate calculated...
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Identification of Kinematic Excitation Function by the Modal Coordinates Estimation of the System's Dynamics
PublicationThe paper presents a method of the kinematic excitation courses’ identification in excitation points, based on the car road test acceleration at different measurement points. For the purpose of the laboratory fatigue life investigation of contemporary complex structures (e.g. cars bodies) and components of these structures (i.e. cars roofs), only a few first vibration modes are usually taken into account. During real life tests...
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Generating optimal paths in dynamic environments using RiverFormation Dynamics algorithm
PublicationThe paper presents a comparison of four optimisation algorithms implemented for the purpose of finding the shortest path in static and dynamic environments with obstacles. Two classical graph algorithms –the Dijkstra complete algorithm and A* heuristic algorithm – were compared with metaheuristic River Formation Dynamics swarm algorithm and its newly introduced modified version. Moreover, another swarm algorithm has been compared...
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Analysis of dynamics of a map-based neuron model via Lorenz maps
PublicationModeling nerve cells can facilitate formulating hypotheses about their real behavior and improve understanding of their functioning. In this paper, we study a discrete neuron model introduced by Courbage et al. [Chaos 17, 043109 (2007)], where the originally piecewise linear function defining voltage dynamics is replaced by a cubic polynomial, with an additional parameter responsible for varying the slope. Showing that on a large...
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A NUMERICAL STUDY ON THE DYNAMICS OF DENGUE DISEASE MODEL WITH FRACTIONAL PIECEWISE DERIVATIVE
PublicationThe aim of this paper is to study the dynamics of Dengue disease model using a novel piecewise derivative approach in the sense of singular and non-singular kernels. The singular kernel operator is in the sense of Caputo, whereas the non-singular kernel operator is the Atangana–Baleanu Caputo operator. The existence and uniqueness of a solution with piecewise derivative are examined for the aforementioned problem. The suggested...
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Studies of the Interaction Dynamics in Albumin-Chondroitin Sulfate Systems by Recurrence Method
PublicationThe physicochemical basis of lubrication of articular cartilage is still not fully understood. However, the synergy between components of the synovial fluid can be a crucial factor that could explain this phenomenon. This work presents a nonlinear data analysis technique named the recurrence method, applied to the system involving two components of synovial fluid: albumin and chondroitin sulfate (CS) immersed in a water environment....
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Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
PublicationThe lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin...
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublicationParylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...
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Quantum corrections to 4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are valuated with account of rest d − 1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of space- time functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional...
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A Comprehensive Review: Applications of the Kozeny–Carman Model in Engineering with Permeability Dynamics
PublicationIn this review article, we investigate the dynamic nature of the Kozeny–Carman Model concerning permeability and its application in engineering contexts. Providing insights into the changing dynamics of permeability within mining, petroleum, and geotechnical engineering, among other engineering applications. While some are complex and require additional modifcations to be applicable, others are simple and still function in specifc...
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Structure of liquid gold from tight-binding driven molecular-dynamics
PublicationPraca przedstawia wyniki symulacji ciekłego złota w nadkomórce periodycznej przy użyciu stworzonego przez autorów programu komputerowego, za pomocą połączonych metod dynamiki molekularnej (MD) i ciasnego wiązania (TB). Omówiono strukturę tak symulowanej cieczy, porównując ją z dostępnymi danymi doświadczalnymi oraz wynikami innych symulacji, pod kątem radialnej i kątowej funkcji rozkładu i elektronowej gęstości stanów.A tight-binding...
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Uncertainty Quantification in Experimental Structural Dynamics Identification of Composite Material Structures
PublicationComposite materials are widely used in manufacture of aerospace and wind energy structural components. These load carrying structures are subjected to dynamic time-varying loading conditions. Robust structural dynamics identification procedure impose tight constraints on the quality of modal models estimates obtained from vibration experiments. Modal testing results are influenced by numerous factors introducing uncertainty to...
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Utilizing pulse dynamics for non-invasive Raman spectroscopy of blood analytes
PublicationNon-invasive measurement methods offer great benefits in the field of medical diagnostics with molecular-specific techniques such as Raman spectroscopy which is increasingly being used for quantitative measurements of tissue biochemistry in vivo. However, some important challenges still remain for label-free optical spectroscopy to be incorporated into the clinical laboratory for routine testing. In particular, non-analyte-specific...
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublicationFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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Global dynamics in a stage-structured discrete-time population model with harvesting
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Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films
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Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
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Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems
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Simulation of the Opening and Closing of Hsp70 Chaperones by Coarse-Grained Molecular Dynamics
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Chapter 6 : Non-intrusive measurement techniques in bubble dynamics investigation
PublicationPrzedstawiono wyniki badań dynamiki pęcherzyków parowych i gazowych przy użyciu nieinwazyjnych metod optycznych i akustycznych.
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Studies of Nonlinear Sound Dynamics in Fluids Based on the Caloric Equation of State
PublicationThe sound speed and parameters of nonlinearity B/A, C/A in a fluid are expressed in terms of coefficients in the Taylor series expansion of an excess internal energy, in powers of excess pressure and density. That allows to conclude about features of the sound propagation in fluids, the internal energy of which is known as a function of pressure and density. The sound speed and parameters of nonlinearity in the mixture consisting...
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Quadratic stochastic operators as a tool in modelling the dynamics of a distribution of a population trait
PublicationQuadratic stochastic operators can exhibit a wide variety of asymptotic behaviours and these have been introduced and studied recently. In the present work we discuss biological interpretations that can be attributed to them. We also propose a computer simulation method to illustrate the behaviour of iterates of quadratic stochastic operators.