Computer Modelling Of Fluids Polymers And Solids
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Computer Modelling Of Fluids Polymers And Solids
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Author : Richard Catlow
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computer Modelling Of Fluids Polymers And Solids written by Richard Catlow and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Computer Modelling techniques have developed very rapidly during the last decade, and interact with many contemporary scientific disciplines. One of the areas of greatest activity has concerned the modelling of condensed phases, including liquids solids and amorphous systems, where simulations have been used to provide insight into basic physical processes and in more recent years to make reliable predictions of the properties of the systems simulated. Indeed the predictive role of simulations is increasingly recognised both in academic and industrial contexts. Current active areas of application include topics as diverse as the viscosity of liquids, the conformation of proteins, the behaviour of hydrogen in metals, the diffusion of molecules in porous catalysts and the properties of micelles. This book, which is based on a NATO ASI held at the University of Bath, UK, from September 5th-17th, 1988, aims to give a general survey of this field, with detailed discussions both of methodologies and of applications. The earlier chapters of the book are devoted mainly to techniques and the later ones to recent simulation studies of fluids, polymers (including biological molecules) and solids. Special attention is paid to the role of interatomic potentials which are the fundamental physical input to simulations. In addition, developments in computer hardware are considered in depth, owing to the crucial role which such developments are playing in the expansion of the horizons of computer modelling studies.
Computational Multiscale Modeling Of Fluids And Solids
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Author : Martin Oliver Steinhauser
language : en
Publisher: Springer
Release Date : 2016-11-29
Computational Multiscale Modeling Of Fluids And Solids written by Martin Oliver Steinhauser and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-29 with Science categories.
The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the basic physical principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale, and the chapters follow this classification. The book explains in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. The second edition has been expanded by new sections in computational models on meso/macroscopic scales for ocean and atmosphere dynamics. Numerous applications in environmental physics and geophysics had been added.
Computer Modeling In Inorganic Crystallography
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Author : C.Richard A. Catlow
language : en
Publisher: Elsevier
Release Date : 1997-02-03
Computer Modeling In Inorganic Crystallography written by C.Richard A. Catlow and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-02-03 with Science categories.
Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors. The central theme of the book is the use of modern simulation techniques as a structural tool in solid state science. Computer Modelling in Inorganic Crystallography describes the current range of techniques used in modeling crystal structures, and strong emphasis is given to the use of modeling in predicting new crystal structures and refining partially known structures. It also reviews new opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge of bonding in solids. - Includes a thorough review of the technical basis of relevant contemporary methodologies including minimization, Monte-Carlo, molecular dynamics, simulated annealing methods, and electronic structure methods - Highlights applications to amorphous and crystalline solids - Surveys simulations of surface and defect properties of solids - Discusses applications to molecular and inorganic solids
Computer Simulations Of Liquid Crystals And Polymers
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Author : Paolo Pasini
language : en
Publisher: Springer Science & Business Media
Release Date : 2005
Computer Simulations Of Liquid Crystals And Polymers written by Paolo Pasini and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Liquid crystals categories.
Observation Prediction And Simulation Of Phase Transitions In Complex Fluids
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Author : Marc Baus
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Observation Prediction And Simulation Of Phase Transitions In Complex Fluids written by Marc Baus and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Observation, Prediction and Simulation of Phase Transitions in Complex Fluids presents an overview of the phase transitions that occur in a variety of soft-matter systems: colloidal suspensions of spherical or rod-like particles and their mixtures, directed polymers and polymer blends, colloid--polymer mixtures, and liquid-forming mesogens. This modern and fascinating branch of condensed matter physics is presented from three complementary viewpoints. The first section, written by experimentalists, emphasises the observation of basic phenomena (by light scattering, for example). The second section, written by theoreticians, focuses on the necessary theoretical tools (density functional theory, path integrals, free energy expansions). The third section is devoted to the results of modern simulation techniques (Gibbs ensemble, free energy calculations, configurational bias Monte Carlo). The interplay between the disciplines is clearly illustrated. For all those interested in modern research in equilibrium statistical mechanics.
Transition From Fluid To Solid
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Author :
language : en
Publisher: American Concrete Institute
Release Date : 2009
Transition From Fluid To Solid written by and has been published by American Concrete Institute this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Technology & Engineering categories.
Summary: This publication contains the twelve papers presented at a full-day technical session sponsored by the American Concrete Insitute. The subject matter of these papers includes: (1) the development of concrete properties and microstructure at early ages, (2) test methods for assessing early-age volume change and cracking potential, (3) construction operations timing, (4) computer simulations of early-age behavior, and (5) mechanisms that end the concrete dormant period.
Computational Methods In Surface And Colloid Science
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Author : Malgorzata Borowko
language : en
Publisher: CRC Press
Release Date : 2019-04-23
Computational Methods In Surface And Colloid Science written by Malgorzata Borowko and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-04-23 with Science categories.
This volume presents computer simulation methods and mathematical modelling of physical processes used in surface science research. It offers in-depth analysis of advanced theoretical approaches to behaviours of fluids in contact with porous, semiporous and nonporous solid surfaces. The book also explores interfacial systems for a wide variety of p
Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics
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Author : Bruce J Berne
language : en
Publisher: World Scientific
Release Date : 1998-06-17
Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-06-17 with Science categories.
The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Computer Modelling Of Polymer Processing
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Author : E. Andreassen
language : en
Publisher: iSmithers Rapra Publishing
Release Date : 1992
Computer Modelling Of Polymer Processing written by E. Andreassen and has been published by iSmithers Rapra Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Technology & Engineering categories.
The use of computers to numerically analyse polymer processing was first reported as for back as the 1950's, and the first commercial software became available around 20 years ago. Much research has been carried out since that time, and this report aims to summarise contemporary trends in both commercial and academic research and development. An additional indexed section containing several hundred abstracts from the Rapra Polymer Library database provides useful references for further reading.
Condensed Matter Physics Aspects Of Electrochemistry Proceedings Of The Conference
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Author : Mario P Tosi
language : en
Publisher: World Scientific
Release Date : 1991-09-30
Condensed Matter Physics Aspects Of Electrochemistry Proceedings Of The Conference written by Mario P Tosi and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991-09-30 with categories.
This volume of proceedings contains contributions which provide an overview of theoretical electrochemistry from a condensed matter physics point of view. Main attention is focused on developments in the theory of liquids and solutions, structure, adsorption and electric and optical properties of the electrochemical interface, kinetics of charge transfer reactions, fractal and superconducting electrodes, solar energy conversion and power sources.