Download Full eBooks in PDF
Simulation Of Liquids And Solids Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Simulation Of Liquids And Solids book. This book definitely worth reading, it is an incredibly well-written.
Author : Giovanni Ciccotti,Daan Frenkel,Ian Ranald McDonald
Publisher : North Holland
Page : 504 pages
File Size : 51,6 Mb
Release : 1987
Category : Mathematics
ISBN : UOM:39015016072129
Author : M. P. Allen,D. J. Tildesley
Publisher : Oxford University Press
Page : 412 pages
File Size : 53,6 Mb
Release : 1989
Category : Computers
ISBN : 0198556454
Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.
Author : J. R. Solana
Publisher : CRC Press
Page : 400 pages
File Size : 52,6 Mb
Release : 2013-03-22
Category : Science
ISBN : 9781439807767
Perturbation theory forms an important basis for predicting the thermodynamic characteristics of real fluids and solids. This book provides a comprehensive review of current perturbation theories-as well as integral equation theories and density functional theories-for the equilibrium thermodynamic and structural properties of classical systems. Emphasizing practical applications, the book avoids complex theoretical derivations as much as possible. Appropriate for experienced researchers as well as postgraduate students, the text presents a wide-ranging yet detailed view and provides a useful guide to the application of the theories described.
Author : Richard Catlow,S.C. Parker,M.P. Allen
Publisher : Springer Science & Business Media
Page : 543 pages
File Size : 47,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789400924840
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.
Author : Michael P. Allen,Dominic J. Tildesley
Publisher : Oxford University Press
Page : 640 pages
File Size : 51,6 Mb
Release : 2017-08-15
Category : Science
ISBN : 9780192524706
This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
Author : M. P. Allen,Dominic J. Tildesley,D. J. Tildesley
Publisher : Oxford University Press
Page : 641 pages
File Size : 55,6 Mb
Release : 2017
Category : Computers
ISBN : 9780198803195
A first in its field, this book is both an introduction to computer simulation of liquids for upper level undergraduates and a how-to guide for specialists. The authors discuss the latest simulation techniques of molecular dynamics and the Monte Carlo methods as well as how to avoid common programming pitfalls. Theoretical concepts and practical programming advice are amply reinforced with examples of computer simulation in action and samples of Fortran code. The authors have also included a wide selection of programs and routines on microfiche to aid chemists, physicists, chemical engineers, and computer scientists, as well as graduate and advanced students in chemistry.
Author : Simon R. Philllpot
Publisher : Unknown
Page : 440 pages
File Size : 48,6 Mb
Release : 1998-04-24
Category : Science
ISBN : UOM:39015041907190
The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.
Author : S. Bratos,R. M. Pick
Publisher : Springer Science & Business Media
Page : 461 pages
File Size : 43,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461331117
This book has its or1g1n in a NATO Summer School organized from June 25 to July 7 1979, in Menton, France. The purpose of this School was a comparative study of the various aspects of vibra tional spectroscopy in molecular liquids and solids. This field has been rapidly expanding in the last decade; unfortunately, its development took place independently for liquids and for solids. In these circumstances, the comparison of the basic concepts and techniques used in these two branches of physics appeared as a necessity. The lectures given at the Menton Advanced Study Institute, as well as the exceptionally fruitful and lively discussions which followed them confirmed this point of view. The need of putting together these lectures, in the form of a monograph, clearly appeared during the ASI and the lecturers accepted to write down the material they presented at the Institute, improved thanks to the remarks of the participants. It is the result of this collective work which appears in the familiar Plenum Series.
Author : Charles Richard Arthur Catlow,William Carlysle Mackrodt
Publisher : Springer
Page : 340 pages
File Size : 54,5 Mb
Release : 1982
Category : Solids
ISBN : UCSC:32106005334179
Author : Angel Mulero
Publisher : Springer Science & Business Media
Page : 568 pages
File Size : 51,5 Mb
Release : 2008-07-09
Category : Science
ISBN : 9783540787662
Hard spheres and related objects (hard disks and mixtures of hard systems) are paradigmatic systems: indeed, they have served as a basis for the theoretical and numerical development of a number of fields, such as general liquids and fluids, amorphous solids, liquid crystals, colloids and granular matter, to name but a few. The present volume introduces and reviews some important basics and progress in the study of such systems. Their structure, thermodynamic properties, equations of state, as well as kinetic and transport properties are considered from different and complementary points of view. This book addresses graduate students, lecturers as well as researchers in statistical mechanics, physics of liquids, physical chemistry and chemical engineering.
Author : Valim Levitin
Publisher : John Wiley & Sons
Page : 323 pages
File Size : 42,8 Mb
Release : 2014-02-17
Category : Technology & Engineering
ISBN : 9783527335077
The connection between the quantum behavior of the structure elements of a substance and the parameters that determine the macroscopic behavior of materials has a major influence on the properties exhibited by different solids. Although quantum engineering and theory should complement each other, this is not always the case. This book aims to demonstrate how the properties of materials can be derived and predicted from the features of their structural elements, generally electrons. In a sense, electronic structure forms the glue holding solids together and it is central to determining structural, mechanical, chemical, electrical, magnetic, and vibrational properties. The main part of the book is devoted to an overview of the fundamentals of density functional theory and its applications to computational solid-state physics and chemistry. The author shows the technique for construction of models and the computer simulation methods in detail. He considers fundamentals of physical and chemical interatomic bonding in solids and analyzes the predicted theoretical outcome in comparison with experimental data. He applies first-principle simulation methods to predict the properties of transition metals, semiconductors, oxides, solid solutions, and molecular and ionic crystals. Uniquely, he presents novel theories of creep and fatigue that help to anticipate, and prevent, possibly fatal material failures. As a result, readers gain the knowledge and tools to simulate material properties and design materials with desired characteristics. Due to the interdisciplinary nature of the book, it is suitable for a variety of markets from students to engineers and researchers.
Author : Jannis Samios,Vladimir A. Durov
Publisher : Springer Science & Business Media
Page : 548 pages
File Size : 49,8 Mb
Release : 2013-11-11
Category : Science
ISBN : 9781402023842
The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.
Author : David M. Heyes
Publisher : John Wiley & Sons
Page : 272 pages
File Size : 45,7 Mb
Release : 1998
Category : Science
ISBN : UOM:39015039901684
Topics covered include basic theory, procedural aspects of implementation of basic equations on the computer and a review of recent applications in emerging areas of research.
Author : Martin Oliver Steinhauser
Publisher : Springer Science & Business Media
Page : 863 pages
File Size : 45,6 Mb
Release : 2008
Category : Science
ISBN : 9783540751168
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 physical basic 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. The chapters follow this classification. The book will explain 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 occasionally 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. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.
Author : Manfred L. Ristig,Klaus A. Gernoth
Publisher : Springer
Page : 196 pages
File Size : 53,7 Mb
Release : 2008-01-11
Category : Science
ISBN : 9783540458814
Interesting and new specific results of current theoretical and experimental work in various fields at the frontier of particle scattering and X-ray diffraction are reviewed in this volume. Special emphasis is placed on the study of the microstructure of solids, crystals and liquids, both classically and quantum mechanically. This gives the reader essential insights into the dynamics and properties of these states of matter. The authors address students interested in the physics of quantum solids, crystallography and material science as well as physical chemistry and computational physics.