Download or read book Computer Modelling of Fluids Polymers and Solids written by Richard Catlow and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Multiscale Modeling of Fluids and Solids written by Martin Oliver Steinhauser and published by Springer Science & Business Media. This book was released on 2007-10-28 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Devastatingly simple, yet hugely effective, the concept of this timely text is to provide a comprehensive overview of computational physics methods and techniques 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.
Download or read book Mechanics of Solid Polymers written by Jorgen S Bergstrom and published by William Andrew. This book was released on 2015-07-11 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Very few polymer mechanics problems are solved with only pen and paper today, and virtually all academic research and industrial work relies heavily on finite element simulations and specialized computer software. Introducing and demonstrating the utility of computational tools and simulations, Mechanics of Solid Polymers provides a modern view of how solid polymers behave, how they can be experimentally characterized, and how to predict their behavior in different load environments. Reflecting the significant progress made in the understanding of polymer behaviour over the last two decades, this book will discuss recent developments and compare them to classical theories. The book shows how best to make use of commercially available finite element software to solve polymer mechanics problems, introducing readers to the current state of the art in predicting failure using a combination of experiment and computational techniques. Case studies and example Matlab code are also included. As industry and academia are increasingly reliant on advanced computational mechanics software to implement sophisticated constitutive models – and authoritative information is hard to find in one place - this book provides engineers with what they need to know to make best use of the technology available. - Helps professionals deploy the latest experimental polymer testing methods to assess suitability for applications - Discusses material models for different polymer types - Shows how to best make use of available finite element software to model polymer behaviour, and includes case studies and example code to help engineers and researchers apply it to their work
Download or read book Modeling and Simulation in Polymers written by Purushottam D. Gujrati and published by John Wiley & Sons. This book was released on 2010-03-30 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.
Download or read book Computer Modeling in Inorganic Crystallography written by C.Richard A. Catlow and published by Elsevier. This book was released on 1997-02-03 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Multiscale Simulation and Design written by and published by Academic Press. This book was released on 2011-06-27 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the increasing importance of multi-scale computation in engineering, stimulated by the dramatic development of computer technology and understanding of multi-scale structures, an issue on multi-scale simulation and design--or so-called virtual process engineering--is now edited. ACE published an issue with title of multi-scale analysis in 2005 (vol 35). The intention of the present volume is different, trying to elucidate the bottlenecks and to identify the correct directions for the coming years from the process and product engineering point of view. Both fundamental and practical contributions will be provided from academia and industry. - Updates and informs the reader on the latest research findings using original reviews - Written by leading industry experts and scholars - Reviews and analyzes developments in the field
Download or read book New Approaches to Problems in Liquid State Theory written by Carlo Caccamo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 527 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of simple and complex fluids has made considerable recent progress, due to the emergence of new concepts and theoretical tools, and also to the availability of a large body of new experimental data on increas ingly complex systems, as well as far-reaching methodological developments in numerical simulations. This AS! aimed at providing a comprehensive overview of the most significant theoretical developments, supplemented by a few presentations of cutting-edge simulation and experimental work. The impact of the Institute in the overall landscape of Statistical Mechanics received an important recognition with its inclusion in the list of satellite events of STATPHYS20, the triennal international conference on Statistical Physics held in Paris in July 1998. These Proceedings contain the texts of the 13 Lecture Courses and 9 Invited Seminars delivered at Patti. Two clear trends emerge from these Proceedings: first, the diversity of new and unexpected theoretical results relating to classic models of liq uids, which have recently been subjected to fresh scrutiny; and secondly the parallel emergence of new concepts, models and methods, aimed at investigating complex fluids and phenomena, like the phase behaviour of fluids in pores, macromolecular assemblies, and the glass transition. Many of the new tools have their roots in traditional liquid state theory, and, in conjunction with fresh input from related fields, allow it wider applicability.
Download or read book 13th Symposium on Industrial Crystallization written by and published by IChemE. This book was released on 1996 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Simulation in Chemical Physics written by M. P. Allen and published by Springer Science & Business Media. This book was released on 1993 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of a NATO ASI held near Alghero, Italy in September 1992. The school focused on recent progress in applying the methods of computer simulation to problems in chemical physics. The 14 lectures address topics including the molecular dynamics method, advanced Monte Carlo techniques, thermodynamic constraints, computer simulations in the Gibbs ensemble, effective pair potentials and beyond, first principles molecular dynamics, computer simulation methods for nonadiabatic dynamics in condensed systems, long length- scale aspects of self organization phenomena, computer simulation of polymers, computer simulation of surfactants, parallel computing and molecular dynamics simulations, and scientific visualization--a user view. Annotation copyright by Book News, Inc., Portland, OR
Download or read book Solid State Physics written by S. L. Chaplot and published by Alpha Science Int'l Ltd.. This book was released on 2002 with total page 726 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume covers the proceedings of the 44th Department of Atomic Engineering (DAE) Solid State Physics Symposium.With contributions of papers from institutions from around the world. Contains 316 research articles, including 28 invited papers, on a wide range of topics of current interest in solid state physics comprising the following categories: Phase Transitions Phonons Soft-condensed Matter Electronic Structure Novel Materials Superconductivity Experimental Techniques and Instrumentation Magnetism Liquids, Glasses and Amorphous Systems Transport Properties Relaxation Studies Semiconductor Physics Surface Science Key Features: Recent developments in Synchrotron Research Photo-electron Spectroscopy Newly emerging superconductors
Download or read book New Trends in Materials Chemistry written by Charles Richard Arthur Catlow and published by . This book was released on 1997 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aspires to a coherent survey of the field by considering all the major aspects of the current study of the chemistry of materials. Some of the 18 papers emphasize basic techniques, such as new synchrotron sources in crystallography; new computational techniques in simulation studies of complex materials; and crystallographic, microscopic, spectroscopic, and other characterization methods. Others explore principles such as atomic transport, reactivity, and catalysis. Still others focus on specific classes of materials, including solid-state ionics, ceramics, and microporous and molecular materials. Reproduced from typescripts, some double spaced. Annotation copyrighted by Book News, Inc., Portland, OR
Download or read book Stability of Materials written by A. Gonis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt: Engineering materials with desirable physical and technological properties requires understanding and predictive capability of materials behavior under varying external conditions, such as temperature and pressure. This immediately brings one face to face with the fundamental difficulty of establishing a connection between materials behavior at a microscopic level, where understanding is to be sought, and macroscopic behavior which needs to be predicted. Bridging the corresponding gap in length scales that separates the ends of this spectrum has been a goal intensely pursued by theoretical physicists, experimentalists, and metallurgists alike. Traditionally, the search for methods to bridge the length scale gap and to gain the needed predictive capability of materials properties has been conducted largely on a trial and error basis, guided by the skill of the metallurgist, large volumes of experimental data, and often ad hoc semi phenomenological models. This situation has persisted almost to this day, and it is only recently that significant changes have begun to take place. These changes have been brought about by a number of developments, some of long standing, others of more recent vintage.
Download or read book International Conference on Solid State Crystals 2000 written by Antoni Rogalski and published by SPIE-International Society for Optical Engineering. This book was released on 2001 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Observation Prediction and Simulation of Phase Transitions in Complex Fluids written by Marc Baus and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Solid State Crystals Growth and Characterization written by Józef Żmija and published by SPIE-International Society for Optical Engineering. This book was released on 1997 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Modelling and Computation for Applications in Mathematics Science and Engineering written by Joseph W. Jerome and published by Oxford University Press, USA. This book was released on 1998 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses many of the connections between cutting edge applications and advanced numerical and algorithmic techniques. Topics include models for long-range molecular forces; biological and chemical contamination, including hierarchical problem-solving ideas from computer science; discrete mathematics, including connections to the buckyball structure of carbon 60; dimension-reduction techniques in incompressible fluid mechanics; aspects of charge transport, bridging compressible fluids (gas dynamics) and semiconductors; the approximation problem in control theory; questions related to weighted approximation by polynomials in the complex plane; and high friction limits of hydrodynamic models.
