The aim of the book is to describe some of the recent advances, through computer simulation in a broad sense, in the understanding of the complex processes occurring in solids and liquids.The rapid growth of computer power, including the new parallel processors, has stimulated a ferment of new theoretical and computational ideas, which have been developed in particular by the authors in a pluriennal research project supported by Consiglio Nazionale delle Ricerche (CNR) for the development of novel software for large scale computations.The book will cover advances in ab initio (Car-Parrinello) molecular dynamics, quantum monte carlo simulations, self-consistent density functional computation of electronic states, classical molecular dynamics simulation of thermodynamic processes, chemical reactions and transport properties.Besides the description of the results of these techniques in leading edge applications, the book will address specific aspects of the algorithms and software which have been developed by the authors in order to implement in an efficient way the new theoretical advances in these computationally intensive problems.These aspects which are generally not discussed in any detail in the literature, can be of great help for newcomers in the field.

Progress in Computational Physics is a new e-book series devoted to recent research trends in computational physics. It contains chapters contributed by outstanding experts of modeling of physical problems. The series focuses on interdisciplinary computat

This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.

This advanced textbook provides an introduction to the basic methods of computational physics.

The CRC Handbook of Thermal Engineering, Second Edition, is a fully updated version of this respected reference work, with chapters written by leading experts. Its first part covers basic concepts, equations and principles of thermodynamics, heat transfer, and fluid dynamics. Following that is detailed coverage of major application areas, such as bioengineering, energy-efficient building systems, traditional and renewable energy sources, food processing, and aerospace heat transfer topics. The latest numerical and computational tools, microscale and nanoscale engineering, and new complex-structured materials are also presented. Designed for easy reference, this new edition is a must-have volume for engineers and researchers around the globe.

This volume brings together the experience of specialists in the entire field of applications of Materials Science. The volume contains 196 of the excellent papers presented at the conference. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.

This book identifies opportunities, priorities, and challenges for the field of condensed-matter and materials physics. It highlights exciting recent scientific and technological developments and their societal impact and identifies outstanding questions for future research. Topics range from the science of modern technology to new materials and structures, novel quantum phenomena, nonequilibrium physics, soft condensed matter, and new experimental and computational tools. The book also addresses structural challenges for the field, including nurturing its intellectual vitality, maintaining a healthy mixture of large and small research facilities, improving the field's integration with other disciplines, and developing new ways for scientists in academia, government laboratories, and industry to work together. It will be of interest to scientists, educators, students, and policymakers.

This volume contains the articles presented at the 16th International Meshing Roundtable (IMR) organized, in part, by Sandia National Laboratories and held in Seattle, Washington, U.S.A. in October, 2007. The volume presents recent results of mesh generation and adaptation which has applications to finite element simulation. It introduces theoretical and novel ideas with practical potential.

Materials science institutions have always been crucial to the development of materials research. Even before materials science emerged as a discipline in the 20th century, these institutions existed in various forms. They provided specialized facilities for research, educated new generations of researchers, drafted policies and funded programs, enabled valuable connections between research groups, or played any other role which were needed to further the progress of materials science.This volume, the third in a series of volumes covering the development and history of materials science, presents illuminating perspectives on material science institutions. Twenty chapters are organized into six comprehensive parts of which each cover a characteristic aspect or historical feature. True to the topic they write about, the contributors to this volume have varied backgrounds. Some are materials scientists and engineers, but others are historians, philosophers of science, sociologists, or even directors of institutions themselves. This comprehensive, unified collection is a valuable resource for undergraduates, graduate students, academics, policymakers and professionals who are actively interested in materials science and its development from the past to the future.