Handbook Of Materials Modeling: Methods And Models by Sidney YipHandbook Of Materials Modeling: Methods And Models by Sidney Yip

Handbook Of Materials Modeling: Methods And Models

bySidney Yip

Hardcover | June 8, 2005

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This Handbook contains a set of articles introducing the modeling and simulation of materials from the standpoint of basic methods and studies. The intent is to provide a compendium that is foundational to an emerging ?eld of computational research, a new discipline that may now be called Compu- tional Materials. This area has become suf?ciently diverse that any attempt to cover all the pertinent topics would be futile. Even with a limited scope, the present undertaking has required the dedicated efforts of 13 Subject Editors to set the scope of nine chapters, solicit authors, and collect the manuscripts. The contributors were asked to target students and non-specialists as the primary audience, to provide an accessible entry into the ?eld, and to offer references for further reading. With no precedents to follow, the editors and authors were only guided by a common goal -to produce a volume that would set a standard toward de?ning the broad community and stimulating its growth. The idea of a reference work on materials modeling surfaced in conver- tions with Peter Bin?eld, then the Reference Works Editor at Kluwer Academic Publishers, in the spring of 1999. The rationale at the time already seemed quite clear - the ?eld of computational materials research was t- ing off, powerful computer capabilities were becoming increasingly available, and many sectors of the scienti?c community were getting involved in the enterprise.
Title:Handbook Of Materials Modeling: Methods And ModelsFormat:HardcoverDimensions:2965 pagesPublished:June 8, 2005Publisher:Springer-Verlag/Sci-Tech/TradeLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:1402032870

ISBN - 13:9781402032875

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Table of Contents

Handbook of Materials Modeling Volume I Methods and Models Editor Sidney Yip, Massachusetts Institute of Technology Subject Editors Martin Bazant, Massachusetts Institute of Technology Bruce Boghosian, Tufts University Richard Catlow, Royal Institution, UK Long-Qing Chen, Pennsylvania State University William Curtin, Brown University Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory Nicolas Hadjiconstantinou, Massachusetts Institute of Technology Mark F. Horstemeyer, Mississippi State University Efthimios Kaxiras, Harvard University L. Mahadevan, Harvard University Dimitrios Maroudas, University of Massachusetts Nicola Marzari, Massachusetts Institute of Technology Horia Metiu, University of California Santa Barbara Gregory C. Rutledge, Massachusetts Institute of Technology David J. Srolovitz, Princeton University Bernhardt L. Trout, Massachusetts Institute of Technology Dieter Wolf, Argonne National Laboratory Sidney Yip, Massachusetts Institute of Technology Springer Science and Business Media to be published in 2005 Handbook of Materials Modeling Volume 1 Methods and Models (Part A Methods) Preface List of Subject Editors List of Contributors Introduction Chap 1. Electronic Scale Chap 2. Atomistic Scale Chap 3. Mesoscale/Continuum Methods Chap 4. Mathematical Methods (Part B Models) Preface List of Subject Editors List of Contributors Chap 5. Rate Processes Chap 6. Crystal Defects Chap 7. Microstructure Chap 8. Fluids Chap 9. Polymers and Soft Matter Plenary Perspectives Handbook of Materials Modeling Vol. 1 Methods and Models Table of Contents Chap 1. Electronic Scale 1.1 Introduction (Nicola Marzari, Efthimios Kaxiras, Bernhardt L. Trout) 1.2 Concepts for Modeling Electrons in Solids: A Perspective (Marvin L. Cohen) 1.3 Achieving Predictive Simulations with Quantum Mechanical Forces: Problems, Prospects, and the Transfer Hamiltonian (Rodney J. Bartlett, Decarlos E. Taylor and Anatoli Korkin) 1.4 First-Principles Molecular Dynamics (Roberto Car, Filippo de Angelis, Paolo Giannozzi, Nicola Marzari) 1.5 Electronic Structure Calculations with Localized Orbitals. The Siesta Method (Emilio Artacho, Julian D. Gale, Alberto Garcia, Javier Junquera, Richard M. Martin, Pablo Ordejón, Daniel Sánchez Portal, José M. Soler) 1.6 Electronic Structure Methods: Augmented Waves, Pseudopotentials (Peter E. Blöchl, Johannes Kästner, Clemens J. Först) 1.7 Real-Space Methods for ab initio Calculations (James R. Chelikowsky) 1.8 An Introduction to Orbital-Free Density Functional Theory (Vincent Lignères and Emily A. Carter) 1.9 Ab initio Thermodynamics and Statistical Mechanics of Surface Properties and Functions (Karsten Reuter, Catherine Stampfl, and Matthias Scheffler) 1.10 Density-Functional Linear Response Theory (Paolo Giannozzi, Stefano Baroni) 1.11 Quasiparticle and Optical Properties of Solids and Nanostructures: the GW/BSE approach (Steven G. Louie and Angelo Rubio) 1.12 Hybrid Quantum Mechanics/Molecular Mechanics Methods and Their Applications (Marek Sierka and Joachim Sauer) 1.13 Ab initio Molecular Dynamics

Editorial Reviews

[T]he handbook largely fulfills its aim to be the defining reference volume in the area, and certainly no serious library should be without it. However, many mainstream materials scientists, modeling specialists, and nonspecialists alike, may also find themselves benefitting from a sustained study of a personal copy, as the application of materials modeling continues to transform their subject areas.      --James Elliott, University of Cambridge, in Materials Today