Overview
Makes new molecular modeling techniques available to a wider community of engineers and scientists
Discusses large-scale molecular dynamics modeling applied to fracture and deformation
Covers recent advances in the understanding of atomic-scale mechanisms of brittle fracture and materials deformation
Provides links between classical continuum theories and physics and chemistry related approaches
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Table of contents (8 chapters)
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Front Matter
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Introduction
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Basics of Atomistic, Continuum and Multiscale Methods
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Back Matter
Keywords
About this book
Atomistic Modeling of Materials Failure is an introduction to molecular and atomistic modeling techniques applied to solid fracture and deformation. Focusing on a variety of brittle, ductile, geometrically confined and biological materials, this detailed overview includes computational methods at the atomic scale, and describes how these techniques can be used to model the dynamics of cracks and other deformation mechanisms.
A full description of molecular dynamics (MD) as a numerical modeling tool covers the use of classical interatomic potentials and implementation of large-scale massively parallelized computing facilities in addition to the general philosophies of model building, simulation, interpretation and analysis of results. Readers will find an analytical discussion of the numerical techniques along with a review of required mathematical and physics fundamentals. Example applications for specific materials (such as silicon, copper, fibrous proteins) are provided as case studies for each of the techniques, areas and problems discussed.
Providing an extensive review of multi-scale modeling techniques that successfully link atomistic and continuum mechanical methods, Atomistic Modeling of Materials Failure is a valuable reference for engineers, materials scientists, and researchers in academia and industry.
Editors and Affiliations
Bibliographic Information
Book Title: Atomistic Modeling of Materials Failure
Editors: Markus J. Buehler
DOI: https://doi.org/10.1007/978-0-387-76426-9
Publisher: Springer New York, NY
eBook Packages: Engineering, Engineering (R0)
Copyright Information: Springer-Verlag US 2008
Hardcover ISBN: 978-0-387-76425-2Published: 19 August 2008
Softcover ISBN: 978-1-4419-4551-8Published: 01 April 2010
eBook ISBN: 978-0-387-76426-9Published: 07 August 2008
Edition Number: 1
Number of Pages: LXVIII, 492
Number of Illustrations: 331 b/w illustrations
Topics: Solid Mechanics, Characterization and Evaluation of Materials, Classical Mechanics, Biomaterials, Nanotechnology