Atomistic Modeling of Materials Failure is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biologicalmaterials. This detailed overview includes computational methods and techniques operating 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 philosophiesof model building, simulation, interpretation and analysis of results. Readers will find a physics-motivated discussion of the numerical techniques along with a review of required mathematical and physics backgrounds. 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 understanding of atomic-scale mechanisms of brittle fracture and materials deformation Provides links between classical continuum theories and physics and chemistry related approaches INDICE: Introduction.- Basics of Atomistic, Continuum and Multiscale Methods.- Basic Continuum Mechanics.- Atomistic Elasticity.- Physical Properties.- Deformation and Dynamical Failure of Brittle Materials.- Deformation and Fracture of Ductile Materials.- Size Effects in Small-Scale and Biological Materials.
- ISBN: 978-0-387-76425-2
- Editorial: Springer
- Encuadernacion: Cartoné
- Páginas: 375
- Fecha Publicación: 01/08/2008
- Nº Volúmenes: 1
- Idioma: Inglés