Atomistic Modeling of Materials Failure

1. Auflage. Softcover version of original hardcover Auflage 2008
ISBN: 978-1-4419-4551-8
Verlag: Springer US

Buch, Englisch, 492 Seiten, Previously published in hardcover, Format (B × H): 155 mm x 235 mm, Gewicht: 838 g

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, is a valuable reference for engineers, materials scientists, and researchers in academia and industry.

Zielgruppe

Research

Autoren/Hrsg.

Buehler, Markus J.

Fachgebiete

• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde Werkstoffprüfung
• Technische Wissenschaften Technik Allgemein Nanotechnologie
• Naturwissenschaften Physik Mechanik Klassische Mechanik, Newtonsche Mechanik
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde Festigkeitslehre, Belastbarkeit
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde Kontinuumsmechanik

Inhaltsverzeichnis

Basics of Atomistic, Continuum and Multiscale Methods.- Basic Atomistic Modeling.- Basic Continuum Mechanics.- Atomistic Elasticity: Linking Atoms and Continuum.- Multiscale Modeling and Simulation Methods.- Material Deformation and Failure.- Deformation and Dynamical Failure of Brittle Materials.- Deformation and Fracture of Ductile Materials.- Deformation and Fracture Mechanics of Geometrically Confined Materials.