Computational materials science : surfaces, interfaces, crystallization /
A.M. Ovrutsky and A.S. Prokhoda, Department of Physics of Metals, Faculty of Physics, Electronics and Computer Systems, Oles Gonchar Dnipropetrovs'k National University, Dnipropetrovs'k, Ukraine ; M.S. Rasshchupkyna, Department of Low-Dimensional and Metastable Materials, Max Planck Institute for Intelligent Systems, Stuttgart, Germany.
- xvii, 370 pages : illustrations ; 24 cm
- Elsevier insights .
- Elsevier insights. .
Includes bibliographical references.
Computer modeling of physical phenomena and processes -- Basic concepts in theory of phase transformations -- Diffusion problems of crystal growth: methods of numerical solutions -- Structure of the boundary surfaces -- Adsorption. The Gibbs Adsoprtion Equation -- Simulation techniques for atomic systems -- The surface processes during crystalization -- Modern simulations by the molecular dynamics method -- Computational experiments in materials science.