Computational materials science : surfaces, interfaces, crystallization /

Ovrutsky, A. M.,

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.

9780124201439 (hbk.) 0124201431 (hbk.)

2013950535

GBB386578 bnb

016502974 Uk


Materials science--Computer simulation.
Materials science--Mathematical models.
Materials science--Simulation methods.
Crystallization--Computer simulation.
Crystals--Structure--Computer simulation.
Interfaces (Physical sciences)--Computer simulation.

TA404.23 / .O87 2014

548.50113