Computational materials science [electronic resource] : 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.
- 作者： Ovrutsky, A. M.
- 其他作者：
- 出版： Amsterdam ;Boston : Elsevier 2014.
- 叢書名： Elsevier insights
- 主題： Materials science--Computer simulation. , Materials science--Mathematical models. , Materials science--Simulation methods. , Crystallization--Computer simulation. , Crystals--Structure--Computer simulation. , Interfaces (Physical sciences)--Computer simulation.
- ISBN： 9780124201439 (electronic bk.) 、 9780124201439
- URL：
電子書
- 書目註：Includes bibliographical references.
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讀者標籤：
- 系統號： 005212455 | 機讀編目格式
館藏資訊
Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book.
內容註
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.