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Author Ovrutsky, A. M., author.

Title Computational Materials Science : Surfaces, Interfaces, Crystallization / A.M. Ovrutsky, A.S. Prokhoda, M.S. Rasshchupkyna.

Publication Info. Boston : Elsevier, 2014.

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Location Call No. OPAC Message Status
 Axe Elsevier ScienceDirect Ebook  Electronic Book    ---  Available
Description 1 online resource (389 pages)
text txt rdacontent
computer c rdamedia
online resource cr rdacarrier
Series Elsevier insights
Elsevier insights.
Note Print version record.
Summary 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. Valuable reference book, but also helpful as a supplement to coursesComputer programs available to supplement examplesPresents several new methods of computational materials science and clearly summarizes previous methods and results.
Bibliography Includes bibliographical references.
Contents 1. Computer modeling of physical phenomena and processes -- 2. Basic concepts of theory of phase transformations -- 3. Diffusion problems of crystal growth : methods of numerical solutions -- 4. Structure of the boundary surfaces -- 5. Adsorption : the Gibbs adsorption equation -- 6. Simulation techniques for atomic systems -- 7. The surface processes during crystallization -- 8. Modern simulations by the molecular dynamics method -- 9. Computational experiments in materials science.
Subject Crystallization -- Computer simulation.
Crystals -- Structure -- Computer simulation.
Interfaces (Physical sciences) -- Computer simulation.
Cristallisation -- Simulation par ordinateur.
Cristaux -- Structure -- Simulation par ordinateur.
Interfaces (Sciences physiques) -- Simulation par ordinateur.
SCIENCE -- Physics -- Crystallography.
Crystallization -- Computer simulation
Interfaces (Physical sciences) -- Computer simulation
Added Author Prokhoda, A. S., author.
Rasshchupkyna, M. S., author.
Other Form: Print version: Ovrutsky, A.M. Computational materials science 9780124201439 (OCoLC)859180993
ISBN 9780124202078 (electronic bk.)
0124202071 (electronic bk.)
9780124201439
0124201431
Standard No. AU@ 000054755333
DEBBG BV042316831
DEBSZ 405352263
NLGGC 370462203
NZ1 15342353

 
    
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