000 02359cam a2200313 i 4500
003 EG-NbEJU
005 20240516114103.0
008 240512t2013 enka grb 001 0 eng
010 _a2012050474
020 _a9780521845878 (hardback)
040 _aEG-NbEJU
_beng
_cEG-NbEJU
_dEG-NbEJU
041 _aeng
042 _apcc
050 0 0 _aTA404.23
_b.L47 2013
084 _aTEC021000
_2bisacsh
100 1 _aLeSar , R. ,
_q(Richard) ,
_d1953-
245 1 0 _aIntroduction to computational materials science :
_bfundamentals to applications /
_c[by] : Richard Lesar , Iowa State University
260 _aCambridge ;
_aNew York :
_bCambridge University Press ;
_bMaterials Research Society ,
_c©2013
300 _axiii , 414 pages :
_billustrations ;
_c26 cm
504 _aIncludes bibliographical references (pages 392-408) and index
505 0 _a1. Materials modelling and simulation -- Part I. Some Basics: 2. The random walk model -- 3. Simulation of finite systems -- Part II. Atoms and Molecules: 4. Electronic structure methods -- 5. Interatomic potentials -- 6. Molecular dynamics -- 7. The Monte Carlo method -- 8. Molecular and macromolecular systems -- Part III. Mesoscopic Methods -- 9. Kinetic Monte Carlo -- 10. Monte Carlo methods at the mesoscale -- 11. Cellular automata -- 12. Phase-field methods -- 13. Mesoscale dynamics -- Part IV. Some Final Words -- 14. Materials selection and design -- Part V. Appendices: A. Energy units -- B. Introduction to materials -- C. Mathematical background -- D. Classical mechanics -- E. Electrostatics -- F. Quantum mechanics -- G. Statistical thermodynamics and kinetics -- H. Linear elasticity -- I. Introduction to computation.
520 _a"Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package.
650 0 _aMaterials science
_xData processing
_2LCSH
650 0 _aMaterials science
_xSimulation methods
_2LCSH
650 7 _aTECHNOLOGY & ENGINEERING / Material Science.
_2bisacsh
901 _asara sorur
902 _aENG_03_(1390)
942 _2lcc
_cBK
999 _c3965
_d3965