02682cam a2200421 i 4500 17654040 000 20210204100231.0 000 000 000 2012050474 9781316614877 UOEL eng DLC rda pcc TA404.23 .L47 2013 620.1/10285 23 TEC021000 bisacsh LeSar, R. (Richard), 1953- Introduction to computational materials science : fundamentals to applications / Richard LeSar New Delhi : Cambridge University Press, c2013 Cambridge ; New York : Cambridge University Press, 2013. ©2013 xiii, 414 pages : illustrations ; 26 cm text rdacontent unmediated rdamedia volume rdacarrier Includes bibliographical references (pages 392-408) and index. 1. 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. "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. Materials science Data processing. Materials science Simulation methods. TECHNOLOGY & ENGINEERING / Material Science. bisacsh Cover image http://assets.cambridge.org/97805218/45878/cover/9780521845878.jpg 7 cbc orignew 1 ecip 20 y-gencatlg lcc SL2 16918 16918 0 0 lcc 0 0 UOE UOE SHO 2021-02-04 0 TA404.23 .L47 2013 20157223 2026-04-27 09:35:23 20157223 2021-02-04 SL2 0 0 lcc 0 0 UOE UOE SHO 2021-02-04 0 TA404.23 .L47 2013 20157224 2026-04-27 09:35:24 20157224 2021-02-04 SL2 0 0 lcc 0 0 UOE UOE GEN 2021-02-04 0 TA404.23 .L47 2013 20157225 2026-04-27 12:20:34 20157225 2021-02-04 LL 0 0 lcc 0 0 TC TC GEN 2021-05-19 3 TA404.23 .L47 2013 20157221 2021-10-14 00:00:00 2021-10-14 20157221 2021-05-19 LL 0 0 lcc 0 0 TC TC GEN 2021-05-19 TA404.23 .L47 2013 20157222 2021-05-19 00:00:00 20157222 2021-05-19 LL