01700nam a2200241 a 4500 vtls000075605 KUKTEM 20251125095633.0 131018t2013 enka f 001 0 eng d 9780521845878 (hardback) 201410021134 saini 201310181013 ida UMP TA404.23 .L47 2013 LeSar, R. Introduction to computational materials science : fundamentals to applications / Richard LeSar Cambridge : Cambridge University Press, 2013 xiii, 414 p. : ill. ; 25 cm. Includes bibliographical references 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 Materials science Data processing Materials science Simulation methods 0 0 0 0 10000 10000 2019-09-04 296.30 0 TA404.23 .L47 2013 0000087238 2019-09-04 00:00:00 1 296.30 2019-09-04 OPEN VIRTUA40 73327 73333 VTLSSORT0080*0200*0400*0900*1000*2450*2600*3000*5040*5050*6500*6501*9992