fundamentals to applications LeSar, R. (Richard) 1953- creator text New Delhi Cambridge University Press c2013 monographic xiii, 414 pages : illustrations ; 26 cm "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. 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. Richard LeSar Includes bibliographical references (pages 392-408) and index. Materials science Data processing Materials science Simulation methods TECHNOLOGY & ENGINEERING / Material Science TA404.23 .L47 2013 620.1/10285 TEC021000 9781316614877 2012050474 http://assets.cambridge.org/97805218/45878/cover/9780521845878.jpg http://assets.cambridge.org/97805218/45878/cover/9780521845878.jpg UOEL 000 20210204100231.0 17654040 eng