Introduction to computational materials science :
LeSar, R. 1953-
Introduction to computational materials science : fundamentals to applications / Richard LeSar - New Delhi : Cambridge University Press, c2013 - xiii, 414 pages : illustrations ; 26 cm
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.
9781316614877
2012050474
Materials science--Data processing.
Materials science--Simulation methods.
TECHNOLOGY & ENGINEERING / Material Science.
TA404.23 / .L47 2013
620.1/10285
Introduction to computational materials science : fundamentals to applications / Richard LeSar - New Delhi : Cambridge University Press, c2013 - xiii, 414 pages : illustrations ; 26 cm
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.
9781316614877
2012050474
Materials science--Data processing.
Materials science--Simulation methods.
TECHNOLOGY & ENGINEERING / Material Science.
TA404.23 / .L47 2013
620.1/10285