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Introduction to computational materials science : fundamentals to applications /
"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 backgrou...
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| Định dạng: | Printed Book |
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| Truy cập trực tuyến: | http://assets.cambridge.org/97805218/45878/cover/9780521845878.jpg |
Mục lục:
- 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.