Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour.
Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour.
Richard LeSar is the Lynn Gleason Professor of Interdisciplinary Engineering in the Department of Materials Science and Engineering, Iowa State University, and the former Chair of the Materials Science and Engineering programme. He is highly experienced in teaching the modelling and simulation of materials at both undergraduate and graduate levels, and has made extensive use of these methods throughout his own research.
Inhaltsangabe
Part I. Some Basics: 1. Materials modelling and simulation 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.
Part I. Some Basics: 1. Materials modelling and simulation 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.
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