Introduction to Computational Nanomechanics
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portes grátis
Introduction to Computational Nanomechanics
Multiscale and Statistical Simulations
Li, Shaofan; Li, Jun
Cambridge University Press
12/2022
582
Dura
Inglês
9781107011151
15 a 20 dias
1240
Descrição não disponível.
Preface; ParT I. FIRST PRINCIPLE CALCULATIONS: 1. A short primer on quantum mechanics; 2. Density functional theory; 3. Quantum stress; 4. An introduction to VSAP; PART II. STATISTICAL MOLECULAR DYNAMICS: 5. Fundamentals of statistical mechanics; 6. Fundamentals of molecular dynamics; 7. Molecular dynamics time integration techniques; 8. Temperature control in MD simulations; 9. Andersen-Parrinello-Rahman molecular dynamics; 10. Introduction to LAMMPS; 11. Monte carlo methods; 12. Langevin equations and dissipative particle; 13. Non-equilibrium molecular dynamics; Part III. MULTISCALE MODELING AND SIMULATION: 14. Virial theoreum and virial stress; 15. Cauchy-born rile and multiscale methods; 16. Statistical theory of cauchy continuum; 17. Multiscale method (I): multiscale micromorhpic molecular dynamics; 18. Multiscale methods (II) multiscale finite element methods; Appendix A; Bibliography; Author index, Subject index.
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Preface; ParT I. FIRST PRINCIPLE CALCULATIONS: 1. A short primer on quantum mechanics; 2. Density functional theory; 3. Quantum stress; 4. An introduction to VSAP; PART II. STATISTICAL MOLECULAR DYNAMICS: 5. Fundamentals of statistical mechanics; 6. Fundamentals of molecular dynamics; 7. Molecular dynamics time integration techniques; 8. Temperature control in MD simulations; 9. Andersen-Parrinello-Rahman molecular dynamics; 10. Introduction to LAMMPS; 11. Monte carlo methods; 12. Langevin equations and dissipative particle; 13. Non-equilibrium molecular dynamics; Part III. MULTISCALE MODELING AND SIMULATION: 14. Virial theoreum and virial stress; 15. Cauchy-born rile and multiscale methods; 16. Statistical theory of cauchy continuum; 17. Multiscale method (I): multiscale micromorhpic molecular dynamics; 18. Multiscale methods (II) multiscale finite element methods; Appendix A; Bibliography; Author index, Subject index.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
