Introduction to Computational Nanomechanics: Multiscale and Statistical Simulations
Autor Shaofan Li, Jun Lien Limba Engleză Hardback – 7 dec 2022
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Specificații
ISBN-13: 9781107011151
ISBN-10: 1107011159
Pagini: 582
Dimensiuni: 175 x 251 x 29 mm
Greutate: 1.25 kg
Editura: Cambridge University Press
Colecția Cambridge University Press
Locul publicării:New York, United States
ISBN-10: 1107011159
Pagini: 582
Dimensiuni: 175 x 251 x 29 mm
Greutate: 1.25 kg
Editura: Cambridge University Press
Colecția Cambridge University Press
Locul publicării:New York, United States
Cuprins
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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Descriere
A guide to computational nanomechanics, essential for those new to the subject and a useful reference for graduates and researchers.