Shaofan Li, Jun Li

Introduction to Computational Nanomechanics (eBook, PDF)

Multiscale and Statistical Simulations

• Format: PDF

Produktbeschreibung

A guide to computational nanomechanics, essential for those new to the subject and a useful reference for graduates and researchers.

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Produktdetails

• Verlag: Cambridge University Press
• Erscheinungstermin: 8. Dezember 2022
• Englisch
• ISBN-13: 9781009301787
• Artikelnr.: 70910503

Autorenporträt

Shaofan Li is a full professor of computational science at the University of California, Berkeley. Dr. Li has been conducting research in atomistic and multiscale simulations since 2000, publishing more than 200 technical articles in peer-reviewed journals.

Inhaltsangabe

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.