| Titre : |
Introduction to Computational Nanomechanics : Multiscale and Statistical Simulations |
| Type de document : |
texte imprimé |
| Auteurs : |
Shaofan Li, Auteur ; Jun Li, Auteur |
| Editeur : |
Cambridge : Cambridge University Press |
| Année de publication : |
2022 |
| Importance : |
X-572 P. |
| Présentation : |
Relie, couv. ill en coul., graph, ill. |
| Format : |
24 cm |
| ISBN/ISSN/EAN : |
978-1-107-01115-1 |
| Langues : |
Anglais (eng) |
| Catégories : |
(36.00) Agregats et systemes etendus
|
| Mots-clés : |
Molecular dynamics Computational techniques Statistical mechanics |
| Index. décimale : |
36.00 |
| Résumé : |
1 A Short Primer on Quantum Mechanics. - 2 Density Functional Theory. - 3 Quantum Stress. - 4 Introduction to VASP. - 5 Fundamentals of statistical mecchanics. - 6 Fundamentals of molecular dynamics. - 7 Molecular dynamics to 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 dynamics. - 13 Nonequilibrium molecular dynamics. - 14 Virial theorem and virial stress. - 15 Cauchy-born rule and multiscale methods. - 16 Statistical theory of cauchy continuum. -17 - Multiscale Method (I): Multiscale Micromorphic Molecular Dynamics. - 18 Multiscale Methods (II): Multiscale Finite Element Methods |
