Introduction to Computational Nanomechanics: Multiscale and Statistical Simulations 1st Edition by Shaofan Li 9781009301787 1009301780

Introduction to Computational Nanomechanics: Multiscale and Statistical Simulations 1st Edition Shaofan Li – Ebook Instant Download/Delivery ISBN(s): 9781107011151, 9781009301787, 1107011159, 1009301780

Product details:

• ISBN 10: 1009301780
• ISBN 13: 9781009301787
• Author: Shaofan Li; Jun Li

An original comprehensive guide on computational nanomechanics discussing basic concepts and implications in areas such as computational physics, materials, mechanics and engineering as well as several other interdisciplinary avenues. This book makes the underlying theory accessible to readers without specialised training or extensive background in quantum physics, statistical mechanics, or theoretical chemistry. It combines a careful treatment of theoretical concepts with a detailed tutorial on computer software and computing implementation, including multiscale simulation and computational statistical theory. Multidisciplinary perspectives are provided, yielding a true insight on the applications of computational nanomechanics across diverse engineering fields. The book can serve as a practical guide with step-by-step discussion of coding, example problems and case studies. This book will be essential reading for students new to the subject, as well as an excellent reference for graduates and researchers.

Table contents:

Part I First-Principles Calculations

1 A Short Primer on Quantum Mechanics

2 Density Functional Theory

3 Quantum Stress

4 Introduction to VASP

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 Dynamics

13 Nonequilibrium Molecular Dynamics

Part III Multiscale Modeling and Simulation

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

People also search:

introduction of computational chemistry

introduction to computational theory

introduction to computational methods

introduction to computational neuroscience

introduction to computational science