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Principles of Statistical Physics and Numerical Modeling

Valeriy A Ryabov

Description

This unique text introduces classical statistical mechanics using molecular dynamic simulations to teach and explore the subject. Theory is presented and backed up with results and provision is made for students to develop and implement their own simulations. Although one of the main priorities of the text is the simplicity of the presentation, all the results of numerical simulations are accompanied by comprehensive theoretical treatment. Illustrated by numerous figures and animations, the book will be useful for students and professionals wishing to receive a contemporary understanding of statistical physics and use the methods in their modeling of properties of materials and biomolecular systems.

About Editors

Valeriy A Ryabov is a leading scientist in the Department of Nuclear Technology at the National Research Centre "Kurchatov Institute" in Russia, with more than 100 journal publications and several books to his name. His research interests span the physics of irradiated material, molecular dynamics, statistical physics and solid-state physics.

Table of Contents

Preface
1. Phase space
2. Evolution of phase space distribution function.
3. Equilibrium distributions.
4. Ensemble of free particles
5. Ensemble of interacting particles.
6. Temperature
7. Pressure, stress, tension
8. Entropy
9. Gibbs distribution
10. Isothermal ensemble
11. Free energy
12. Grand canonical ensemble
13 Isobaric ensembles
14. Thermodynamical potentials.
15. Finite ensembles and thermodynamics
16 Equation of state for nonideal gas.
17. Processes in ideal gas.
18. Processes in non ideal gas
19. Reaction coordinate
20. Structural phase transitions
21. Phase transitions with change of aggregate state
22. Phase transitions in Ising model
Appendix A
Appendix B

Bibliographic

Hardback ISBN: 9780750313421

Ebook ISBN: 9780750313414

DOI: 10.1088/978-0-7503-1341-4

Publisher: Institute of Physics Publishing

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