Chapter 11. Thermodynamics and Materials Modelling

  1. Svein Stølen2 and
  2. Tor Grande3
  1. Neil L. Allan

Published Online: 8 JUL 2004

DOI: 10.1002/0470092688.ch11

Chemical Thermodynamics of Materials: Macroscopic and Microscopic Aspects

Chemical Thermodynamics of Materials: Macroscopic and Microscopic Aspects

How to Cite

Stølen, S. and Grande, T. (2003) Thermodynamics and Materials Modelling, in Chemical Thermodynamics of Materials: Macroscopic and Microscopic Aspects, John Wiley & Sons, Ltd, Chichester, UK. doi: 10.1002/0470092688.ch11

Author Information

  1. 2

    Department of Chemistry, University of Oslo, Norway

  2. 3

    Department of Materials Technology, Norwegian University of Science and Technology, Norway

Author Information

  1. School of Chemistry, Bristol University, UK

Publication History

  1. Published Online: 8 JUL 2004
  2. Published Print: 16 DEC 2003

ISBN Information

Print ISBN: 9780471492306

Online ISBN: 9780470092682

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Summary

This chapter contains sections titled:

  • Interatomic Potentials and Energy Minimization

  • Monte Carlo and Molecular Dynamics

  • Quantum Mechanical Methods

  • Applications of Quantum Mechanical Methods

  • Discussion

  • References

  • Further Reading