Parrinello-Rahman barostat

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Parrinello-Rahman barostat [1] [2]. [3].

Monte Carlo implementation

[4] [5]

References

  1. ↑ M. Parrinello and A. Rahman "Crystal Structure and Pair Potentials: A Molecular-Dynamics Study", Physical Review Letters 45 pp. 1196-1199 (1980)
  2. ↑ M. Parrinello and A. Rahman "Polymorphic transitions in single crystals: A new molecular dynamics method", Journal of Applied Physics 52 pp. 7182- (1981)
  3. ↑ M. Parrinello and A. Rahman "Strain fluctuations and elastic constants", Journal of Chemical Physics 76 pp. 2662- (1982)
  4. ↑ Reza Najafabadi and Sidney Yip "Observation of finite-temperature bain transformation (f.c.c. → b.c.c.) in Monte Carlo simulation of iron", Scripta Metallurgica 17 pp. 1199-1204 (1983)
  5. ↑ S. Yashonath and C. N. R. Rao "A Monte Carlo study of crystal structure transformations", Molecular Physics 54 pp. 245-251 (1985)
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