Parrinello-Rahman barostat: Difference between revisions
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Parrinello-Raman barostat [1] [2]
Monte Carlo implementation
References
- ↑ M. Parrinello and A. Rahman "Crystal Structure and Pair Potentials: A Molecular-Dynamics Study", Physical Review Letters 45 pp. 1196-1199 (1980)
- ↑ M. Parrinello and A. Rahman "Strain fluctuations and elastic constants", Journal of Chemical Physics 76 pp. 2662- (1982)
- ↑ 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)
- ↑ S. Yashonath and C. N. R. Rao "A Monte Carlo study of crystal structure transformations", Molecular Physics 54 pp. 245-251 (1985)