Direct calculation of incoherent phase diagrams by Monte Carlo simulation
作者:
W.A. Oates,
S.H. Lim,
G.E. Murch,
期刊:
Philosophical Magazine Letters
(Taylor Available online 1988)
卷期:
Volume 57,
issue 1
页码: 11-16
ISSN:0950-0839
年代: 1988
DOI:10.1080/09500838808227791
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
A new Monte Carlo method which permits the direct calculation of incoherent phase diagrams is presented. The method involves maintaining each lattice quite separately during the calculation and determining the phase boundaries by equating both the chemical potential and the pressure between phases. The results of several calculations are presented as examples. This new simulation procedure may be applied to any type of incoherent phase diagram without the complication of metastability.
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