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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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