Publication Date:
2015-03-27
Description:
Author(s): Grégory Robert, Philippe Legrand, Philippe Arnault, Nicolas Desbiens, and Jean Clérouin We present a simple, fast, and promising method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of Lin et al [J. Chem. Phys. 119 , 11792 (2003)JCPSA610.1063/1.1624057] and its improved version given by Desjarlais [Phys. Re... [Phys. Rev. E 91, 033310] Published Thu Mar 26, 2015
Keywords:
Computational Physics
Print ISSN:
1539-3755
Electronic ISSN:
1550-2376
Topics:
Physics
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