Seunghwa Ryu and Wei Cai 2008 Modelling Simul. Mater. Sci. Eng. 16 085005 doi:10.1088/0965-0393/16/8/085005
Seunghwa Ryu1 and Wei Cai2
Show affiliationsWe report melting points and other thermal properties of several semiconducting and metallic elements as they are modeled by different empirical interatomic potential models, including the Stillinger–Weber, the embedded-atom method, the Finnis–Sinclair and the modified-embedded-atom method. The state-of-the-art free energy methods are used to determine the melting points of these models within a very small error bar, so that they can be cross-compared with each other. The comparison reveals several systematic trends among elements with the same crystal structure. It identifies areas that require caution in the application of these models and suggests directions for their future improvement.
65.40.G- Other thermodynamical quantities
Issue 8 (December 2008)
Received 29 May 2008, in final form 12 August 2008
Published 1 October 2008
Seunghwa Ryu and Wei Cai 2008 Modelling Simul. Mater. Sci. Eng. 16 085005
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