Seunghwa Ryu et al 2009 Modelling Simul. Mater. Sci. Eng. 17 075008 doi:10.1088/0965-0393/17/7/075008
Improved modified embedded-atom method potentials for gold and silicon
Seunghwa Ryu1, Christopher R Weinberger2, Michael I Baskes3 and Wei Cai2
Show affiliationsThe modified embedded-atom method interatomic potentials for pure gold and pure silicon are improved in their melting point and latent heat predictions, by modifying the multi-body screening function and the equation of state function. The fitting of the new parameters requires rapid calculations of melting point and latent heat, which are enabled by efficient free-energy methods. The results provide the basis for constructing a cross-potential that will be fitted to the binary gold–silicon phase diagram.
- PACS
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64.70.D- Solid–liquid transitions
- Subjects
- Dates
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Issue 7 (October 2009)
Received 11 February 2009, in final form 12 June 2009
Published 14 August 2009
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Improved modified embedded-atom method potentials for gold and silicon
Seunghwa Ryu et al 2009 Modelling Simul. Mater. Sci. Eng. 17 075008
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