Molecular dynamics simulations of the te
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Howard E. Alper; Peter Politzer
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Article
📅
2000
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John Wiley and Sons
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English
⚖ 295 KB
👁 3 views
We have investigated a molecular dynamics procedure for simulating the temperature-dependent behavior of three face-centered-cubic metals: aluminum, copper, and platinum. A potential due to Cai and Ye, which includes both pairwise additive and multibody terms, was used in conjunction with the CHARMM