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Comparison of simulations of liquid metals by classical and ab initio molecular dynamics

✍ Scribed by Yu. Mitrokhin


Book ID
116374533
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
118 KB
Volume
36
Category
Article
ISSN
0927-0256

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Ab initio molecular-dynamics simulation
✍ X.F. Zhu; L.F. Chen πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 462 KB

Ab initio molecular-dynamics simulations have been used to investigate the structure and dynamics properties of the liquid As x Se 1Γ€x at four compositions x ΒΌ 0:2, 0.4, 0.5, and 0.6. We present results for the static structure factors, frequency spectra, and the electronic density of states. The re