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Ab initio molecular dynamics simulation of liquid Al[sub 88]Si[sub 12] alloys

✍ Scribed by Wang, Songyou; Wang, C. Z.; Chuang, Feng-Chuan; Morris, James R.; Ho, K. M.


Book ID
115469978
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
344 KB
Volume
122
Category
Article
ISSN
0021-9606

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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