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Structure and dynamics of liquid Al1−xSix alloys by ab initio molecular dynamics simulations

✍ Scribed by Songyou Wang; C.Z. Wang; C.X. Zheng; K.M. Ho


Book ID
116671629
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
589 KB
Volume
355
Category
Article
ISSN
0022-3093

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Ab initio molecular-dynamics simulation
✍ X.F. Zhu; L.F. Chen 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 462 KB

Ab initio molecular-dynamics simulations have been used to investigate the structure and dynamics properties of the liquid As x Se 1Àx at four compositions x ¼ 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