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Ab-initio molecular dynamics simulations of the structure of liquid aluminates

✍ Scribed by V. Cristiglio; L. Hennet; G.J. Cuello; M.R. Johnson; A. Fernández-Martínez; H.E. Fischer; I. Pozdnyakova; D. Zanghi; S. Brassamin; J.-F. Brun; D.L. Price


Book ID
116670196
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
361 KB
Volume
353
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