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Ab initio molecular dynamics simulations on structure change of liquid Te from normal- to supercooled-state

โœ Scribed by Zhao, G; Liu, C S; Zhu, Z G


Book ID
120238332
Publisher
Institute of Physics
Year
2008
Tongue
English
Weight
664 KB
Volume
20
Category
Article
ISSN
0953-8984

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Ab initio molecular dynamics simulations
โœ Gang Zhao; Yue Zhao; Yubing Wang; Haifeng Mu ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 1021 KB

The temperature dependence of atomic and electronic structures in liquid Se 30 Te 70 is studied using ab initio molecular dynamics simulations. Our work verifies the structural change from low-to highdensity phases observed in experiments. Moreover, we show that the structure of low-density liquid i