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Structural, bonding, and dynamical properties of liquid Fe-Si alloys: An ab initio molecular-dynamics simulation

✍ Scribed by Gu, Tingkun; Qin, Jingyu; Xu, Changye; Bian, Xiufang


Book ID
120229142
Publisher
The American Physical Society
Year
2004
Tongue
English
Weight
105 KB
Volume
70
Category
Article
ISSN
1098-0121

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Ab initio molecular-dynamics simulation
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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