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Ab initio molecular dynamics simulation of laser melting of graphite

✍ Scribed by Silvestrelli, Pier Luigi; Parrinello, Michele


Book ID
120209508
Publisher
American Institute of Physics
Year
1998
Tongue
English
Weight
403 KB
Volume
83
Category
Article
ISSN
0021-8979

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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