Atomic structure, diffusivity and viscosity of Al1-xMgx melts from ab initio molecular dynamics simulations

Atomic structure, diffusivity and viscosity of Al1-xMgx melts from ab initio molecular dynamics simulations

Atomic structure, diffusivity and viscosity of Al1-xMgx (x=0, 0.0039, 0.1172, 0.9180, 0.9961, 1)melts at 875, 1000, 1125, and 1250K were investigated by the ab initio molecular dynamics (AIMD) simulations. The simulated results are compared with available experimental and calculated data in the lite...

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Bibliographic Details
Main Authors: Gao Q.-N., Wang J., Du Y., Shang S.-L., Liu Z.-K., Liu Y.-J.
Format: Article
Language:English
Published: Technical Faculty, Bor 2021-01-01
Series:Journal of Mining and Metallurgy. Section B: Metallurgy
Subjects:
al1-xmgxmelt
aimd
diffusivity
viscosity
Online Access:http://www.doiserbia.nb.rs/img/doi/1450-5339/2021/1450-53392000037G.pdf

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http://www.doiserbia.nb.rs/img/doi/1450-5339/2021/1450-53392000037G.pdf

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