Ab initio phase diagram and nucleation of gallium.
作者： Haiyang Niu , Luigi Bonati , Pablo M. Piaggi , Michele Parrinello
DOI: 10.1038/S41467-020-16372-9
关键词: Supercooling 、 Materials science 、 Nucleation 、 Chemical physics 、 Ab initio 、 Density functional theory 、 Gallium 、 Phase diagram 、 Electronic structure 、 Molecular dynamics
摘要: … between liquid gallium, α-Ga, β-Ga, and Ga-II is well described. The resulting phase diagram is in agreement with the experimental findings. The local structure of liquid gallium and its …
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