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- W3204753624 abstract "Homogeneous crystal nucleation is prone to formation of defects and often experiences heterogeneities, the inferences of which are crucial in processing crystalline materials and controlling their physical properties. It has been debated in literature whether the associated heterogeneities are an integral part of the homogenous nucleation. In this study by integrating a probabilistic approach with large-scale molecular dynamics simulations based on the most advanced high-temperature interatomic potentials, we attempt to address the ambiguity over the sources and mechanisms of heterogeneities in homogenous nucleation during solidification of pure melts. Different classes of structured metals are investigated for this purpose, including face-centered cubic aluminum, body-centered cubic iron, and hexagonal close-packed magnesium. The results reveal, regardless of the element type or the solidified crystal structure, that the densification process of liquid metals is accompanied by short-range orderings of atoms prior to the formation of crystals, controlling the heterogeneities during homogenous nucleation." @default.
- W3204753624 created "2021-10-11" @default.
- W3204753624 creator A5002902790 @default.
- W3204753624 creator A5006672117 @default.
- W3204753624 creator A5023258012 @default.
- W3204753624 date "2022-04-01" @default.
- W3204753624 modified "2023-10-16" @default.
- W3204753624 title "Liquid ordering induced heterogeneities in homogeneous nucleation during solidification of pure metals" @default.
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- W3204753624 doi "https://doi.org/10.1016/j.jmst.2021.08.008" @default.
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