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- W2077291038 abstract "The atomic structure and diffusion at the solid–liquid interface between two different species are investigated using molecular dynamics. Special attention is paid to the effect of the difference in atomic size between the solid and the liquid. The interface is modelled by a crystal with the (100) termination in contact with the liquid, both consisting of Lennard–Jones particles differing in atomic size and melting point. We find that, at the interface, the liquid is layered whatever the ratio of particle sizes ( ). When , particular behaviour in the density profile is observed. Additionally, an epitaxial relationship is found between the crystal and the interfacial liquid layer when . When this ratio is smaller than 0.8, the structure of the interfacial liquid layer is completely disordered. Diffusivity inside the interfacial layer is also shown to be strongly dependent on the ratio ." @default.
- W2077291038 created "2016-06-24" @default.
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- W2077291038 date "2005-10-20" @default.
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- W2077291038 title "Molecular dynamics of the asymmetric solid–liquid interface" @default.
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- W2077291038 doi "https://doi.org/10.1080/00268970500151577" @default.
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