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Uncovering the mechanism of dynamics in metallic glass-forming liquids based on local symmetry entropy

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Molecular dynamics simulations were performed to investigate the relationship of structure-dynamics in metallic glass-forming liquids. Fundamentally, it is found the degree of local symmetry plays an important role in the… Click to show full abstract

Molecular dynamics simulations were performed to investigate the relationship of structure-dynamics in metallic glass-forming liquids. Fundamentally, it is found the degree of local symmetry plays an important role in the dynamics of glass-forming liquids. The local symmetry entropy is proposed and used for quantifying the degree of local symmetry. Local symmetry entropy is related to the rearrangements of a cage and translational diffusion. Particularly, the diffusion coefficient of metallic glass-forming liquids can be described by a local symmetry entropy scaling. Further exploration shows local symmetry entropy has a well linear correlation with two-pair entropy, suggesting that the decrease of symmetry entropy can contribute to the decrease of thermodynamic entropy in undercooled liquids in the cooling process.

Keywords: symmetry entropy; local symmetry; symmetry; glass forming; forming liquids

Journal Title: Modelling and Simulation in Materials Science and Engineering
Year Published: 2021

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