Factors correlating to enhanced surface diffusion in metallic glasses

نویسندگان

چکیده

The enhancement of surface diffusion (DS) over the bulk (DV) in metallic glasses (MGs) is well documented and likely to strongly influence properties grown by vapor deposition. Here, we use classical molecular dynamics (MD) simulations identify different factors influencing MGs. MGs have a simple atomic structure belong category moderately fragile that undergo pronounced slowdown with cooling close glass transition temperature (Tg). We observe DS exhibits much more moderate compared DV when approaching Tg, DS/DV at Tg varies two orders magnitude among investigated. demonstrate both energy fraction missing bonds for atoms show good correlation DS/DV, implying loss nearest neighbors directly translates into higher mobility, unlike behavior network-bonded hydrogen-bonded organic glasses. Fragility, measure also correlates systems having larger mobility. deviations observed fragility–DS/DV relationship are shown be correlated extent segregation or depletion mobile element surface. Finally, explore between pre-exponential factor (D0) activation (Q) compare it ln(D0)–Q previously established glasses, demonstrating similar correlations from MD as experiments very correlations.

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ژورنال

عنوان ژورنال: Journal of Chemical Physics

سال: 2021

ISSN: ['1520-9032', '1089-7690', '0021-9606']

DOI: https://doi.org/10.1063/5.0039078