Anomalous supercooled liquid structure of Ga on β-relaxation dynamics

H. C. Chen, S. K. Lai

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Abstract

We study the β-relaxation dynamics for liquid metal gallium using computer-simulated liquid structures in conjunction with idealized mode-coupling theory. At the dynamical transition point, our calculated mode-coupling parameter λ is numerically more consistent with the increasing trend of the magnitude of the experimentally fitted λ [Formula Presented] observed in several glass-forming materials. The implication is that the empirically fitted λ inherently must contain contributions arising from other subtle mechanisms to the β-relaxation dynamics in addition to the usual cage-diffused mechanism. Of particular interest in our calculations is the behavior of the tagged particle distribution function, which shows a distinct double-peaked structure and, within the β-relaxation time regime, exhibits a much slower retarded motion compared with other simple monatomic systems. This curious behavior is interpreted here as due to the influences of temporally fluctuating atomic bonded-pair clusters that have been observed recently in molecular dynamics simulations.

Original languageEnglish
Pages (from-to)4381-4385
Number of pages5
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume56
Issue number4
DOIs
StatePublished - 1997

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