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Lennard-Jones 二元混合物的模式耦合行为:本体相和受限相的比较

Mode coupling behavior of a Lennard-Jones binary mixture: a comparison between bulk and confined phases.

作者信息

Attili A, Gallo P, Rovere M

机构信息

Dipartimento di Fisica, Università Roma Tre, and Democritos National Simulation Center, Via della Vasca Navale 84, 00146 Roma, Italy.

出版信息

J Chem Phys. 2005 Nov 1;123(17):174510. doi: 10.1063/1.2102869.

Abstract

We present a quantitative comparison at equivalent thermodynamical conditions of bulk and confined dynamical properties of a Lennard-Jones binary mixture upon supercooling. Both systems had been previously found to display a behavior in agreement with the mode coupling theory of the evolution of glassy dynamics. Differences and analogies of behavior are discussed focusing, in particular, on the role of hopping in reducing spatially correlated dynamics in the confined system with respect to the bulk.

摘要

我们展示了在等效热力学条件下,对超冷时 Lennard-Jones 二元混合物的体相和受限动力学性质进行的定量比较。先前已发现这两种系统均表现出与玻璃态动力学演化的模式耦合理论相一致的行为。我们讨论了行为上的差异和相似之处,尤其关注在受限系统中,相对于体相而言,跳跃在减少空间相关动力学方面所起的作用。

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