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从过冷液体中的笼跃运动到宏观扩散。

From cage-jump motion to macroscopic diffusion in supercooled liquids.

作者信息

Pastore Raffaele, Coniglio Antonio, Ciamarra Massimo Pica

机构信息

CNR-SPIN, Sezione di Napoli, Italy.

出版信息

Soft Matter. 2014 Aug 21;10(31):5724-8. doi: 10.1039/c4sm00739e. Epub 2014 Jun 30.

Abstract

The evaluation of the long term stability of a material requires the estimation of its long-time dynamics. For amorphous materials such as structural glasses, it has proven difficult to predict the long-time dynamics starting from static measurements. Here we consider how long one needs to monitor the dynamics of a structural glass to predict its long-time features. We present a detailed characterization of the statistical features of the single-particle intermittent motion, and show that single-particle jumps are the irreversible events leading to the relaxation of the system. This allows us to evaluate the diffusion constant on the time-scale of the jump duration, which is small and temperature independent, i.e. well before the system enters the diffusive regime. The prediction is obtained by analyzing the particle trajectories via a parameter-free algorithm.

摘要

对一种材料的长期稳定性进行评估需要估计其长时间的动力学特性。对于诸如结构玻璃之类的非晶态材料,已证明从静态测量开始预测其长时间动力学特性是困难的。在此,我们考虑需要监测结构玻璃的动力学特性多长时间才能预测其长时间特征。我们对单粒子间歇性运动的统计特征进行了详细表征,并表明单粒子跳跃是导致系统弛豫的不可逆事件。这使我们能够在跳跃持续时间的时间尺度上评估扩散常数,该时间尺度很小且与温度无关,即在系统进入扩散区域之前很久。通过一种无参数算法分析粒子轨迹来获得预测结果。

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