从固有结构变形到弹性非均匀性
From Inherent Structures Deformation to Elastic Heterogeneities
摘要：
使用一个定义良好的软模型玻璃的分子动力学模拟的框架内，固有的结构进行了探讨，通过最近开发的变形协议，旨在捕捉动态异质性（DH），以及通过使用isoconfigurational合奏。这两种方法的比较进行提取相应的固有特征的长度尺度作为系统的温度从液体冷却到玻璃态。所获得的长度增长，并描绘了一个相同的趋势，作为系统下降出平衡，并出现收敛到特征的长度尺度，其特征的弹性不均匀性（EH）的材料在非常低的温度极限，这是深刻相关的玻璃的性能。这为DH和EH之间的关系提供了第一个证据。
英文摘要：
Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as well as by the use of the isoconfigurational ensemble. Comparisons of both methods are performed by extracting the corresponding inherent characteristic length scales as the temperature of the system is cooled down from the liquid to the glassy state. The obtained lengths grow and depict an identical trend as the system falls out-off equilibrium, and appear to converge to the characteristic length scale that characterizes the Elastic Heterogeneities (EH) of the materials in the very low temperature limit, which is deeply related to the properties of the glass. This provides a first evidence of a relationship between DH and EH.
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