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Tetrahedrality Dictates Dynamics in Hard Sphere Mixtures
Physical Review Letters ( IF 9.227 ) Pub Date : 2020-05-22 , DOI: 10.1103/physrevlett.124.208005
Susana Marín-Aguilar; Henricus H. Wensink; Giuseppe Foffi; Frank Smallenburg

The link between local structure and dynamical slowdown in glassy fluids has been the focus of intense debate for the better part of a century. Nonetheless, a simple method to predict the dynamical behavior of a fluid purely from its local structural features is still missing. Here, we demonstrate that the diffusivity of perhaps the most fundamental family of glass formers—hard sphere mixtures—can be accurately predicted based on just the packing fraction and a simple order parameter measuring the tetrahedrality of the local structure. Essentially, we show that the number of tetrahedral clusters in a hard sphere mixture is directly linked to its global diffusivity. Moreover, the same order parameter is capable of locally pinpointing particles in the system with high and low mobility. We attribute the power of the local tetrahedrality for predicting local and global dynamics to the high stability of tetrahedral clusters, the most fundamental building and densest-packing building blocks for a disordered fluid.
更新日期:2020-05-22

 

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