Tetrahedrality Dictates Dynamics in Hard Sphere Mixtures

Susana Marín-Aguilar, Henricus H. Wensink, Giuseppe Foffi, and Frank Smallenburg
Phys. Rev. Lett. 124, 208005 – Published 22 May 2020
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Abstract

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.

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  • Received 9 December 2019
  • Accepted 1 May 2020

DOI:https://doi.org/10.1103/PhysRevLett.124.208005

© 2020 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & ThermodynamicsPolymers & Soft Matter

Authors & Affiliations

Susana Marín-Aguilar, Henricus H. Wensink, Giuseppe Foffi*, and Frank Smallenburg

  • Université Paris-Saclay, CNRS, Laboratoire de Physique des Solides, 91405 Orsay, France

  • *giuseppe.foffi@u-psud.fr
  • frank.smallenburg@u-psud.fr

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Issue

Vol. 124, Iss. 20 — 22 May 2020

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