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Yielding of a model glass former: An interpretation with an effective system of icosahedra

Rhiannon Pinney1,2, Tanniemola B. Liverpool3,4, and C. Patrick Royall1,5,6,*

  • 1HH Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL, United Kingdom
  • 2Bristol Centre for Complexity Science, University of Bristol, Bristol BS8 1TS, United Kingdom
  • 3School of Mathematics, University of Bristol, Bristol BS8 1TW, United Kingdom
  • 4BrisSynBio, Tyndall Avenue, Bristol BS8 1TQ, United Kingdom
  • 5School of Chemistry, University of Bristol, Cantock Close, Bristol BS8 1TS, United Kingdom
  • 6Centre for Nanoscience and Quantum Information, Tyndall Avenue, Bristol BS8 1FD, United Kingdom

  • *paddy.royall@bristol.ac.uk
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Phys. Rev. E 97, 032609 – Published 28 March, 2018

DOI: https://doi.org/10.1103/PhysRevE.97.032609

Abstract

We consider the yielding under simple shear of a binary Lennard-Jones glass former whose super-Arrhenius dynamics are correlated with the formation of icosahedral structures. We recast this glass former as an effective system of icosahedra [Pinney et al., J. Chem. Phys. 143, 244507 (2015)]. Looking at the small-strain region of sheared simulations, we observe that shear rates affect the shear localization behavior particularly at temperatures below the glass transition as defined with a fit to the Vogel-Fulcher-Tamman equation. At higher temperature, shear localization starts immediately on shearing for all shear rates. At lower temperatures, faster shear rates can result in a delayed start in shear localization, which begins close to the yield stress. Building from a previous work which considered steady-state shear [Pinney et al., J. Chem. Phys. 143, 244507 (2015)], we interpret the response to shear and the shear localization in terms of a local effective temperature with our system of icosahedra. We find that the effective temperatures of the regions undergoing shear localization increase significantly with increasing strain (before reaching a steady-state plateau).

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Phys. Rev. E 97, 032609– Published 28 March, 2018
  • Received 16 October 2017
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