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Publication - Professor Tanniemola Liverpool

    Yielding of a model glassformer

    an interpretation with an effective system of icosahedra

    Citation

    Pinney, R, Liverpool, T & Royall, C, 2018, ‘Yielding of a model glassformer: an interpretation with an effective system of icosahedra’. Physical Review E.

    Abstract

    We consider the yielding under simple shear of a binary Lennard-Jones glassformer whose superArrhenius dynamics are correlated with the formation of icosahedral structures. We recast this glassformer 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 localisation behavior particularly at temperatures below the glass transition as defined with a fit to the Vogel-Fulcher-Tamman equation. At higher temperature, shear localisation starts immediately upon shearing for all shear rates. At lower temperatures, faster shear rates can result in a delayed start in shear localisation; 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 (2016)], we interpret the response to shear and the shear localisation in terms of a local effective temperature with our system of icosahedra. We find that the effective temperatures of the regions undergoing shear localisation increase significantly with increasing strain (before reaching a steady state plateau).

    Full details in the University publications repository