On the Bauschinger effect in supercooled melts under shear: results from mode coupling theory and molecular dynamics simulations

J Chem Phys. 2013 Mar 28;138(12):12A513. doi: 10.1063/1.4770336.

Abstract

We study the nonlinear rheology of a glass-forming binary mixture under the reversal of shear flow using molecular dynamics simulations and a schematic model of the mode-coupling theory of the glass transition (MCT). Memory effects lead to a history-dependent response, as exemplified by the vanishing of a stress-overshoot phenomenon in the stress-strain curves of the sheared liquid, and a change in the apparent elastic coefficients around states with zero stress. We investigate the various retarded contributions to the stress response at a given time schematically within MCT. The connection of this macroscopic response to single-particle motion is demonstrated using molecular-dynamics simulation.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Glass / chemistry
  • Molecular Dynamics Simulation*
  • Rheology