Fachbereich Physik, Universität Konstanz, 78457 Konstanz, Germany.
J Chem Phys. 2013 Mar 28;138(12):12A513. doi: 10.1063/1.4770336.
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.
我们使用分子动力学模拟和玻璃化转变的模式耦合理论（MCT）的示意图模型研究了在剪切流反向下形成玻璃的二元混合物的非线性流变学。记忆效应导致了与历史相关的响应，例如在剪切液体的应力-应变曲线上应力过冲现象的消失，以及在零应力状态附近表观弹性系数的变化。我们在 MCT 中示意性地研究了在给定时间下对应力响应的各种延迟贡献。使用分子动力学模拟证明了这种宏观响应与单粒子运动的联系。
