Pinney Rhiannon, Liverpool Tanniemola B, Royall C Patrick
HH Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL, United Kingdom.
School of Mathematics, University of Bristol, Bristol BS8 1TW, United Kingdom.
J Chem Phys. 2016 Dec 21;145(23):234501. doi: 10.1063/1.4968555.
We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of particles organized into icosahedra under simple steady state shear. We recast this glassformer as an effective system of icosahedra [Pinney et al., J. Chem. Phys. 143, 244507 (2015)]. From the observed population of icosahedra in each steady state, we obtain an effective temperature which is linearly dependent on the shear rate in the range considered. Upon shear banding, the system separates into a region of high shear rate and a region of low shear rate. The effective temperatures obtained in each case show that the low shear regions correspond to a significantly lower temperature than the high shear regions. Taking a weighted average of the effective temperature of these regions (weight determined by region size) yields an estimate of the effective temperature which compares well with an effective temperature based on the global mesocluster population of the whole system.
我们考虑一种二元 Lennard-Jones 玻璃形成体，其超阿伦尼乌斯动力学与在简单稳态剪切下形成二十面体结构的粒子相关。我们将这种玻璃形成体重铸为一个有效的二十面体系统[Pinney 等人，《化学物理杂志》143, 244507 (2015)]。从每个稳态下观察到的二十面体数量，我们得到一个有效温度，它在所考虑的范围内与剪切速率呈线性相关。在剪切带化时，系统分离为高剪切速率区域和低剪切速率区域。在每种情况下获得的有效温度表明，低剪切区域对应的温度明显低于高剪切区域。对这些区域的有效温度进行加权平均（权重由区域大小确定），得到的有效温度估计值与基于整个系统全局中簇数量的有效温度相当。
