Amokrane S, Tchangnwa Nya F, Ndjaka J M
Physique des Liquides et Milieux Complexes, Faculté des Sciences et Technologie, Université Paris-Est (Créteil), 61 Av. du Général de Gaulle, 94010, Créteil Cedex, France.
Département de Physique, Faculté des Sciences, Université de Maroua, BP 814, Maroua, Cameroon.
Eur Phys J E Soft Matter. 2017 Feb;40(2):17. doi: 10.1140/epje/i2017-11506-8. Epub 2017 Feb 17.
The dynamical arrest in classical fluids is studied using a simple modification of the mode coupling theory (MCT) aimed at correcting its overestimation of the tendency to glass formation while preserving its overall structure. As in previous attempts, the modification is based on the idea of tempering the static pair correlations used as input. It is implemented in this work by computing the static structure at a different state point than the one used to solve the MCT equation for the intermediate scattering function, using the pure hard-sphere glass for calibration. The location of the glass transition predicted from this modification is found to agree with simulations data for a variety of systems --pure fluids and mixtures with either purely repulsive interaction potentials or ones with attractive contributions. Besides improving the predictions in the long-time limit, and so reducing the non-ergodicity domain, the same modification works as well for the time-dependent correlators.
利用模式耦合理论(MCT)的一种简单修正方法研究了经典流体中的动力学阻滞现象,该修正旨在纠正其对玻璃形成趋势的高估,同时保留其整体结构。与之前的尝试一样,这种修正是基于对用作输入的静态对关联进行缓和的想法。在这项工作中,通过在与用于求解中间散射函数的MCT方程的状态点不同的另一个状态点计算静态结构来实现这一修正,并使用纯硬球玻璃进行校准。从这种修正预测的玻璃化转变位置与各种系统的模拟数据相符——纯流体以及具有纯排斥相互作用势或具有吸引作用的混合物。除了在长时间极限下改进预测结果并因此减小非遍历性区域外,同样的修正对随时间变化的关联函数也有效。