论文标题
随机固定流体的筛选和集体效应：一个新的理论框架
Screening and collective effects in randomly pinned fluids: A new theoretical framework
论文作者
论文摘要
我们提出了一个理论框架，用于在存在随机固定颗粒的情况下进行大量各向同性硬球系统的动力学，并将该理论应用于超冷水以对其进行验证。结构放松主要由局部和非本地活化过程控制。随着固定分数的增长，局部笼子的限制变得更加强大，而放松的远距离集体方面被固定的障碍物筛选。局部和合作动作的不同反应导致对α弛豫时间如何随固定和密度变化的微妙预测。我们对用固定分子固定水的松弛时间的理论分析在定量上很好地描述了先前的模拟。另外，未施用的大量水的弛豫的热依赖性也与先前的计算和实验数据一致。
We propose a theoretical framework for the dynamics of bulk isotropic hard-sphere systems in the presence of randomly pinned particles and apply this theory to supercooled water to validate it. Structural relaxation is mainly governed by local and non-local activated process. As the pinned fraction grows, a local caging constraint becomes stronger and the long range collective aspect of relaxation is screened by immobile obstacles. Different responses of the local and cooperative motions results in subtle predictions for how the alpha relaxation time varies with pinning and density. Our theoretical analysis for the relaxation time of water with pinned molecules quantitatively well describe previous simulations. In addition, the thermal dependence of relaxation for unpinned bulk water is also consistent with prior computational and experimental data.
