Nonergodicity parameters of confined hard-sphere glasses.
Nonergodicity parameters of confined hard-sphere glasses.
复制标题
受限硬球玻璃的非遍历性参数。
作者：
S. Mandal;S. Lang;V. Boţan;T. Franosch
在最近开发的模式耦合理论的流体局限于一个狭缝，我们阐述了适当的广义中间散射函数的长时间限制的数值结果。该理论需要作为输入的密度分布垂直于板，我们从密度泛函理论的基本措施框架内，以及适应的静态结构因素，这可以计算依赖于非均匀的打击Yevick关闭。我们的集体以及自我运动的非遍历性参数的计算与我们广泛的事件驱动的分子动力学模拟的中间散射函数稍多分散硬球系统在高包装分数定性协议。我们发现，作为波数的函数的非遍历性参数的变化与面内静态结构因子相关，而微妙的影响变得明显的结构因子和弛豫时间较高的模式指数。提出了一种从平面内静态结构的变化预测多重再入的判据。
Within a recently developed mode-coupling theory for fluids confined to a slit we elaborate numerical results for the long-time limits of suitably generalized intermediate scattering functions. The theory requires as input the density profile perpendicular to the plates, which we obtain from density functional theory within the fundamental-measure framework, as well as symmetry-adapted static structure factors, which can be calculated relying on the inhomogeneous Percus-Yevick closure. Our calculations for the nonergodicity parameters for both the collective as well as for the self motion are in qualitative agreement with our extensive event-driven molecular dynamics simulations for the intermediate scattering functions for slightly polydisperse hard-sphere systems at high packing fraction. We show that the variation of the nonergodicity parameters as a function of the wavenumber correlates with the in-plane static structure factors, while subtle effects become apparent in the structure factors and relaxation times of higher mode indices. A criterion to predict the multiple reentrant from the variation of the in-plane static structure is presented.