Teomy Eial, Shokef Yair
School of Mechanical Engineering and Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 69978, Israel.
Department of Physics, Bar Ilan University, Ramat Gan 52900, Israel.
Phys Rev E. 2017 Feb;95(2-1):022124. doi: 10.1103/PhysRevE.95.022124. Epub 2017 Feb 21.
Kinetically constrained models are lattice-gas models that are used for describing glassy systems. By construction, their equilibrium state is trivial and there are no equal-time correlations between the occupancy of different sites. We drive such models out of equilibrium by connecting them to two reservoirs of different densities, and we measure the response of the system to this perturbation. We find that under the proper coarse-graining, the behavior of these models may be expressed by a nonlinear diffusion equation, with a model- and density-dependent diffusion coefficient. We find a simple approximation for the diffusion coefficient, and we show that the relatively mild discrepancy between the approximation and our numerical results arises due to non-negligible correlations that appear as the system is driven out of equilibrium, even when the density gradient is infinitesimally small. Similar correlations appear when such kinetically constrained models are driven out of equilibrium by applying a uniform external force. We suggest that these correlations are the reason for the same discrepancy between the approximate diffusion coefficient and the numerical results for a broader group of models-nongradient lattice-gas models-for which kinetically constrained models are arguably the simplest example thereof.
动力学受限模型是用于描述玻璃态系统的格气模型。从构建方式来看,它们的平衡态很简单,不同格点占据情况之间不存在等时关联。我们通过将这些模型连接到两个不同密度的储库使其偏离平衡态,并测量系统对这种扰动的响应。我们发现,在适当的粗粒化条件下,这些模型的行为可以用一个非线性扩散方程来表示,其扩散系数依赖于模型和密度。我们找到了扩散系数的一个简单近似,并表明即使密度梯度无限小,当系统被驱动至非平衡态时由于出现不可忽略的关联,该近似与我们的数值结果之间仍存在相对较小的差异。当通过施加均匀外力使此类动力学受限模型偏离平衡态时,也会出现类似的关联。我们认为,对于更广泛的一类模型——非梯度格气模型(动力学受限模型可以说是其中最简单的例子),这些关联就是近似扩散系数与数值结果之间出现相同差异的原因。