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Monte Carlo simulation of kinetically slowed down phase separation

机译:动力学减慢相分离的蒙特卡洛模拟

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Supercooled colloidal or molecular systems at low densities are known to form liquid, crystalline or glassy drops, which may remain isolated for a long time before they aggregate. This paper analyses the properties of this large time window, and how it can be tackled by computer simulation. We use single-particle and virtual move Monte Carlo simulations of short-range attractive spheres which are undercooled to the temperature region, where the spinodal intersects the attractive glass line. We study two different systems and we report the following kinetic behavior. A low-density system is shown to exhibit universal linear growth regimes under single-particle Monte Carlo correlating the growth rate to the local structure. These regimes are suppressed under collective motion, where droplets aggregate into a single large disordered domain. It is shown that the aggregation can be avoided and linear regimes recovered, if long-range repulsion is added to the short-range attraction. The results provide an insight into the behavior of the virtual move algorithm generating cluster moves according to the local forcefields. We show that different choices of maximum Monte Carlo displacement affect the dynamical trajectories but lead to the same kinetically slowed down or arrested states.
机译:已知低密度的过冷胶体或分子系统会形成液体,结晶或玻璃状液滴,这些液滴在聚集之前可能会长时间隔离。本文分析了这个大时间窗口的属性,以及如何通过计算机仿真来解决。我们使用短距离吸引球的单粒子和虚拟移动蒙特卡罗模拟,这些球被过冷至温度区域,旋节线与吸引玻璃线相交。我们研究了两个不同的系统,并报告了以下动力学行为。一个低密度系统显示出在单粒子蒙特卡洛法下具有普遍的线性增长机制,使增长速率与局部结构相关。这些机制在集体运动中被抑制,其中液滴聚集到单个大的无序域中。结果表明,如果在短距离引力上加上长距离斥力,则可以避免聚集并恢复线性状态。结果提供了对根据局部力场生成簇运动的虚拟运动算法的行为的见解。我们表明最大蒙特卡洛位移的不同选择会影响动力学轨迹,但会导致相同的动力学减慢或停止状态。

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