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Mobile particles in an immobile environment: Molecular Dynamics simulation of a binary Yukawa mixture

机译:移动颗粒在不动的环境中:分子动力学   模拟二元Yukawa混合物

摘要

Molecular dynamics computer simulations are used to investigate thedynamicsof a binary mixture of charged (Yukawa) particles with a size-ratio of 1:5. Wefind that the system undergoes a phase transition where the large particlescrystallize while the small particles remain in a fluid-like (delocalized)phase. Upon decreasing temperature below the transition, the small particlesbecome increasingly localized on intermediate time scales. This is reflected inthe incoherent intermediate scattering functions by the appearance of a plateauwith a growing height. At long times, the small particles show a diffusivehopping motion. We find that these transport properties are related tostructural correlations and the single-particle potential energy distributionof the small particles.
机译:分子动力学计算机模拟用于研究带电(汤川)颗粒的二元混合物的动力学,其大小比为1:5。我们确定该系统经历了一个相变,其中大颗粒结晶,而小颗粒则保持流体状(离域)相。在将温度降低到转变以下时,小颗粒逐渐在中间时间尺度上定位。高原的出现随着高度的增加而反映在不相干的中间散射功能中。长时间以来,小颗粒显示出扩散跳跃运动。我们发现这些传输性质与结构相关性和小颗粒的单颗粒势能分布有关。

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