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arXiv 0907.1856cond-mat.stat-mech
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用分子动力学创造液体中反常自扩散的条件

Creating conditions of anomalous self-diffusion in a liquid with molecular dynamics

Simon Standaert, Jan Ryckebusch, Lesley De Cruz

摘要:

我们提出了一种计算方法来模拟在一个简单的液体反常自扩散。该方法是基于一个分子动力学模拟上,我们施加以下两个条件:首先,粒子间的相互作用是由一个软核势描述,其次,该系统被迫离开平衡。后者可以通过使系统在间歇时间内经历长度尺度的变化来实现。在许多方面,我们的模拟系统具有相似之处,缓慢驱动沙堆模型显示自组织临界。我们发现非高斯单时间步长的位移分布在平衡的时间段的模拟。

英文摘要:

We propose a computational method to simulate anomalous self-diffusion in a simple liquid. The method is based on a molecular dynamics simulation on which we impose the following two conditions: firstly, the inter-particle interaction is described by a soft-core potential and secondly, the system is forced out of equilibrium. The latter can be achieved by subjecting the system to changes in the length scale at intermittent times. In many respects, our simulation system bears resemblance to slowly driven sandpile models displaying self-organised criticality. We find non-Gaussian single time step displacement distributions during the out-of-equilibrium time periods of the simulation.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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