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Finite size effects in simulations of glass dynamics

机译:玻璃动力学模拟中的有限尺寸效应

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摘要

We present the results of a molecular dynamics computer simulation in which we investigate the dynamics of silica. By considering different system sizes, we show that in simulations of the dynamics of this strong glass former surprisingly large finite size effects are present. In particular, we demonstrate that the relaxation times of the incoherent intermediate scattering function and the time dependence of the mean squared displacement are affected by such finite size effects. By compressing the system to high densities, we transform. it to a fragile glass former and find that for that system these types of finite size effects are much weaker.
机译:我们介绍了分子动力学计算机模拟的结果,我们在其中研究了二氧化硅的动力学。通过考虑不同的系统尺寸,我们显示出在这种坚固的玻璃成型机的动力学模拟中,出人意料的是,存在有限的尺寸效应。特别是,我们证明了非相干中间散射函数的弛豫时间以及均方位移的时间依赖性受这种有限尺寸效应的影响。通过将系统压缩到高密度,我们进行了转换。到易碎的玻璃成型机上,发现对于该系统,这些类型的有限尺寸效果要弱得多。

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