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具有密度异常的液体中的动力学和瞬时简正模式。

Dynamics and instantaneous normal modes in a liquid with density anomalies.

作者信息

Ciamarra M P, Sollich P

机构信息

Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, 50 Nanyang Ave, 639798, Singapore. Dipartimento di Scienze Fisiche, CNR-SPIN, Università di Napoli Federico II, I-80126 Napoli, Italy.

出版信息

J Phys Condens Matter. 2015 May 20;27(19):194128. doi: 10.1088/0953-8984/27/19/194128. Epub 2015 Apr 29.

Abstract

We investigate the relation between the dynamical features of a supercooled liquid and those of its potential energy landscape, focusing on a model liquid with density anomalies. We consider, at fixed temperature, pairs of state points with different density but the same diffusion constant and find that surprisingly they have identical dynamical features at all length and time scales. This is shown by the collapse of their mean square displacements and of their self-intermediate scattering functions at different wavevectors. We then investigate how the features of the energy landscape change with density and establish that state points with equal diffusion constant have different landscapes. In particular, we find a correlation between the fraction of instantaneous normal modes connecting different energy minima and the diffusion constant, but unlike in other systems these two quantities are not in one-to-one correspondence with each other, showing that additional landscape features must be relevant in determining the diffusion constant.

摘要

我们研究了过冷液体的动力学特征与其势能面的动力学特征之间的关系,重点关注具有密度异常的模型液体。在固定温度下,我们考虑具有不同密度但相同扩散常数的状态点对,结果令人惊讶地发现,它们在所有长度和时间尺度上都具有相同的动力学特征。这通过它们在不同波矢处的均方位移和自中间散射函数的重合得到证明。然后,我们研究了能量面的特征如何随密度变化,并确定具有相等扩散常数的状态点具有不同的能量面。特别是,我们发现连接不同能量极小值的瞬时简正模式的分数与扩散常数之间存在相关性,但与其他系统不同的是,这两个量并非一一对应,这表明在确定扩散常数时,能量面的其他特征也一定是相关的。

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