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硬球和可压缩球体的致密流体的玻璃化转变。

Glass transition of dense fluids of hard and compressible spheres.

作者信息

Berthier Ludovic, Witten Thomas A

机构信息

Laboratoire des Colloïdes, Verres et Nanomatériaux, Université Montpellier II, 34095 Montpellier, France.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Aug;80(2 Pt 1):021502. doi: 10.1103/PhysRevE.80.021502. Epub 2009 Aug 14.

DOI:10.1103/PhysRevE.80.021502
PMID:19792128
Abstract

We use computer simulations to study the glass transition of dense fluids made of polydisperse repulsive spheres. For hard particles, we vary the volume fraction, phi , and use compressible particles to explore finite temperatures, T>0 . In the hard sphere limit, our dynamic data show evidence of an avoided mode-coupling singularity near phi(MCT) is approximately 0.592; they are consistent with a divergence of equilibrium relaxation times occurring at phi(0) is approximately 0.635, but they leave open the existence of a finite temperature singularity for compressible spheres at volume fraction phi>phi(0). Using direct measurements and a scaling procedure, we estimate the equilibrium equation of state for the hard sphere metastable fluid up to phi(0), where pressure remains finite, suggesting that phi(0) corresponds to an ideal glass transition. We use nonequilibrium protocols to explore glassy states above phi(0) and establish the existence of multiple equations of state for the unequilibrated glass of hard spheres, all diverging at different densities in the range phi in [0.642, 0.664]. Glassiness thus results in the existence of a continuum of densities where jamming transitions can occur.

摘要

我们使用计算机模拟来研究由多分散排斥球体构成的致密流体的玻璃化转变。对于硬粒子,我们改变体积分数(\phi),并使用可压缩粒子来探索有限温度(T>0)的情况。在硬球极限下,我们的动态数据显示在(\phi_{(MCT)}\approx0.592)附近存在一个避免的模式耦合奇点的证据;这些数据与在(\phi_{(0)}\approx0.635)时平衡弛豫时间的发散一致,但它们并未确定在体积分数(\phi>\phi_{(0)})时可压缩球体是否存在有限温度奇点。通过直接测量和标度程序,我们估计了硬球亚稳流体直至(\phi_{(0)})的平衡状态方程,此时压力保持有限,这表明(\phi_{(0)})对应于理想的玻璃化转变。我们使用非平衡协议来探索(\phi_{(0)})以上的玻璃态,并确定了硬球非平衡玻璃态的多个状态方程的存在,所有这些方程在(\phi\in[0.642, 0.664])范围内的不同密度处发散。因此,玻璃态导致存在一个连续的密度范围,在该范围内可能发生堵塞转变。

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