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arXiv 2007.07625cond-mat.stat-mechcond-mat.dis-nn
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玻璃态液体中组态的重叠

On the overlap between configurations in glassy liquids

Benjamin Guiselin, Gilles Tarjus, Ludovic Berthier

摘要:

液体构型之间的重叠或相似性是玻璃化转变的平均场描述的核心,并且在研究三维玻璃形成液体时仍然是一个有用的概念。然而,在液体中,重叠涉及公差,通常是颗粒间距离的一部分$a/σ$,与两种构型必须如何精确地相似才能属于相同的物理相关“状态”相关。在这里,我们系统地调查的重叠波动的依赖性和由此产生的相图时,公差是在一个大的范围内变化。我们表明,虽然动力学和热力学玻璃化转变(如果存在)的位置是独立的$a/σ$,与低和高重叠相之间的过渡的临界点的存在下,所施加的源nontrivially取决于$a/σ$的值。我们合理化我们的研究结果,使用液态理论和超网链(HNC)近似的关联函数。此外,我们通过计算机模拟研究了三维玻璃成形器,证实了理论趋势。我们特别表明,\rev(低于通常认为的范围的$a/σ$)使临界点的温度最大化,在粘度低的液体区域中将其推高,并且由于显著更快的平衡,计算机调查更容易。

英文摘要:

The overlap, or similarity, between liquid configurations is at the core of the mean-field description of the glass transition, and remains a useful concept when studying three-dimensional glass-forming liquids. In liquids, however, the overlap involves a tolerance, typically of a fraction $a/σ$ of the inter-particle distance, associated with how precisely similar two configurations must be for belonging to the same physically relevant "state". Here, we systematically investigate the dependence of the overlap fluctuations and of the resulting phase diagram when the tolerance is varied over a large range. We show that while the location of the dynamical and thermodynamic glass transitions (if present) is independent of $a/σ$, that of the critical point associated with a transition between a low- and a high-overlap phases in the presence of an applied source nontrivially depends on the value of $a/σ$. We rationalize our findings by using liquid-state theory and the hypernetted chain (HNC) approximation for correlation functions. In addition, we confirm the theoretical trends by studying a three-dimensional glass-former by computer simulations. We show in particular that \rev{a range of $a/σ$ below what is commonly considered maximizes the temperature of the critical point, pushing it up in a liquid region where viscosity is low and computer investigations are easier due to a significantly faster equilibration.

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