论文标题
在玻璃液体中配置之间的重叠
On the overlap between configurations in glassy liquids
论文作者
论文摘要
液体构型之间的重叠或相似性是玻璃过渡的平均场描述的核心,在研究三维玻璃形成液体时仍然是一个有用的概念。但是,在液体中,重叠涉及耐受性,通常是粒子间距离的分数$ a/σ$,与确切相似的两种配置必须属于相同的物理相关的“状态”。在这里,我们系统地研究重叠波动的依赖性以及当公差在较大范围内变化时所产生的相图的依赖性。我们表明,尽管动态和热力学玻璃跃迁的位置(如果存在)独立于$ a/σ$,但在非易位源的存在下,与低重叠相和高重叠相之间的过渡相关的临界点是$ a/σ$的值。我们通过使用液态理论和超网链(HNC)近似来合理化我们的发现,以实现相关函数。此外,我们通过通过计算机模拟研究三维玻璃形式来确认理论趋势。我们特别表明,\ rev {范围低于通常被认为是最大化临界点温度的$ a/σ$范围,在粘度较低的液体区域将其推向,并且由于平衡的速度明显更快,计算机调查更容易。
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.