论文标题
关于相变的几何猜想
A geometric conjecture about phase transitions
论文作者
论文摘要
由于必须从相互作用粒子的集体行为中得出的现象,使用统计热力学仍然难以预测相变。最近的一项名为“拓扑假设”的提案表明,可以通过对配置空间可访问部分的拓扑的变化来推断相变的存在。相反,本文表明,这种拓扑变化通常与配置空间几何形状的急剧变化有关,并且几何变化是相变的实际驱动力。更确切地说,几何变化导致在配置空间上最初的概率分布所需的混合时间中的不连续性,以达到稳态,这与热力学极限中相变的发作有关。通过评估硬盘和硬盘的硬球系统的配置空间的扩散直径和$ε$的时间来测试该猜想。为这些系统的配置空间构建了显式几何形状,数值证据表明,$ε$混合时间的不连续性与热力学极限中的固体流体相变相吻合。
As phenomena that necessarily emerge from the collective behavior of interacting particles, phase transitions continue to be difficult to predict using statistical thermodynamics. A recent proposal called the topological hypothesis suggests that the existence of a phase transition could perhaps be inferred from changes to the topology of the accessible part of the configuration space. This paper instead suggests that such a topological change is often associated with a dramatic change in the configuration space geometry, and that the geometric change is the actual driver of the phase transition. More precisely, a geometric change that brings about a discontinuity in the mixing time required for an initial probability distribution on the configuration space to reach steady-state is conjectured to be related to the onset of a phase transition in the thermodynamic limit. This conjecture is tested by evaluating the diffusion diameter and $ε$-mixing time of the configuration spaces of hard disk and hard sphere systems of increasing size. Explicit geometries are constructed for the configuration spaces of these systems, and numerical evidence suggests that a discontinuity in the $ε$-mixing time coincides with the solid-fluid phase transition in the thermodynamic limit.