Centre for Computational Innovations, Swinburne University of Technology, PO Box 218, Hawthorn, VIC, 3122, Australia.
Phys Rev E. 2019 Nov;100(5-1):052132. doi: 10.1103/PhysRevE.100.052132.
A metric (χ) is introduced to quantify the relative proportion of particles having a specified number of near neighbors that are characteristic of liquid-phase properties. It can be used as a simple alternative to other methods for the investigation of some aspects of percolation behavior. Values of χ are obtained from molecular-dynamics simulations spanning the heterogeneous vapor and liquid region and the supercritical phase of the Lennard-Jones fluid. The supercritical phase can be delineated into regions of different structural properties. At different isochoric subcritical conditions, the temperature versus χ behavior shows evidence of inflections, which are associated with the onset of transitions from the vapor and liquid region to the supercritical phase. The analysis suggests a phenomenological requirement for the critical point in terms of a near-equal proportion of near neighbors with gaslike and liquidlike characteristics.
引入了一个度量（χ）来量化具有特定近邻数量的粒子的相对比例，这些近邻具有液相性质的特征。它可以作为研究某些渗流行为方面的替代方法。χ的值是从跨越异质蒸汽和液体区域以及 Lennard-Jones 流体的超临界相的分子动力学模拟中获得的。超临界相可以划分为具有不同结构性质的区域。在不同的等容亚临界条件下，温度与 χ 的关系表现出拐点的迹象，这与从蒸汽和液体区域到超临界相的转变的开始有关。分析表明，临界点需要满足一种现象学要求，即具有气态和液态特征的近邻的比例近乎相等。
