Jespersen Daniel, Costigliola Lorenzo, Dyre Jeppe C, Saw Shibu
Glass and Time, IMFUFA, Department of Science and Environment, Roskilde University, PO Box 260, DK-4000 Roskilde, Denmark.
J Phys Condens Matter. 2023 Aug 3;35(44). doi: 10.1088/1361-648X/aceac9.
This paper studies size-polydisperse Lennard-Jones systems described by active Ornstein-Uhlenbeck particle (AOUP) dynamics. The focus is on the existence of isomorphs (curves of invariant structure and dynamics) in the model's three-dimensional phase diagram. Isomorphs are traced out from a single steady-state configuration by means of the configurational-temperature method. Good isomorph invariance of the reduced-unit radial distribution function and the mean-square displacement as a function of time is demonstrated for three uniform-distribution polydispersities,12%, 23%, and 29%. Comparing to active-matter isomorphs generated by the analytical direct-isomorph-check method, the latter have poorer invariance of the structure, but better invariance of the dynamics. We conclude that both methods can be used to quickly get an overview of the phase diagram of polydisperse AOUP models involving a potential-energy function obeying the hidden-scale-invariance property required for isomorph theory to apply.
本文研究了由活性奥恩斯坦-乌伦贝克粒子（AOUP）动力学描述的尺寸多分散的 Lennard-Jones 系统。重点在于该模型三维相图中同构体（不变结构和动力学曲线）的存在性。通过构型温度方法从单个稳态构型追踪出同构体。对于 12%、23%和 29%这三种均匀分布多分散性，证明了约化单位径向分布函数和均方位移随时间变化具有良好的同构不变性。与通过解析直接同构检验方法生成的活性物质同构体相比，后者结构的不变性较差，但动力学的不变性较好。我们得出结论，这两种方法均可用于快速了解涉及同构理论应用所需的具有隐藏尺度不变性性质的势能函数的多分散 AOUP 模型的相图概况。
