Sampedro Ruiz Pablo, Ni Ran
School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459, Singapore.
J Chem Phys. 2020 Nov 7;153(17):174501. doi: 10.1063/5.0026910.
Using Monte Carlo simulations, we systematically investigate the effect of particle size distribution on the phase behavior of polydisperse hard disks. Compared with the commonly used Gaussian-like polydisperse hard disks [P. Sampedro Ruiz, Q.-l. Lei, and R. Ni, Commun. Phys. 2, 70 (2019)], we find that the phase behavior of polydisperse hard-disk systems with lognormal and triangle distributions is significantly different. In polydisperse hard-disk systems of lognormal distributions, although the phase diagram appears similar to that of Gaussian-like polydisperse hard disks, the re-entrant melting of the hexatic or solid phase cannot be observed in sedimentation experiments. For polydisperse hard-disk systems of triangle distributions, the phase behavior is qualitatively different from the Gaussian-like and lognormal distributions, and we cannot reach any system of true polydispersity larger than 0.06, which is due to the special shape of the triangle distribution. Our results suggest that the exact particle size distribution is of primary importance in determining the phase behavior of polydisperse hard disks, and we do not have a universal phase diagram for different polydisperse hard-disk systems.
通过蒙特卡罗模拟,我们系统地研究了粒径分布对多分散硬磁盘相行为的影响。与常用的类高斯多分散硬磁盘[P. Sampedro Ruiz, Q.-l. Lei, and R. Ni, Commun. Phys. 2, 70 (2019)]相比,我们发现具有对数正态分布和三角形分布的多分散硬磁盘系统的相行为有显著差异。在对数正态分布的多分散硬磁盘系统中,尽管相图看起来与类高斯多分散硬磁盘的相图相似,但在沉降实验中无法观察到六方相或固相的再入熔化现象。对于三角形分布的多分散硬磁盘系统,其相行为在性质上不同于类高斯分布和对数正态分布,并且由于三角形分布的特殊形状,我们无法得到任何真实多分散度大于0.06的系统。我们的结果表明,精确的粒径分布在确定多分散硬磁盘的相行为中至关重要,并且对于不同的多分散硬磁盘系统,我们没有通用的相图。