A simulation study on the phase behavior of hard rhombic platelets

作者：Tasios N; Dijkstra M^*

来源：Journal of Chemical Physics, 2017, 146(14): 144901.

DOI：10.1063/1.4979517

Using Monte Carlo simulations, we investigate the phase behavior of hard rhombic platelets as a function of the thickness of the platelets, T. The phase diagram displays a columnar phase and a crystal phase in which the platelets are stacked in columns that are arranged in a two-dimensional lattice. We find that the shape of the platelets determines the symmetry of the two-dimensional lattice, i.e., rhombic platelets form an oblique columnar phase and a simple monoclinic crystal phase. For sufficiently thick platelets, i.e., for a thickness-to-length ratio T/L > 0.17, we find only an isotropic fluid, an oblique columnar phase, and a monoclinic crystal phase. Surprisingly, for an intermediate plate thickness, 0.083 < T/L < 0.17, we also find a region in between the isotropic (or nematic) phase and the columnar phase, where the smectic phase is stable. For sufficiently thin platelets, T/L < 0.13, the phase diagram displays a nematic phase. With the exception of the smectic phase, our results resemble the phase behavior of discotic particles. Our results may guide the synthesis and future experiments on rhombic nanoplatelets. Published by AIP Publishing.

• 出版日期2017-4-14