Phase diagram of two-dimensional hard ellipses

被引:50
作者
Bautista-Carbajal, Gustavo [1 ,2 ]
Odriozola, Gerardo [3 ]
机构
[1] Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City 09340, DF, Mexico
[2] Univ Autonoma Ciudad Mexico, Acad Matemat, Mexico City 07160, DF, Mexico
[3] Inst Mexicano Petr, Programa Ingn Mol, Mexico City 07730, DF, Mexico
关键词
MONTE-CARLO-SIMULATION; TRANSITIONS; PARTICLES; NANOCRYSTALS; BEHAVIOR; FLUIDS; ORDER;
D O I
10.1063/1.4878411
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report the phase diagram of two-dimensional hard ellipses as obtained from replica exchange Monte Carlo simulations. The replica exchange is implemented by expanding the isobaric ensemble in pressure. The phase diagram shows four regions: isotropic, nematic, plastic, and solid (letting aside the hexatic phase at the isotropic-plastic two-step transition [E. P. Bernard and W. Krauth, Phys. Rev. Lett. 107, 155704 (2011)]). At low anisotropies, the isotropic fluid turns into a plastic phase which in turn yields a solid for increasing pressure (area fraction). Intermediate anisotropies lead to a single first order transition (isotropic-solid). Finally, large anisotropies yield an isotropic-nematic transition at low pressures and a high-pressure nematic-solid transition. We obtain continuous isotropic-nematic transitions. For the transitions involving quasi-long-range positional ordering, i.e., isotropic-plastic, isotropic-solid, and nematic-solid, we observe bimodal probability density functions. This supports first order transition scenarios. (C) 2014 AIP Publishing LLC.
引用
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页数:7
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