Suppr超能文献

二维硬椭圆的相图。

Phase diagram of two-dimensional hard ellipses.

作者信息

Bautista-Carbajal Gustavo, Odriozola Gerardo

机构信息

Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, 09340 México, Distrito Federal, Mexico and Academia de Matemáticas, Universidad Autónoma de la Ciudad de México, 07160 México, Distrito Federal, Mexico.

Programa de Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, 07730 México, Distrito Federal, Mexico.

出版信息

J Chem Phys. 2014 May 28;140(20):204502. doi: 10.1063/1.4878411.

Abstract

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.

摘要

我们报告了通过复制交换蒙特卡罗模拟获得的二维硬椭圆体的相图。复制交换是通过在压力下扩展等压系综来实现的。相图显示出四个区域:各向同性、向列相、塑性相和固相(暂不考虑在各向同性 - 塑性两步转变处的六方相 [E. P. 伯纳德和W. 克劳特,《物理评论快报》107, 155704 (2011)])。在低各向异性下,各向同性流体转变为塑性相,而塑性相在压力(面积分数)增加时又会转变为固相。中等各向异性导致单一的一级转变(各向同性 - 固相)。最后,大的各向异性在低压下产生各向同性 - 向列相转变,在高压下产生向列相 - 固相转变。我们获得了连续的各向同性 - 向列相转变。对于涉及准长程位置有序的转变,即各向同性 - 塑性相、各向同性 - 固相和向列相 - 固相转变,我们观察到双峰概率密度函数。这支持一级转变情形。

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验