pith. sign in

arxiv: 1708.01248 · v2 · pith:DBPF4ONLnew · submitted 2017-08-03 · ❄️ cond-mat.soft

Phase diagram of two-dimensional hard rods from fundamental mixed measure density functional theory

classification ❄️ cond-mat.soft
keywords hardfunctionaldensitydiagramphaserodstheorytwo-dimensional
0
0 comments X
read the original abstract

A density functional theory for the bulk phase diagram of two-dimensional orientable hard rods is proposed and tested against Monte Carlo computer simulation data. In detail, an explicit density functional is derived from fundamental mixed measure theory and freely minimized numerically for hard discorectangles. The phase diagram, which involves stable isotropic, nematic, smectic and crystalline phases, is obtained and shows good agreement with the simulation data. Our functional is valid for a multicomponent mixture of hard particles with arbitrary convex shapes and provides a reliable starting point to explore various inhomogeneous situations of two-dimensional hard rods and their Brownian dynamics.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.