Computer simulation of liquids and liquid crystals

David L. Cheung; Lucian Anton; Michael P. Allen; Andrew J. Masters

doi:10.1016/j.cpc.2008.01.029

Computer simulation of liquids and liquid crystals

David L. Cheung
, Lucian Anton
, Michael P. Allen
, Andrew J. Masters

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

24 Citations (Scopus)

Abstract

Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed.

Original language	English
Pages (from-to)	61-65
Number of pages	5
Journal	Computer Physics Communications
Volume	179
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cpc.2008.01.029
Publication status	Published - Jul 2008
Externally published	Yes

Keywords

Bridge function
Integral equations
Molecular simulation
Monte Carlo

Access to Document

10.1016/j.cpc.2008.01.029

Cite this

@article{f4783fdeaa9e4b73b661839bf8468f7a,

title = "Computer simulation of liquids and liquid crystals",

abstract = "Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed.",

keywords = "Bridge function, Integral equations, Molecular simulation, Monte Carlo",

author = "Cheung, \{David L.\} and Lucian Anton and Allen, \{Michael P.\} and Masters, \{Andrew J.\}",

year = "2008",

month = jul,

doi = "10.1016/j.cpc.2008.01.029",

language = "English",

volume = "179",

pages = "61--65",

journal = "Computer Physics Communications",

issn = "0010-4655",

publisher = "Elsevier B.V.",

number = "1-3",

}

TY - JOUR

T1 - Computer simulation of liquids and liquid crystals

AU - Cheung, David L.

AU - Anton, Lucian

AU - Allen, Michael P.

AU - Masters, Andrew J.

PY - 2008/7

Y1 - 2008/7

N2 - Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed.

AB - Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed.

KW - Bridge function

KW - Integral equations

KW - Molecular simulation

KW - Monte Carlo

UR - https://www.scopus.com/pages/publications/44649096450

U2 - 10.1016/j.cpc.2008.01.029

DO - 10.1016/j.cpc.2008.01.029

M3 - Article

SN - 0010-4655

VL - 179

SP - 61

EP - 65

JO - Computer Physics Communications

JF - Computer Physics Communications

IS - 1-3

ER -

Computer simulation of liquids and liquid crystals

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this