A re‐examination of the phase diagram of hard spherocylinders

SC McGrother, DC Williamson… - The Journal of chemical …, 1996 - pubs.aip.org
The phase transitions exhibited by systems of hard spherocylinders, with a diameter D and
cylinder length L, are re‐examined with the isothermal–isobaric Monte Carlo (MC‐NPT) …

Phase diagram of a system of hard spherocylinders by computer simulation

JAC Veerman, D Frenkel - Physical review A, 1990 - APS
We report a computer-simulation study of the phase diagram of a system of hard
spherocylinders with aspect ratio L/D between 0 and 5. For L/D≤ 3 only isotropic liquid and …

Evidence for one-, two-, and three-dimensional order in a system of hard parallel spherocylinders

A Stroobants, HNW Lekkerkerker, D Frenkel - Physical Review A, 1987 - APS
The phase diagram of a system of hard parallel spherocylinders with length-to-width ratios
L/D between 0 and∞ is investigated by Monte Carlo simulation. In addition to a low-density …

The effect of dipolar interactions on the liquid crystalline phase transitions of hard spherocylinders with central longitudinal dipoles

SC McGROTHER, A Gil-Villegas, G Jackson - Molecular Physics, 1998 - Taylor & Francis
The results of isothermal—isobaric Monte Carlo (MC-NPT) simulations for N= 1020 hard
spherocylinders of aspect ratio L/D= 5 with embedded central longitudinal point dipoles are …

Structure of hard-core models for liquid crystals

D Frenkel - The Journal of Physical Chemistry, 1988 - ACS Publications
The results of recent computer simulations on fluids of nonspherical hard-core particles are
discussed. New data are presented on the structure and dynamics of a system of hard …

Evidence for smectic order in a fluid of hard parallel spherocylinders

A Stroobants, HNW Lekkerkerker, D Frenkel - Physical review letters, 1986 - APS
Abstract We present Monte Carlo simulations on systems of parallel spherocylinders with
length-to-width ratios LD between 0.25 and 5. We have determined the solid-liquid …

Density-Functional Theory for Nematic and Ordering of Hard Spherocylinders

A Poniewierski, R Hołyst - Physical review letters, 1988 - APS
A density-functional theory, based on the smoothed density approximation, is presented in
order to study phase transitions in systems of hard spherocylinders with full translational and …

Onsager's spherocylinders revisited

D Frenkel - Journal of physical chemistry, 1987 - ACS Publications
Since the workof Onsager, systems of hard spherocylinders have played a special role as
the theoretician's “ideal” nematic liquid crystals. It is, however, well-knownthat the Onsager …

Nematic-Smectic--Smectic- Transitions in Systems of Parallel Hard Molecules

AM Somoza, P Tarazona - Physical review letters, 1988 - APS
The phase diagram for liquid-crystal models of hard molecules is studied by use of a
nonlocal density functional for the free energy. Nematic, smectic-A, and smectic-C phases …

The Onsager‐type theory for nematic ordering of finite‐length hard ellipsoids

SD Lee - The Journal of chemical physics, 1988 - pubs.aip.org
MC 0.517 0.507 9.786 25.1 Ref. 4 0.484 0.472 7.76 22.3 0.561 Ref. 5 0.330 0.309 0.547
Ref. 6 0.4375 0.4199 5.310 0.5677 Ref. 7 0.494 0.493 0.017 Present work 0.5173 0.5081 …