Theoretical study of collective modes in DNA at ambient temperature
The instantaneous normal modes corresponding to radial hydrogen bonds vibrations, torsion, and axial compression fluctuations of a DNA molecule model at ambient temperature are theoretically investiga...
The instantaneous normal modes corresponding to radial hydrogen bonds vibrations, torsion, and axial compression fluctuations of a DNA molecule model at ambient temperature are theoretically investiga...
Conserved linking in single- and double-stranded polymers
We demonstrate a variant of the bond fluctuation lattice Monte Carlo model in which moves through cis conformations are forbidden. Ring polymers in this model have a conserved quantity that amounts to...
We demonstrate a variant of the bond fluctuation lattice Monte Carlo model in which moves through cis conformations are forbidden. Ring polymers in this model have a conserved quantity that amounts to...
Phase behavior of two-dimensional hard rod fluids
J. Chem. Phys. 112, 10034 (2000); doi:10.1063/1.481637
Issue Date: 8 June 2000
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Monte Carlo simulations are used to study two-dimensional hard rod fluids consisting of spherocylinders confined to lie in a plane. The phase behavior is mapped out as a function of the aspect ratio (L/D) of the particles, from the hard disc limit at one extreme (L/D = 0) to the thin hard needle limit at the other (L/D = ![[infinity]](http://scitation.aip.org/stockgif2/infin.gif)
). For long rods, a 2D nematic phase is observed at high density in which the orientational correlation functions decay algebraically, indicating that the phase does not possess true long range orientational order. The simulation data indicate that the transition from this phase to the low density isotropic phase is continuous, via a Kosterlitz–Thouless disclination unbinding type mechanism, rather than first order. For short rods the nematic phase disappears so that, on expansion, the solid phase undergoes a first order transition directly to an isotropic phase. Although the latter phase is globally isotropic, we find evidence for strong local positional and orientational correlations between the particles. Where possible, the simulation results are compared and contrasted to experimental, simulation and theoretical data for other two-dimensional liquid crystalline systems. ©2000 American Institute of Physics.
). For long rods, a 2D nematic phase is observed at high density in which the orientational correlation functions decay algebraically, indicating that the phase does not possess true long range orientational order. The simulation data indicate that the transition from this phase to the low density isotropic phase is continuous, via a Kosterlitz–Thouless disclination unbinding type mechanism, rather than first order. For short rods the nematic phase disappears so that, on expansion, the solid phase undergoes a first order transition directly to an isotropic phase. Although the latter phase is globally isotropic, we find evidence for strong local positional and orientational correlations between the particles. Where possible, the simulation results are compared and contrasted to experimental, simulation and theoretical data for other two-dimensional liquid crystalline systems. ©2000 American Institute of Physics.
| History: | Received 3 November 1999; accepted 4 February 2000 |
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Connotea
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del.icio.us
BibSonomy
KEYWORDS and PACS
nematic liquid crystals,
Monte Carlo methods,
liquid theory,
liquid-liquid transformations,
disclinations,
molecular orientation
- 61.20.Ja
Structure of solids and liquids; crystallography Structure of liquids Computer simulation of liquid structure - 64.70.Ja
Equations of state, phase equilibria, and phase transitions Specific phase transitions Liquid–liquid transitions - 61.30.Jf
Structure of solids and liquids; crystallography Liquid crystals Defects in liquid crystals - YEAR: 2000
RELATED DATABASES
PUBLICATION DATA
0021-9606 (print)
1089-7690 (online)
AIP
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