Constant thermodynamic tension Monte Carlo studies of elastic properties of a two-dimensional system of hard cyclic hexamers
- 10 August 1987
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 61 (5) , 1247-1258
- https://doi.org/10.1080/00268978700101761
Abstract
A constant thermodynamic tension Monte Carlo method is introduced and applied studies of the elastic properties of a two-dimensional system of hard cyclic hexamers. Elastic compliances and elastic constants are determined at a number of different values of the pressure. The existence of the phase transition between a tilted and a straight phase is confirmed. The results obtained strongly suggest that the Poisson modulus can be negative in the tilted phase.Keywords
This publication has 22 references indexed in Scilit:
- An extension of the canonical ensemble molecular dynamics methodMolecular Physics, 1986
- A unified formulation of the constant temperature molecular dynamics methodsThe Journal of Chemical Physics, 1984
- A molecular dynamics method for simulations in the canonical ensembleMolecular Physics, 1984
- Statistical ensembles and molecular dynamics studies of anisotropic solidsThe Journal of Chemical Physics, 1984
- Constant pressure molecular dynamics for molecular systemsMolecular Physics, 1983
- Structural Transformations in Solid Nitrogen at High PressurePhysical Review Letters, 1983
- Strain fluctuations and elastic constantsThe Journal of Chemical Physics, 1982
- Polymorphic transitions in single crystals: A new molecular dynamics methodJournal of Applied Physics, 1981
- Crystal Structure and Pair Potentials: A Molecular-Dynamics StudyPhysical Review Letters, 1980
- Molecular dynamics simulations at constant pressure and/or temperatureThe Journal of Chemical Physics, 1980