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Constant thermodynamic tension Monte Carlo studies of elastic properties of a two-dimensional system of hard cyclic hexamers

Molecular Physics · 1987 · Vol. 61(5) · pp. 1247–1258
Krzysztof W. Wojciechowski

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.

Polymer crystallization and propertiesPhase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesMonte Carlo methodThermodynamicsConstant (computer programming)Tension (geology)Phase (matter)Elastic modulusPhase transitionPoisson's ratioPoisson distributionBulk modulus
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418
FWCI
1.17
field-weighted impact
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30
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74%
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References
Constant pressure molecular dynamics for molecular systems
Molecular Physics · 1983 · 3,289 citations
A unified formulation of the constant temperature molecular dynamics methods
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Polymorphic transitions in single crystals: A new molecular dynamics method
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The Journal of Chemical Physics · 1980 · 5,653 citations
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Journal of Molecular Structure · 1975 · 2,355 citations
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