Plastic crystal phases of hard dumbbells and hard spherocylinders

Journal Article · Fri Aug 01 04:00:00 EDT 1997 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.474626· OSTI ID:526882

Vega, C ^[1]; Monson, P A ^[2]

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1. Departamento de Quimica-Fisica, Facultad de Ciencias Quimicas, Universidad Complutense, 28040 Madrid (Spain)
2. Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003 (United States)

We compare the solid-fluid phase diagrams calculated from computer simulations of hard dumbbells and hard spherocylinders in the region of anisotropy where a plastic crystal phase is stable for both systems. When appropriate reduced units are used for the pressure and densities, the coexistence properties for these models are very similar. The existing evidence suggests that for both models the density change on freezing of the fluid into the plastic crystal phase becomes very small as the limit of stability of the plastic crystal phase is reached, but the transition remains first order. {copyright} {ital 1997 American Institute of Physics.}

• OSTI ID: 526882
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 7 Vol. 107; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ANISOTROPY
COMPUTERIZED SIMULATION
CRYSTALS
DENSITY
EQUATIONS OF STATE
FREE ENERGY
LIQUIDS
MONTE CARLO METHOD
PHASE DIAGRAMS
PLASTICS
STRUCTURE FACTORS