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The hard ellipsoid-of-revolution fluid

Molecular Physics · 1985 · Vol. 55(5) · pp. 1171–1192
Daan FrenkelBela M. Mulder

Abstract

We present the results of Monte Carlo simulations on a system of hard ellipsoids of revolution with length-to-breadth ratios a/b = 3, 2·75, 2, 1·25 and b/a = 3, 2·75, 2, 1·25. We identify four distinct phases, viz. isotropic fluid, nematic fluid, ordered solid and plastic solid. The coexistence points of all first order phase transitions are located by performing absolute free energy computations for all coexisting phases. We find nematic phases only for a/b ⩾ 2·75 and a/b ⩽ 1>/2·75. A plastic solid is only observed for 1·25 ⩾ a/b ⩾ 0·8. It is found that the phase diagram is surprisingly symmetric under interchange of the major and minor axes of the ellipsoids.

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesSurfactants and Colloidal SystemsEllipsoidIsotropyLiquid crystalPhase diagramMonte Carlo methodPhase (matter)ComputationPhysicsCondensed matter physicsMaterials science
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References
THE EFFECTS OF SHAPE ON THE INTERACTION OF COLLOIDAL PARTICLES
Annals of the New York Academy of Sciences · 1949 · 4,856 citations
Table of Integrals, Series and Products.
Mathematics of Computation · 1981 · 8,457 citations
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