TY - JOUR
T1 - Accurate calculation of isotropic-plastic and isotropic-nematic transitions in the hard-ellipsoid fluid
AU - Marko, John F.
PY - 1988/1/1
Y1 - 1988/1/1
N2 - A density-functional theory for the transitions from isotropic to plastic crystal and to nematic fluid in a fluid of prolate hard ellipsoids is presented. Direct correlations are computed with a variational technique based on the Percus-Yevick equation for the correlation functions. As anisotropy is increased from the case of hard spheres, the isotropic-plastic transition density increases, as seen in computer simulations. For large anisotropies, the direct correlations are modified from previously assumed forms, bringing the isotropic-nematic transition density into agreement with simulations.
AB - A density-functional theory for the transitions from isotropic to plastic crystal and to nematic fluid in a fluid of prolate hard ellipsoids is presented. Direct correlations are computed with a variational technique based on the Percus-Yevick equation for the correlation functions. As anisotropy is increased from the case of hard spheres, the isotropic-plastic transition density increases, as seen in computer simulations. For large anisotropies, the direct correlations are modified from previously assumed forms, bringing the isotropic-nematic transition density into agreement with simulations.
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U2 - 10.1103/PhysRevLett.60.325
DO - 10.1103/PhysRevLett.60.325
M3 - Article
C2 - 10038513
AN - SCOPUS:0001455210
VL - 60
SP - 325
EP - 328
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 4
ER -