Density-functional study of the nematic-isotropic interface of hard spherocylinders.
The Somoza-Tarazona density-functional theory is applied to the isotropic-nematic interface of hard spherocylinders with length (L)-to-diameter (D) ratios in the range L/D=5-20. Properties such as the density and orientational order-parameter profiles and the variation of interfacial tension with bulk nematic tilt angle agree qualitatively with results of previous studies at larger values of L/D using both computer simulation and the Onsager second-virial approximation. The minimum interfacial tension is obtained at a tilt angle of 90 degrees. For values of L/D approximately 5, it is found that the Onsager approximation predicts a spurious minimum in the interfacial tension at small tilt angles.
Velasco
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Departamento de Física Teórica de la Materia Condensada and Instituto Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.
Mederos
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L
Sullivan
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DE