Density-functional theory for nematic and smectic-A ordering of hard spherocylinders.

Une theorie de fonctionnelle de densite, fondee sur l'approximation de densite aplanie, est presentee afin d'etudier les transitions de phase de systemes de spherocylindres durs de degres de liberte entierement-translationnels et orientationnels. On trouve a la fois une transition de phase nematique-isotrope et nematique-smectique A dans une large gamme de quotients longueur/largeur (L/D). Les resultats de cette theorie concordent avec des simulations par ordinateur et la limite d'Onsager L/D→∞ est retrouvee. Des commentaires sur l'application de cette theorie aux systemes d'ellipsoides dures sont proposes

[1]  Marko.  Accurate calculation of isotropic-plastic and isotropic-nematic transitions in the hard-ellipsoid fluid. , 1988, Physical review letters.

[2]  Xu,et al.  Finite-density Onsager-type theory for the isotropic-nematic transition of hard ellipsoids. , 1987, Physical review letters.

[3]  Meyer,et al.  Model for smectic-A ordering of parallel hard rods. , 1987, Physical review letters.

[4]  Stroobants,et al.  Evidence for one-, two-, and three-dimensional order in a system of hard parallel spherocylinders. , 1987, Physical review. A, General physics.

[5]  D. Frenkel.  Computer simulation of hard-core models for liquid crystals , 1987 .

[6]  Mulder.  Density-functional approach to smectic order in an aligned hard-rod fluid. , 1987, Physical review. A, General physics.

[7]  Stroobants,et al.  Evidence for smectic order in a fluid of hard parallel spherocylinders. , 1986, Physical review letters.

[8]  Ashcroft,et al.  Density-functional theory and freezing of simple liquids. , 1986, Physical review letters.

[9]  N. Ashcroft,et al.  Weighted-density-functional theory of inhomogeneous liquids and the freezing transition. , 1985, Physical review. A, General physics.

[10]  Daan Frenkel,et al.  The hard ellipsoid-of-revolution fluid I. Monte Carlo simulations , 1985 .

[11]  Daan Frenkel,et al.  The hard ellipsoid-of-revolution fluid , 1985 .

[12]  P. Tarazona,et al.  Free-energy density functional for hard spheres. , 1985, Physical review. A, General physics.

[13]  P. Tarazona,et al.  A simple density functional theory for inhomogeneous liquids , 1984 .

[14]  P. Tarazona,et al.  A density functional theory of melting , 1984 .

[15]  A. Kloczkowski,et al.  ON THE STABILITY OF THE ORIENTATIONAL DISTRIBUTION OF MOLECULES , 1979 .

[16]  K. E. Starling,et al.  Equation of State for Nonattracting Rigid Spheres , 1969 .

[17]  W. Maier,et al.  Eine einfache molekulare Theorie des nematischen kristallinflüssigen Zustandes , 1958 .

[18]  L. Onsager.  THE EFFECTS OF SHAPE ON THE INTERACTION OF COLLOIDAL PARTICLES , 1949 .

[19]  A. Kloczkowski,et al.  On the stability of the isotropic phase towards nematic and smectic A formation , 1981 .