An analytical model of non-Gaussian energy landscape of low-temperature fluids is developed based on the thermodynamics of the fluid of dipolar hard spheres. The entire excitation profile of the liquid, from the high-temperature liquid to the point of ideal-glass transition, has been obtained from Monte Carlo simulations. The fluid of dipolar hard spheres loses stability close to the point of i...

We consider the effect of molecular anisotropy and dipole moment on the rate of homogeneous and heterogeneous nucleation of molecular and dipolar fluids. Density functional theory is applied to an interaction site model of molecules composed of two tangent or fused hard spheres interacting through Lennard-Jones and coulombic potentials. Interfacial properties are conditioned by entropy vs energ...

Phase diagrams of hard and soft spheres with a fixed dipole moment are determined by calculating the Helmholtz free energy using simulations. The pair potential is given by a dipole-dipole interaction plus a hard-core and a repulsive Yukawa potential for soft spheres. Our system models colloids in an external electric or magnetic field, with hard spheres corresponding to uncharged and soft sphe...

The effect of out-of-plane orientational freedom on the orientational ordering properties of a monolayer of hard ellipsoids is studied using the Parsons-Lee scaling approach and replica exchange Monte Carlo computer simulation. Prolate and oblate ellipsoids exhibit very different ordering properties, namely, the axes of revolution of prolate particles tend to lean out, while those of oblate one...

Aleksandar Donev, 2 Robert Connelly, Frank H. Stillinger, and Salvatore Torquato 2, 4, 5, ∗ Program in Applied and Computational Mathematics, Princeton University, Princeton NJ 08544 PRISM, Princeton University, Princeton NJ 08544 Department of Mathematics, Cornell University, Ithaca NY 14853 Department of Chemistry, Princeton University, Princeton NJ 08544 Princeton Center for Theoretical Phys...

By using theoretical methods and Monte Carlo simulations, this work investigates dense ordered packings and equilibrium phase behavior (from the low-density isotropic fluid regime to the high-density crystalline solid regime) of monodisperse systems of hard convex lens-shaped particles as defined by the volume common to two intersecting congruent spheres. We show that, while the overall similar...

Aleksandar Donev, 2 Robert Connelly, Frank H. Stillinger, and Salvatore Torquato 2, 4, 5, ∗ Program in Applied and Computational Mathematics, Princeton University, Princeton NJ 08544 PRISM, Princeton University, Princeton NJ 08544 Department of Mathematics, Cornell University, Ithaca NY 14853 Department of Chemistry, Princeton University, Princeton NJ 08544 Princeton Center for Theoretical Phys...