Molecular correlation functions for uniaxial ellipsoids in the isotropic state
We perform event-driven molecular dynamics simulations of a system composed by uniaxial hard ellipsoids for different values of the aspect-ratio and packing fraction . We compare the molecular orientational-dependent structure factors previously calculated within the Percus-Yevick approximation with the numerical results. The agreement between theoretical and numerical results is rather satisfactory. We also show that, for specific orientational quantities, the molecular structure factors are sensitive to the particle shape and can be used to distinguish prolate from oblate ellipsoids. A first-order theoretical expansion around the spherical shape and a geometrical analysis of the configura…
Saddle index properties, singular topology, and its relation to thermodynamic singularities for aϕ4mean-field model
We investigate the potential energy surface of a ${\ensuremath{\phi}}^{4}$ model with infinite range interactions. All stationary points can be uniquely characterized by three real numbers ${\ensuremath{\alpha}}_{+},{\ensuremath{\alpha}}_{0},{\ensuremath{\alpha}}_{\ensuremath{-}}$ with ${\ensuremath{\alpha}}_{+}+{\ensuremath{\alpha}}_{0}+{\ensuremath{\alpha}}_{\ensuremath{-}}=1$, provided that the interaction strength $\ensuremath{\mu}$ is smaller than a critical value. The saddle index ${n}_{s}$ is equal to ${\ensuremath{\alpha}}_{0}$ and its distribution function has a maximum at ${n}_{s}^{\mathrm{max}}=1∕3$. The density $p(e)$ of stationary points with energy per particle $e$, as well as…