the structure of fluids confined by planar walls is studied using density functional theory. the density functional used is a generalized form of the hypernetted chain (hnc) functional which contains a term third order in the density. this term is chosen to ensure that the modified density functional gives the correct bulk pressure. the proposed density functional applied to a lennard-jones flu...

a mixing rule for the mixtures of hard-spheres is presented which can be reduced to the standard van der waals mixing rule at low densities. the effectiveness of the mixing rule for the size and energy parameters of lennard-jones fluid are examined by combining them with an equation of state to calculate thermodynamic properties. the results of calculation are compared with the molecular dynami...

The behaviour of energy polydisperse 2d Lennard–Jones fluid (in thin-film geometry) is studied subjected to linear flow field using molecular dynamics simulations. By considering neutral and selective substrates, we systematically explore the effect on particle ordering as well response system. It shown that density profile, spatial organisation local identity in film are affected. Furthermore,...

We present a detailed numerical simulation study of two dimensional system particles interacting via the Weeks-Chandler-Anderson potential, repulsive part Lennard-Jones potential. With reduction density, shows two-step melting: continuous melting from solid to hexatic phase, followed by first order liquid. The solid-hexatic is consistent with Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) sc...

Nonequilibrium molecular dynamics simulations are reported at different strain rates (gamma) and thermodynamic state points for a shearing atomic fluid interacting via a Lennard-Jones potential. Our simulations are performed at the Lennard-Jones triple point, a point midway between the triple point and the critical point, and a high point closer to the critical temperature. We find that, for th...