It is known, that the Leonard–Jones (L–J) potential describes the interaction of atoms of simple non-polar gases [1]. However, at large distances between atoms the interaction forces fall faster, than it is described by the L–J potential [1]. The corresponding corrections (including light atoms) are suggested in papers [2]–[6]. These authors had a suspicion, that, for light atoms, either L–J fo...

Cover page: The fth frequency breakdown (2562 particles) of a spherical icosahedron projected onto a hyperbolic surface. The shown Voronoi polygons of the particles are coloured according to the Lennard-Jones potential energy: bright is high energy, dark is low energy.

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 dy...

We discuss the application of Monte Carlo methods to the self-consistent calculation of a Ginzburg–Landau free energy functional for Lennard-Jones systems in three dimensions. Following this discussion, we demonstrate that the parameters in the coarse-grained free energy can be extracted from a multivariate distribution of energies and particle densities which, when suitably reweighted, permit ...

We have used a variational approach to calculate some thermodynamic properties of the quasi-one dimensional liquid 3He such as the energy, entropy, free energy, equation of state and heat capacity at finite temperature. We have employed the Lennard-Jones potential as the inter-atomic interaction. We have seen that the total energy increases by increasing both temperature and density....