The dynamical stability of three-dimensional (3D) Lennard-Jones (LJ) crystals has been studied for many years. fcc and hcp structures are dynamically stable, while the bcc structure is stable only long-range LJ potentials that characterized by relatively small integer pairs $(m,n)$. Here, we study two-dimensional (2D) crystals, where planar hexagonal, buckled honeycomb, square assumed. We demon...

Isomorphs are lines in the density-temperature plane of certain "strongly correlating" or "Roskilde simple" liquids where two-point structure and dynamics have been shown to be close to identical up to a scale transformation. Here we consider such a liquid, a Lennard-Jones glass former, and investigate the behavior along isomorphs of higher-order structural and dynamical correlations. We then c...

Let F be a finite group with a Sylow 2-subgroup S that is normal and abelian. Using hyperelementary induction and cartesian squares, we prove that Cappell’s unitary nilpotent groups UNil∗(Z[F ];Z[F ],Z[F ]) have an induced isomorphism to the quotient of UNil∗(Z[S];Z[S],Z[S]) by the action of the group F/S. In particular, any finite group F of odd order has the same UNil-groups as the trivial gr...

A molecular dynamics simulation of vapor phase nucleation has been performed with 40,000 Lennard-Jones particles for the target gas and 0-160,000 particles for the carrier gas. Three carrier gas models are adopted, including a soft-core model, a Lennard-Jones model, and a modified Lennard-Jones model in which the attractive interaction can be adjusted. The effect of the carrier-gas pressure is ...

We improve the best known lower bounds on the distance between two points of a Morse cluster in R, with ρ ∈ [4.967, 15]. Our method is a generalization of the one applied to the Lennard-Jones potential in [2], and it also leads to improvements of lower bounds for the energy of a Morse cluster. Some of the numerical results have been announced in [1].

Based on the variational and perturbation theories of liquid state, at equilibrium conditions, an approximation technique is introduced through which it has been made possible the derivation of analytic relations for the thermodynamic properties of simple liquids in which the intermolecular potential can be represented by the Lennard-Jones (m-n) potential function. By the application of the har...

A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains are modeled as freely joined spheres. Segments and all components interact via LennardJones (12–6) potential. The interactions of fluid molecules with the wall are described by the Lennard-Jones (9–3) potential. We analyze how different parameters of the model affe...