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...

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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 ...

An attempt is made in this work to combine the Lennard–Jones chain model (LJC) of self-diffusion coefficient with the statistical associating fluid theory (SAFT). The real non-spherical associating molecules are modeled as chains of tangent Lennard–Jones segments with association sites. An equation for the self-diffusion coefficient in a polyatomic associating fluid is presented as a product of...

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].

The analogue of the hydrophobic hydration is explored for Lennard-Jones solutions. The free energy of solvation and its temperature derivatives, both in the constant-pressure process and in the constant-volume process, are obtained numerically for a variety of the size and energy parameters for the solute-solvent Lennard-Jones potential. We identify in the parameter space a region in which the ...