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.

We prove that the scattering matrix at a fixed quasi–energy determines uniquely a time–periodic potential that belongs to L and that decays exponentially at infinity. Our result is new even in the time–independent case, where it was only proven for bounded exponentially decreasing potentials.

The microscopic effective pairing interaction in the S0-channel is investigated for two different values of the chemical potential μ starting from the separable form of the Paris NN-potential. It is shown that, within a high accuracy, this effective interaction can be approximated by the off-shell free T -matrix taken at the negative energy E = 2μ.

Using molecular simulations and a modified Classical Nucleation Theory, we study the nucleation, under flow, of variety liquids: different water models, Lennard-Jones hard sphere colloids. Our approach enables us to analyze wide range shear rates inaccessible brute-force simulations. results reveal that variation nucleation rate with is universal. A simplified version theory successfully captur...

In this paper, the radial breathing mode (RBM) frequencies of multi-walled carbon nanotubes (MWCNTs) are  obtained based on the multiple-elastic thin shell model. For this purpose, MWCNT is considered as a multiple concentric elastic thin cylindrical shells, which are coupled through van der Waals (vdW) forces between two adjacent tubes. Lennard-Jones potential is used to calculate the vdW ...

COYOTE and similar combustion programs based on the multicomponent NavierStokes equations require the mixture viscosity, thermal conductivity, and species transport coefficients as input. This report documents a model of these molecular transport coefficients that is simpler than the general theory, but which provides adequate accuracy for many purposes. This model leads to a computationally co...

We present third-order many-body perturbation theory calculations of the Lennard-Jones C3 coefficient for the alkali-metal atoms lithium, sodium, potassium, rubidium, cesium, and francium. All-order singles-doubles calculations of C3 are also presented for lithium, sodium, and potassium. For lithium and sodium the present values of C3 are compared with other theoretical and semiempirical values...

A perturbation theory is developed to calculate solid-liquid interfacial free energies, including anisotropy. The method is applied to systems with inverse-power and Lennard-Jones pair potentials as well as to metal systems with embedded-atom model potentials. The results are in reasonable agreement with the corresponding ones obtained from molecular dynamics simulations.