A method is presented for determining the dynamic contact angle at the three-phase contact between a solid, a liquid, and a vapor under an applied force, using molecular simulation. The method is demonstrated using a Lennard-Jones fluid in contact with a cylindrical shell of the fcc Lennard-Jones solid. Advancing and receding contact angles and the contact angle hysteresis are reported for the ...

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.

Self-assembly of Janus (or `patchy') particles is dependent on the precise interaction between neighbouring particles. Here, orientations two amphiphilic spheres within a dimer in an explicit fluid are studied with high geometric resolution. Molecular dynamics simulations and first-principles energy calculations used hard- soft-sphere Lennard-Jones potentials, temperature hydrophobicity varied....