The Lennard-Jones potential for an atom inside a conducting spherical cavity is derived. The interest is in possible anomalous effects near the focal point of a cavity viewed as a spherical mirror. We find a smooth dependence of the potential on the distance of the atom from the surface of the cavity. 1 Plane Mirror and the C3 coefficient Let us consider first a plane mirror, assumed to lie in ...

The dynamics of Lennard-Jones fluid is studied through extended mode coupling theory (MCT) with the inclusion of the slow mode of defect density. Inclusion of defect density facilitates the liquid like state for temperatures much lower than predicted from ideal MCT. From the present model the temperature dependence of the power law exponent is obtained at a constant pressure. We have also compu...

We present a phase field theory for binary crystal nucleation. In the one-component limit, quantitative agreement is achieved with computer simulations (Lennard-Jones system) and experiments (ice-water system) using model parameters evaluated from the free energy and thickness of the interface. The critical undercoolings predicted for Cu-Ni alloys accord with the measurements, and indicate homo...

We treat various common fluid models, like the inverse-power, Asakura-Oosawa, and Lennard-Jones potentials, within the soft fundamental measure theory (SFMT). We show that this recently proposed density-functional approach is able to predict the pair correlations in the fluid phase reliably compared to computer simulations. Explicit expressions for certain quantities of SFMT are given, namely, ...

We explore a general-purpose heuristic algorithm for finding high-quality solutions to continuous optimization problems. The method, called continuous extremal optimization (CEO), can be considered as an extension of extremal optimization and consists of two components, one which is responsible for global searching and the other which is responsible for local searching. The CEO's performance pr...

The density profiles of liquid-gas interfaces of binary mixtures are determined by xray reflectivity measurements. The surface tension γ is calculated from the measured data in the framework of the capillary waves theory. It is demonstrated that gradient theory can be used to investigate the van der Waals interaction between the different constituents of the liquid. The determination of Lennard...

We present results for the fourth virial coefficient of quadrupolar Lennard-Jones diatomics for several quadrupole moments and elongations. The coefficients are employed to predict the critical properties from two different truncated virial series. The first one employs the exact second and third virial coefficients, calculated in our previous work. The second includes also the exact fourth vir...