Equilibrium structural properties of solid-liquid interfaces in Cu-Ni alloys are studied by Monte-Carlo simulations employing interatomic potentials based on the embedded-atom method. We describe a thermodynamicintegration approach used to derive bulk concentrations and densities for solid and liquid phases in two-phase thermodynamic equilibrium. These results are used as a basis for constructi...

We develop an empirical interatomic potential model for the gold-silicon binary system that is fitted to the experimental phase diagram. The model is constructed on the basis of the modified embedded-atom-method formalism and its binary phase diagram is computed by efficient free energy methods. The eutectic temperature and eutectic composition of the model match well with the experimental valu...

Employing the empirical embedded-atom method potentials, the evolution of edge and screw dislocation core structure is calculated at different hydrogen concentrations. With hydrogen, the core energy and Peierls potential are reduced for all dislocations. A broaden-core and a quasi-split core structure are observed for edge and screw dislocation respectively. The screw dislocation and hydrogen i...

The room temperature structure of aluminum, copper and gold infinite nanowires is studied. The molecular dynamics simulation method and the same type of the embedded atom potentials made by Voter and coworkers are used. It was found that multi-shelled and various filled metallic nanowires exist depending on the metal and the initial configuration. The results were compared with previous simulat...

An attempt is made to formulate a set of requirements for simulation and modelling of relaxation in dense media. Each requirement is illustrated by examples of numerical simulation of particles with different types of interaction given by softsphere, Lennard–Jones, embedded atom method or Coulomb potential. The approaches developed are expected to be universal for some classes of relaxation pro...

We present an analysis of the vibrational dynamics of metal vicinal surfaces using the embedded atom method to describe the interaction potential and both a real space Green’s function method and a slab method to calculate the phonons. We report two main general characteristics : a global shift of the surface vibrational density of states resulting from a softening of the force field. The latte...