The embedded-atom method (EAM) is a popular tcchni;!ue for the atomic simulation of meals and alloys. The EAM procedure involves two computational phases; the first to e,,aluate electron densities and the second to evatua~e e ~ energies and repulsive forces. Substantial computational ce ~ts are required for each phase, particularly for khe simaJafio¢ of large particle systems. On distributed-me...

We present an embedded-atom-method (EAM) model that accurately describes the vibrational dynamics in the alkali metals Li, Na, K, Rb and Cs. The bulk dispersion curves, frequency-moment Debye temperatures and temperature-dependent entropy Debye temperatures are all in excellent agreement with experimental results. The model is also well suited for studying surface vibrational dynamics in these...

The Peierls stress for a [111]-screw dislocation in bcc Tantalum is calculated using an embedded atom potential. More importantly, a method is presented which allows accurate calculations of the Peierls stress in the smallest periodic cells. This method can be easily applied to ab initio calculations, where only the smallest unit cells capable of containing a dislocation can be conviently used....

The Peierls stress for a [111]-screw dislocation in bcc Tantalum is calculated using an embedded atom potential. More importantly, a method is presented which allows accurate calculations of the Peierls stress in the smallest periodic cells. This method can be easily applied to ab initio calculations, where only the smallest unit cells capable of containing a dislocation can be conviently used....

The D2 on Cu(111) system has for many years been one of the major benchmark systems surface scientists. Generating configurations using embedded atom method (EAM), we investigate quality chemically accurate static corrugation model (SCM) including temperature effects, with a focus random displacement approach to its distorted generation. With this EAM potential, also treat our fully dynamically...

On the atomic scale, Molecular Dynamic (MD) Simulation of Nano Al cluster impact on Al (100) substrate surface has been carried out for energies of 1-20 eV/atom to understand quantitatively the interaction mechanisms between the cluster atoms and the substrate atoms. The many body Embedded Atom Method (EAM) was used in this simulation. We investigated the maximum substrate temperature Tmax  and...

The energetics of Ni vacancy jumps in the intermetallic compound NiAl are studied by combining embedded-atom and first-principles calculations. The embedded-atom potential used in this work is fit to both experimental and first-principles data and provides an accurate description of point defect energies and vacancy jump barriers in NiAl. Some of the embedded-atom results reported here, are ind...