EAM potential for Metal and Metal Alloys


Developer: Dr. Hamid Mosaddeghi 


In computational chemistry and computational physics, the embedded atom model, embedded-atom method or EAM, is an approximation describing the energy between atoms, an interatomic potential. The energy is a function of a sum of functions of the separation between an atom and its neighbors

In the original model, by Murray Daw and Mike Baskes, the latter functions represent the electron density. EAM is related to the second moment approximation to tight binding theory, also known as the Finnis-Sinclair model. These models are particularly appropriate for metallic systems. Embedded-atom methods are widely used in molecular dynamics simulations


With this code you can creates Metal and Metal Alloys force field potential (EAM potential) for using in Molecular Dynamics Simulation

Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Fe, Mo, Ta, W, Mg, Co, Ti, and Zr

:Metal Alloys

 ......., same as : Al-Ag

 ......, same as : Al-Ag-Cu

Compatibale with DL_POLY and Lammps