The files in this directory are a user-contributed package for LAMMPS.

The person who created these files is Alexander Stukowski (stukowski at mm.tu-darmstadt.de) Contact him directly if you have questions.

This package implements the concentration-dependent EAM (CD-EAM) potential for multi-component systems.

Specifically, the pair style implements an improved version of the original CD-EAM formalism. The new version (a.k.a. one-site model; cdeamVersion==1) has been published in

A. Stukowski, B. Sadigh, P. Erhart and A. Caro
Efficient implementation of the concentration-dependent embedded
atom method for molecular-dynamics and Monte-Carlo simulations
Model. Simul. Mater. Sci. Eng., 2009, 075005

This new formulation is more efficient for MD and Monte-Carlo simulations and is the default.

The original formulation (a.k.a. two-site model; cdeamVersion==2) is also implemented and has been published in

A. Caro, D. A. Crowson and M. Caro
Classical Many-Body Potential for Concentrated Alloys and the
Inversion of Order in Iron-Chromium Alloys
Phys. Rev. Lett., APS, 2005, 95, 075702