Embedded atom model: Difference between revisions

Revision as of 06:52, 1 September 2009

Revision as of 06:53, 1 September 2009

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==Model simulation==

In a simulation, the energypotential dueenergy toof an atom, ''i'', is given by:<ref>{{cite news|url=http://lammps.sandia.gov/doc/pair_eam.html|title=Pair - EAM|publisher=LAMMPS Molecular Dynamics Simulator |accessdate=2008-10-01}}</ref>

:<math>E_i = F_\alpha\left(\sum_{i\neq j} \rho_\alpha (r_{ij}) \right) + \frac{1}{2} \sum_{i\neq j} \phi_{\alpha\beta}(r_{ij})</math>,