Embedded atom model: Difference between revisions

Revision as of 21:21, 19 November 2014

Revision as of 17:05, 26 December 2014

Line 1:

In [[computational chemistry]] and [[computational physics]], the '''embedded atom model''', '''embedded-atom method''' or '''EAM''', is an approximation describing the energy between two 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 (physics)|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.

==Model simulation==

In a simulation, the potential energy of an atom, <math>i\!</math>, 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>

Line 10 ⟶ 12:

==See also==

* [[Interatomic potential]]

* [[Lennard-Jones potential]]

* [[Bond order potential]]