- With respect to computational physics and chemistry it is a method of approximation
- I necessarily describes the energy between two successive atoms which is known as inter atomic potential.
- EAM is related to the theory known as tight binding.
- These methods are also known as Finns Sinclair model.
- Within a simulation the necessary potential energy of an atom is given by:-
EXPLANATION OF EQUATION:
- Rij is the corresponding distance between the atoms i and j.
- The potential function is denoted by the symbols fi(i,j).
- The embedding function F implies the force required to implant an atom of the type alpha inside the electron cloud.
- Having said that the electron cloud is essentially the summation of many atoms by a cut off radius.
- Within Binary alloys the EAM energy(potential) requires 7 individual functions:-
- 2 electron cloud distributions
- 2 embedding functions
- 3 pair interactions(B-B,A-B,A-A)
- Usually these functions are tabulated with the aid of tables and extended using cubic splines.
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