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interactions:eam [2018/01/06 11:11] – ↷ Links adapted because of a move operation danielinteractions:eam [2018/11/22 17:19] (current) – [Embedded Atom Method (EAM) Potentials] slongbottom
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 ---- ----
  
-The energy in potentials of the Embedded Atom type consitsts of two parts, a pair potential  +The energy in potentials of the Embedded Atom type consists of two parts, a pair potential  
-term specifyed by the function Φ(r) representing the electrostatic core-core repulsion,  +term specified by the function Φ(r) representing the electrostatic core-core repulsion,  
-and a cohesive term specifyed by the function F(n) representing the energy the ion core +and a cohesive term specified by the function F(n) representing the energy the ion core 
 gets when it is "embedded" in the "Electron Sea". This Embedding Energy is a function of the  gets when it is "embedded" in the "Electron Sea". This Embedding Energy is a function of the 
 local electron density, which in turn is constructed as a superposition of contributions from  local electron density, which in turn is constructed as a superposition of contributions from 
-neighboring atoms. This electron transfer is specifyed by the function ρ(r).+neighboring atoms. This electron transfer is specified by the function ρ(r).
  
 The embedding function Fi(n) depends on the type of the embedded atom, the transfer  The embedding function Fi(n) depends on the type of the embedded atom, the transfer 
 function ρj(r) depends on the type j of the donating atom, whereas the pair potential  function ρj(r) depends on the type j of the donating atom, whereas the pair potential 
 Φij(r) depends on the types i and j of both atoms involved. All potential  Φij(r) depends on the types i and j of both atoms involved. All potential 
-functions are given in a single file, whose format is described [[:potential_files|here]].+functions are given in a single file, whose format is described [[potfiles:main|here]].
  
 The Embedded Atom Method (EAM) for [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] was  The Embedded Atom Method (EAM) for [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] was 
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 ρ0,,ρN,\\ ρ0,,ρN,\\
 F0,,FN, F0,,FN,
 +
 +=====  Special remarks  =====
 +
 +Tabulated EAM potentials require the embedding function Fi to be defined at a density of 1.0.
 +This is necessary to fix the gauge degrees of freedom.
interactions/eam.1515233496.txt.gz · Last modified: 2018/01/06 11:11 by daniel