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--- interactions:adp [2018/01/06 10:39] – ↷ Page moved from adp to interactions:adp daniel
+++ interactions:adp [2018/01/22 17:48] (current) – daniel
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-The angular-dependent potentials were developed for the Fe-Ni system. It is a generalization of the EAM model for the simulation of the covalent component of bonding.
+The angular dependent potentials were developed for the Fe-Ni system. It is a generalization of the EAM model for the simulation of the covalent component of bonding.
-The angular-dependent potential (ADP) for [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] was implemented by Franz Gähler. It was adapted for use in //potfit// by Daniel Schopf.
+The angular dependent potential (ADP) for [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] was implemented by Franz Gähler. It was adapted for use in //potfit// by Daniel Schopf.
 =====  Basic Theory  =====
-The angular-dependent potenial model was suggested by Mishin et al.((Mishin, Y., Mehl, M. J., and Papaconstantopoulos, //D. A. Acta Mater.//,** 53** (15), 4029-4041, (2005) )).
+The angular dependent potenial model was suggested by Mishin et al.((Mishin, Y., Mehl, M. J., and Papaconstantopoulos, //D. A. Acta Mater.//,** 53** (15), 4029-4041, (2005) )).
 Since it is based on the EAM potential model, the first two terms in the expression for the energy are exactly the same as for EAM potentials:
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 $u_{00}, \ldots, u_{0N}, u_{11}, \ldots, u_{1N}, \ldots, u_{NN}$\\
 $w_{00}, \ldots, w_{0N}, w_{11}, \ldots, w_{1N}, \ldots, w_{NN}$\\
+=====  Special remarks  =====
+Tabulated ADP potentials require the embedding function $F_i$ to be defined at a density of $1.0$.
+This is necessary to fix the gauge degrees of freedom.