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interactions:adp

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adp [2013/08/08 08:45] – use footnote danielinteractions:adp [2018/01/06 11:22] 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  ===== =====  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: 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:
  
interactions/adp.txt · Last modified: 2018/01/22 17:48 by daniel