The Mendelev-Ackland potential 2003/2004 has closer fitting to interstitials and melt. The potential does not reproduce alpha-gamma transition, which is required for proper treatment of paramagnetism.

This potential is intended specifically to address the problem of radiation damage and point defects in iron containing low concentrations of phosphorus atoms. Note that the Fe part is not the same as 2003 Fe potential by Mendelev from [M.I. Mendelev, S. Han, D.J. Srolovitz, G.J. Ackland, D.Y. Sun and M. Asta, Phil. Mag. 83, 3977-3994 (2003).], which is available as https://openkim.org/cite/MO_769582363439_004.

According to the developer Giovanni Bonny (as reported by the NIST IPRP), this potential was not stiffened and cannot be used in its present form for collision cascades.

The potential is stiffened.

The potential was not stiffened to ZBL. The Fe potential is only suitable to describe alpha-Fe.

Does not describe cementite. Does not describe Carbon.

The potential was developed to simulate radiation damage in V with small additions of Fe.

Note that there is a typographical error in the table of parameters for this potential in the paper describing it [1]. This is potential is suitable for the simulation of the bcc Fe or solidification. For simulation of the fcc phase, one can use the Fe part from the Fe-Ni-Cr potential developed by Mendelev instead ().

Note that there is a typographical error in the table of parameters for this potential in the paper describing it [1]. This is potential is suitable for the simulation of the bcc Fe or solidification. For simulation of the fcc phase, one can use the Fe part from the Fe-Ni-Cr potential developed by Mendelev instead (https://openkim.org/id/EAM_Dynamo__MD_120291908751_005).

Note that there is a typographical error in the table of parameters for this potential in the paper describing it [1]. This is potential is suitable for the simulation of the bcc Fe or solidification. For simulation of the fcc phase, one can use the Fe part from the Fe-Ni-Cr potential developed by Mendelev instead (https://openkim.org/id/EAM_Dynamo__MD_120291908751_005).

The Al part of this potential leads to very low free surface energy. The potential may easily produce spontaneous cavity nucleation in MD which will be an artifact of this potential.

Note that this is NOT a magnetic potential. The name is confusing because it uses a framework that allows for magnetic behavior, but in the "special" case of a non-magnetic potential.

This model was automatically fit using Lorentz-Berthelot mixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown.