Interatomic Potentials Repository
Ni-Al (Ni3Al)
Y. Mishin, "Atomistic modeling of the γ and γ'-phases of the Ni-Al system," Acta Mat. 52, 1451 (2004). DOI: 10.1016/j.actamat.2003.11.026.
| NiAl.eam.alloy | EAM/alloy setfl |
Note: This conversion was produced by Chandler Becker on 7 Jan 2009 from the plt files listed below. This version is compatible with LAMMPS. Validation and usage information can be found here. If you use this setfl file, please include the following citation (in addition to the Mishin reference): C.A. Becker, et al., in preparation (2009). (Reference will be updated as more information is available.)
| Al F(ρ): Fal.plt | EAM table |
| Ni F(ρ): Fni.plt | |
| Al ρ(r): fal.plt | |
| Ni ρ(r): fni.plt | |
| Al φ(r): pal.plt | |
| Ni φ(r): pni.plt | |
| Ni-Al φ(r): pnial.plt |
Note: These files were provided by Yuri Mishin.