× Warning! Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.

× Updated! Potentials that share interactions are now listed as related models.

2015--Mendelev-M-I--fictional-Cu

Citation: M.I. Mendelev (2015), "to be published".

Notes: Dr. M.I. Mendelev (Ames Laboratory) noted that these are new fictional potentials intended to supplement the existing potentials posted to the NIST repository in 2015, listed under V. Borovikov, M.I. Mendelev, A.H. King and R. LeSar, Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals, MSMSE 23, 055003 (2015). Dr. Mendelev further noted that, "all potentials provide the same SFE but different unstable stacking fault energy (USFE). All these potentials are designed to study the effect of SFE and USFE on the deformation behavior in fcc metals."

LAMMPS pair_style eam/fs

Notes: These files were sent by M.I. Mendelev (Ames Laboratory) on 19 Aug. 2015 and posted with his permission.
File(s):

MCu31.eam.fs
MCu32.eam.fs
MCu33.eam.fs
MCu34.eam.fs