10.21401/BD7869BC
Ellad Tadmor
EAM potential for the Al-Mn-Pd system developed by Schopf et al. (2012)
OpenKIM
2018
Software
OpenKIM
Parameterized Model
MO_137572817842_000
OpenKIM
2018
MO_137572817842_000
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
https://openkim.org/cite/MO_137572817842_000
EAM potential for the Ξ phases of Al-Mn-Pd developed by Schopf et al. (2012) using the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are obtained if one allows for oscillations on two different length scales. These potentials stabilize structure models of the Ξ phases and describe their energy with high accuracy. Simulations at temperatures up to 1200 K show very good agreement with ab initio results with respect to stability and dynamics of the system. This model is also stored in OpenKIM for the IMD EAM driver, see https://openkim.org/cite/MO_878712978062_002