10.25950/AAAAE529
Jang, Hyo-Sun
Hyo-Sun
Jang
Seol, Donghyuk
Donghyuk
Seol
Lee, Byeong-Joo
Byeong-Joo
Lee
MEAM Potential for the Ca-Zn-Mg system developed by Jang, Seol and Lee (2019) v000
OpenKIM
2021
Software
OpenKIM
Model
MO_708495328010_000
Hyo-Sun Jang
OpenKIM
2021
MO_708495328010_000
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_000
https://openkim.org/cite/MO_708495328010_000
An interatomic potential for the Mg-Zn-Ca ternary system. The development was based on the second nearest-neighbor modified embedded-atom method formalism, combining previously developed Mg-Zn and Mg-Ca potentials with the newly developed Zn-Ca binary potential. The Zn-Ca and Mg-Zn-Ca potentials reproduce structural, elastic, and thermodynamic properties of compounds and solution phases of relevant alloy systems in reasonable agreement with experimental data, first-principles and CALPHAD calculations. In original paper (Jang et al., Calphad, 67:101674, 2019), the applicability of the developed potentials is demonstrated through calculations of the effects of Zn and Ca solutes on the generalized stacking fault energy for various slip systems, segregation energy on twin boundaries, and volumetric misfit strain