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.
Citation: I. Sa, and B. Lee (2008), "Modified embedded-atom method interatomic potentials for the Fe–Nb and Fe–Ti binary systems", Scripta Materialia, 59(6), 595-598. DOI: 10.1016/j.scriptamat.2008.05.007.
Abstract: A semi-empirical interatomic potential formalism, the second-nearest-neighbor modified embedded-atom method (2NN MEAM), has been applied to obtain interatomic potentials for Fe–Nb and Fe–Ti systems based on the previously developed potentials for pure Fe, Nb and Ti. The present potentials generally reproduce the fundamental physical properties of the Fe–Nb and Fe–Ti systems accurately. The potentials can be easily combined with already-developed MEAM potentials for binary carbide or nitride systems and can be used to describe Fe–(Ti,Nb)–(C,N) multicomponent systems.
This page displays computed properties for the MEAM_2NN_Fe_to_Ga__MO_145522277939_001 implementation of the 2008--Sa-I-Lee-B--Fe-Ti potential. Computed values for other implementations can be seen by clicking on the links below: