Atomic migration and ordering energies in FePd: Measurement and modeling

Abstract

Atomic migration energies of 0.91 eV, 0.66 eV and 0.74 eV have been deduced in FePd from the phonon density of state in the L1 0 phase at 300 K and 860 K, and in the face-centered cubic phase at 1020 K, respectively. A good agreement is observed with the resistivity measurement results. Effective pair interactions have been determined using both an inverse cluster variation and an inverse Monte Carlo method . The results of the two methods agree well and lead to the predominance of the second effective pair interaction V 2 . The relevance of the deduced pair interactions is tested in terms of order–order and order–disorder kinetics simulations using a Monte Carlo model.