Impact of Ni alloying on Fe-C martensite ageing: an atomistic investigation
Résumé
We propose a computational investigation of Ni-alloying impact on Fe-C martensite ageing, at the
atomic scale. Using the Climbing Image Nudged Elastic Band technique, we showed the repulsive
nature of Ni-C pairwise interactions in 훼-iron, and demonstrated that Ni alloying lowers the migration
energies and force dipole tensor components associated to an interstitial carbon in 훼-iron. Computed
values of pairwise interactions, migration energies and dipole components were used to implement
a Kinetic Monte-Carlo approach. We found that Ni alloying: (i) has negligible impact on martensite
thermodynamical stability, (ii) accelerates ageing kinetics, by increasing carbon diffusivity
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