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Pré-Publication, Document De Travail Scripta Materialia Année : 2021

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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Dates et versions

hal-03600558 , version 1 (07-03-2022)

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Paul Eyméoud, Liangzhao Huang, Philippe Maugis. Impact of Ni alloying on Fe-C martensite ageing: an atomistic investigation. 2022. ⟨hal-03600558⟩
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