Impact of Ni alloying on Fe-C martensite ageing: an atomistic investigation

SCRIPTA MATERIALIA

卷:205

Article

Eymeoud, Paul¹  Huang, Liangzhao¹  Maugis, Philippe¹ 

[1] Aix Marseille Univ, IM2NP Marseille, CNRS, Marseille, France

关键词: Martensite ageing;    Fe-Ni-C;    Carbon diffusion;    Climbing Image Nudged Elastic Band;    Kinetic Monte-Carlo;    Mean-field elastic model;   

DOI  :  10.1016/j.scriptamat.2021.114182

来源: Elsevier

【 摘 要 】

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 NiC pairwise interactions in alpha-iron, and demonstrated that Ni alloying lowers the migration energies and force dipole tensor components associated to an interstitial carbon in alpha-iron. Computed values of pair wise 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. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

Free