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

Eyméoud, Paul; Huang, Liangzhao; Maugis, Philippe

doi:10.1016/j.scriptamat.2021.114182

Cited by 7 publications

(12 citation statements)

References 42 publications

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“…The C-C and Ni-C pairwise interactions are given by the ab initio calculations in Refs. [29] and [30], respectively. These interactions are in-cluded in the carbon jump frequency:…”

Section: Diffusion Modelmentioning

confidence: 99%

“…In order to evaluate the Ni-alloying effect on IF, we compare the simulation results using two sets of the elastic parameters computed from first principles in Ref. [30] (cf. Tab.…”

Section: Diffusion Modelmentioning

confidence: 99%

“…Note that the material parameters (i.e., the stiffness tensors and the elastic dipole tensors) are modified in Nialloyed Fe [30]. This modification should be responsible for the decrease of the peak height as the relaxation strength ∆ is sensitive to the material parameters [21].…”

Section: Ni-alloying Effect On the If In Ferrite Fe-c Alloymentioning

confidence: 99%

“…Elastic parameters of Fe and Fe-25Ni (at.%) that are used in the simulations of IF. These results were computed from first principles in Ref [30]. …”

mentioning

confidence: 99%

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Effect of substitutional Ni atoms on the Snoek relaxation in ferrite and martensite Fe-C alloys: An atomisitic investigation

Huang

Maugis

2022

Computational Materials Science

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Quantitative simulations of the carbon-induced internal friction in ferrite/martensite Fe-C and Fe-Ni-C alloys are performed by combining a mean-field elastic model and the atomistic kinetic Monte Carlo based on a pair interaction model to describe the composition-dependent carbon migration. The simulation is validated by experimental data and a thermo-kinetic theory. Our results predict that (i) additional peaks occur in the internal friction profiles of Fe-C and Fe-Ni-C due to C-C and Ni-C pair interactions; (ii) the Ni-alloying shifts the internal friction peak to lower temperature than in Fe-C alloys; (iii) the peak temperature is not simply related to the most frequent carbon jumps during the relaxation process; (iv) the internal friction behavior in martensite depends on the excitation direction with respect to the carbon ordering direction.

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“…The C-C and Ni-C pairwise interactions are given by the ab initio calculations in Refs. [29] and [30], respectively. These interactions are in-cluded in the carbon jump frequency:…”

Section: Diffusion Modelmentioning

confidence: 99%

“…In order to evaluate the Ni-alloying effect on IF, we compare the simulation results using two sets of the elastic parameters computed from first principles in Ref. [30] (cf. Tab.…”

Section: Diffusion Modelmentioning

confidence: 99%

Section: Ni-alloying Effect On the If In Ferrite Fe-c Alloymentioning

confidence: 99%

“…Elastic parameters of Fe and Fe-25Ni (at.%) that are used in the simulations of IF. These results were computed from first principles in Ref [30]. …”

mentioning

confidence: 99%

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Effect of substitutional Ni atoms on the Snoek relaxation in ferrite and martensite Fe-C alloys: An atomisitic investigation

Huang

Maugis

2022

Computational Materials Science

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“…High-performance ab-initio calculations make it possible to compute accurately the solute-carbon interactions [7,8,19,20]. In the dilute limit, the exact calculation of carbon diffusivity is possible using available analytical approaches such as kinetic cluster expansions [21,22].…”

Section: Introductionmentioning

confidence: 99%

Atomistic investigation on the impact of substitutional Al and Si atoms on the carbon kinetics in ferrite

Huang

Eyméoud

Maugis

2022

Journal of Alloys and Compounds

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Effect of Mechanical Stress Tensor on Phase Equilibria in Body-Centered Interstitial Alloys: Case of Carbon-Supersaturated Iron

Maugis

2022

J. Phase Equilib. Diffus.

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Solid solutions in Fe-C, Fe-N, Nb-O, Ta-O or W-C systems consist of a body-centered lattice containing C, N or O interstitials in octahedral sites. Among these systems, carbon-supersaturated iron has a major industrial interest. At low temperature, it can be found in the form of ferrite (bcc-Fe) or martensite (bct-Fe and bco-Fe). Based on a mean-field elasto-chemical model of the interstitial-strain interaction, we investigated numerically the thermodynamic stability of the three possible crystal forms. The phase stability depends not only on temperature and solute carbon content but also on the mechanical stress state of the crystal. We computed phase diagrams mapping the equilibrium phase and orientational variant as function of the components of the stress tensor. These maps are intended to help understanding the spatial distribution of orientational variants in martensite nano-crystals and in Cottrell atmospheres around dislocations.

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

Cited by 7 publications

References 42 publications

Effect of substitutional Ni atoms on the Snoek relaxation in ferrite and martensite Fe-C alloys: An atomisitic investigation

Effect of substitutional Ni atoms on the Snoek relaxation in ferrite and martensite Fe-C alloys: An atomisitic investigation

Atomistic investigation on the impact of substitutional Al and Si atoms on the carbon kinetics in ferrite

Effect of Mechanical Stress Tensor on Phase Equilibria in Body-Centered Interstitial Alloys: Case of Carbon-Supersaturated Iron

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