Effect of hydrogen atom and hydrogen filled vacancies on stacking fault energy in γ-Fe by first-principles calculations

He, Yurong; Li, Yaojun; Zhao, Xiong; Yu, Haoshui; Chen, Changfeng

doi:10.1016/j.ijhydene.2019.04.229

Cited by 26 publications

(2 citation statements)

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“…With the determination of the segregation energy from the bulk to the SF through first-principles calculations, the effects of Mn, Al, C, N, H, and Si on the SFE in austenitic steels have been obtained, and some results can compare well with the experiments. [8][9][10][11] Mn, C, and H are commonly present in austenitic steels. Mn is an effective stabilizer to increase the stability of austenite.…”

Section: Introductionmentioning

confidence: 99%

“…In contrast, it is observed that H can promote the formation of martensite in type 304 and 310 austenitic stainless steel, and they conjecture that H can reduce the SFE. [20][21][22] However, first-principles calculations [11] demonstrate that interstitial H atoms would increase the SFE, and only vacancytrapped H could lower the SFE. We speculate that this may be related to the combined effects of other alloying elements.…”

Section: Introductionmentioning

confidence: 99%

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Combined Effects of Mn, C, and H on the Stacking Fault Energy in Austenitic Mn Steels

Jin

Cao

2021

steel research int.

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Manganese, carbon, and hydrogen are common alloying elements in austenitic Mn steels, which all influence the stacking fault energy (SFE), with Mn and H decreasing while C increasing it. The combined effects of Mn, C, and H on the SFE in austenitic Fe 1Àx Mn x alloys, including pure Fe, Fe 31 Mn, Fe 15 Mn, Fe 7 Mn, and Fe 3 Mn, using first-principles calculations, are investigated. The enhancing effect of C on the SFE is 29 mJ m À2 lower in Fe 3 Mn than in pure Fe, whereas it remains largely unchanged for low Mn concentrations. The noticeable combined MnÀC effect for Fe 3 Mn is mainly due to the formation of MnÀCÀMn trimer. Similarly, the boosting effect of H is weakened with increasing Mn content. As for the ternary MnÀCÀH effect, it is found that it is generally stronger than that of binary effects. All the binary and ternary effects are much smaller than those of individual elements, indicating weak multiatom interactions of Mn, C, and H.

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Section: Introductionmentioning

confidence: 99%