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Calculation of Austenite Generalized Stacking Fault Energy in M50NiL Steel.

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Title: Calculation of Austenite Generalized Stacking Fault Energy in M50NiL Steel.
Authors: Ding, Zifeng1 (AUTHOR), Guo, Jiaxu1,2 (AUTHOR), Zhou, Lina1,2 (AUTHOR), Zhang, Xinghong2 (AUTHOR), Ma, Xinxin1 (AUTHOR) xinxinma@126.com
Source: Materials (1996-1944). Mar2026, Vol. 19 Issue 6, p1170. 16p.
Subjects: Austenite, Carbon, Grain refinement, Carburization, Dislocations in crystals, Alloys, Austenitic steel
Abstract: By optimizing the carburizing heat treatment process, the grain size of the carburized layer of M50NiL steel was successfully refined to the sub-micron level. The mechanism for the generation of a large number of sub-micron crystal regions (SMCR) is that dislocations are entangled and linked due to the pinning effect of nanometer-sized carbides. In this study, a stacking fault energy (SFE) model for austenite in M50NiL steel was established. First-principles calculations were employed to investigate the effects of alloying elements, as well as the position and quantity of carbon (C) atoms, on the generalized stacking fault energy (GSFE). The variations in SFE were further analyzed in combination with differential charge density calculations. The simulation results revealed that the addition of alloying elements excluding nickel led to a reduction in the unstable stacking fault energy. Differential charge density analysis indicated that this decrease was associated with the weakening of Fe–Fe bonds in the L0 layer, where stacking faults occurred. When C atoms are interstitially dissolved near the L0 layer, the Fe–Fe bonds near the L0 layer are enhanced, and the unstable stacking fault energy is correspondingly increased. Compared with the pure iron system, the combined effect of alloying elements and C atoms in M50NiL steel maintained a relatively low level of both the unstable stacking fault energy and the stacking fault formation barrier, provided that C atoms were not dissolved in the L1 layer. This condition was favorable for dislocation slip. Meanwhile, the stable stacking fault energy significantly increased, enhancing the stability of austenite. Based on these simulation results, the relationship between the GSFE of austenite in M50NiL steel and the formation of subgrains and twins within the submicron crystalline regions of the carburized layer was discussed. [ABSTRACT FROM AUTHOR]
Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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Items – Name: Title
  Label: Title
  Group: Ti
  Data: Calculation of Austenite Generalized Stacking Fault Energy in M50NiL Steel.
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  Label: Authors
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  Data: <searchLink fieldCode="AR" term="%22Ding%2C+Zifeng%22">Ding, Zifeng</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Guo%2C+Jiaxu%22">Guo, Jiaxu</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhou%2C+Lina%22">Zhou, Lina</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhang%2C+Xinghong%22">Zhang, Xinghong</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ma%2C+Xinxin%22">Ma, Xinxin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> xinxinma@126.com</i>
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  Data: <searchLink fieldCode="JN" term="%22Materials+%281996-1944%29%22">Materials (1996-1944)</searchLink>. Mar2026, Vol. 19 Issue 6, p1170. 16p.
– Name: Subject
  Label: Subjects
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Austenite%22">Austenite</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon%22">Carbon</searchLink><br /><searchLink fieldCode="DE" term="%22Grain+refinement%22">Grain refinement</searchLink><br /><searchLink fieldCode="DE" term="%22Carburization%22">Carburization</searchLink><br /><searchLink fieldCode="DE" term="%22Dislocations+in+crystals%22">Dislocations in crystals</searchLink><br /><searchLink fieldCode="DE" term="%22Alloys%22">Alloys</searchLink><br /><searchLink fieldCode="DE" term="%22Austenitic+steel%22">Austenitic steel</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: By optimizing the carburizing heat treatment process, the grain size of the carburized layer of M50NiL steel was successfully refined to the sub-micron level. The mechanism for the generation of a large number of sub-micron crystal regions (SMCR) is that dislocations are entangled and linked due to the pinning effect of nanometer-sized carbides. In this study, a stacking fault energy (SFE) model for austenite in M50NiL steel was established. First-principles calculations were employed to investigate the effects of alloying elements, as well as the position and quantity of carbon (C) atoms, on the generalized stacking fault energy (GSFE). The variations in SFE were further analyzed in combination with differential charge density calculations. The simulation results revealed that the addition of alloying elements excluding nickel led to a reduction in the unstable stacking fault energy. Differential charge density analysis indicated that this decrease was associated with the weakening of Fe–Fe bonds in the L0 layer, where stacking faults occurred. When C atoms are interstitially dissolved near the L0 layer, the Fe–Fe bonds near the L0 layer are enhanced, and the unstable stacking fault energy is correspondingly increased. Compared with the pure iron system, the combined effect of alloying elements and C atoms in M50NiL steel maintained a relatively low level of both the unstable stacking fault energy and the stacking fault formation barrier, provided that C atoms were not dissolved in the L1 layer. This condition was favorable for dislocation slip. Meanwhile, the stable stacking fault energy significantly increased, enhancing the stability of austenite. Based on these simulation results, the relationship between the GSFE of austenite in M50NiL steel and the formation of subgrains and twins within the submicron crystalline regions of the carburized layer was discussed. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.3390/ma19061170
    Languages:
      – Code: eng
        Text: English
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      Pagination:
        PageCount: 16
        StartPage: 1170
    Subjects:
      – SubjectFull: Austenite
        Type: general
      – SubjectFull: Carbon
        Type: general
      – SubjectFull: Grain refinement
        Type: general
      – SubjectFull: Carburization
        Type: general
      – SubjectFull: Dislocations in crystals
        Type: general
      – SubjectFull: Alloys
        Type: general
      – SubjectFull: Austenitic steel
        Type: general
    Titles:
      – TitleFull: Calculation of Austenite Generalized Stacking Fault Energy in M50NiL Steel.
        Type: main
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          Name:
            NameFull: Ding, Zifeng
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            NameFull: Guo, Jiaxu
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            NameFull: Zhou, Lina
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            NameFull: Zhang, Xinghong
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            NameFull: Ma, Xinxin
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            – D: 15
              M: 03
              Text: Mar2026
              Type: published
              Y: 2026
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              Value: 19
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            – TitleFull: Materials (1996-1944)
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