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Theoretical Analysis of Stacking Fault Energy, Elastic Properties, Electronic Properties, and Work Function of Mn x CoCrFeNi High-Entropy Alloy.

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Title: Theoretical Analysis of Stacking Fault Energy, Elastic Properties, Electronic Properties, and Work Function of Mn x CoCrFeNi High-Entropy Alloy.
Authors: Sun, Fenger1,2 (AUTHOR) sunfengr@126.com, Zhang, Guowei2 (AUTHOR), Xu, Hong2 (AUTHOR), Li, Dongyang3 (AUTHOR), Fu, Yizheng2 (AUTHOR)
Source: Materials (1996-1944). Sep2024, Vol. 17 Issue 17, p4378. 16p.
Subjects: Electron work function, Elasticity, Lead alloys, Material plasticity, Density functional theory
Abstract: The effects of different Mn concentrations on the generalized stacking fault energies (GSFE) and elastic properties of MnxCoCrFeNi high-entropy alloys (HEAs) have been studied via first-principles, which are based on density functional theory. The relationship of different Mn concentrations with the chemical bond and surface activity of MnxCoCrFeNi HEAs are discussed from the perspectives of electronic structure and work function. The results show that the plastic deformation of MnxCoCrFeNi HEAs can be controlled via dislocation-mediated slip. But with the increase in Mn concentration, mechanical micro twinning can still be formed. The deformation resistance, shear resistance, and stiffness of MnxCoCrFeNi HEAs increase with the enhancement of Mn content. Accordingly, in the case of increased Mn concentration, the weakening of atomic bonds in MnxCoCrFeNi HEAs leads to the increase in alloy instability, which improves the possibility of dislocation. [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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  Data: Theoretical Analysis of Stacking Fault Energy, Elastic Properties, Electronic Properties, and Work Function of Mn x CoCrFeNi High-Entropy Alloy.
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  Data: <searchLink fieldCode="JN" term="%22Materials+%281996-1944%29%22">Materials (1996-1944)</searchLink>. Sep2024, Vol. 17 Issue 17, p4378. 16p.
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  Data: <searchLink fieldCode="DE" term="%22Electron+work+function%22">Electron work function</searchLink><br /><searchLink fieldCode="DE" term="%22Elasticity%22">Elasticity</searchLink><br /><searchLink fieldCode="DE" term="%22Lead+alloys%22">Lead alloys</searchLink><br /><searchLink fieldCode="DE" term="%22Material+plasticity%22">Material plasticity</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink>
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  Data: The effects of different Mn concentrations on the generalized stacking fault energies (GSFE) and elastic properties of MnxCoCrFeNi high-entropy alloys (HEAs) have been studied via first-principles, which are based on density functional theory. The relationship of different Mn concentrations with the chemical bond and surface activity of MnxCoCrFeNi HEAs are discussed from the perspectives of electronic structure and work function. The results show that the plastic deformation of MnxCoCrFeNi HEAs can be controlled via dislocation-mediated slip. But with the increase in Mn concentration, mechanical micro twinning can still be formed. The deformation resistance, shear resistance, and stiffness of MnxCoCrFeNi HEAs increase with the enhancement of Mn content. Accordingly, in the case of increased Mn concentration, the weakening of atomic bonds in MnxCoCrFeNi HEAs leads to the increase in alloy instability, which improves the possibility of dislocation. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  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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        Value: 10.3390/ma17174378
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        Text: English
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        Type: general
      – SubjectFull: Elasticity
        Type: general
      – SubjectFull: Lead alloys
        Type: general
      – SubjectFull: Material plasticity
        Type: general
      – SubjectFull: Density functional theory
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      – TitleFull: Theoretical Analysis of Stacking Fault Energy, Elastic Properties, Electronic Properties, and Work Function of Mn x CoCrFeNi High-Entropy Alloy.
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            – D: 01
              M: 09
              Text: Sep2024
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              Y: 2024
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