Critical stress for twinning nucleation in CrCoNi-based medium and high entropy alloys
The CrCoNi-based medium and high entropy alloys (MHEAs) have drawn much attention due to their exceptional mechanical properties at cryogenic temperatures. The twinning critical resolved shear stress (CRSS) is a fundamental parameter for evaluating the strength-ductility properties of MHEAs. Here we...
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| Published in | Acta materialia Vol. 149; pp. 388 - 396 |
|---|---|
| Main Authors | , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier Ltd
01.05.2018
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| Subjects | |
| Online Access | Get full text |
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| Abstract | The CrCoNi-based medium and high entropy alloys (MHEAs) have drawn much attention due to their exceptional mechanical properties at cryogenic temperatures. The twinning critical resolved shear stress (CRSS) is a fundamental parameter for evaluating the strength-ductility properties of MHEAs. Here we construct and apply an extended twinning nucleation Peierls-Nabarro (P-N) model to predict the twinning CRSSes of face-centered cubic (FCC) CrCoNi-based MHEAs. The order of the twinning CRSSes of the selected alloys is CrCoNi>CrCoNiMn>CrCoNiFe>CrCoNiFeMn and the values are 291, 277, 274 and 236 MPa, respectively. These theoretical predictions agree very well with the experimental twinning CRSSes of CrCoNi and CrCoNiFeMn accounting for 260±30 and 235±10 MPa, respectively and are perfectly consistent with the strength-ductility properties including yield stress, ultimate tensile stress and uniform elongation for fracture of the FCC CrCoNi-based MHEAs obtained at cryogenic temperatures. The present method offers a first-principle quantum-mechanical tool for optimizing and designing new MHEAs with exceptional mechanical properties.
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| AbstractList | The CrCoNi-based medium and high entropy alloys (MHEAs) have drawn much attention due to their exceptional mechanical properties at cryogenic temperatures. The twinning critical resolved shear stress (CRSS) is a fundamental parameter for evaluating the strength-ductility properties of MHEAs. Here we construct and apply an extended twinning nucleation Peierls-Nabarro (P-N) model to predict the twinning CRSSes of face-centered cubic (FCC) CrCoNi-based MHEAs. The order of the twinning CRSSes of the selected alloys is CrCoNi > CrCoNiMn > CrCoNiFe > CrCoNiFeMn and the values are 291, 277, 274 and 236 MPa, respectively. These theoretical predictions agree very well with the experimental twinning CRSSes of CrCoNi and CrCoNiFeMn accounting for 260 +/- 30 and 235 +/- 10 MPa, respectively and are perfectly consistent with the strength-ductility properties including yield stress, ultimate tensile stress and uniform elongation for fracture of the FCC CrCoNi-based MHEAs obtained at cryogenic temperatures. The present method offers a first-principle quantum-mechanical tool for optimizing and designing new MHEAs with exceptional mechanical properties. The CrCoNi-based medium and high entropy alloys (MHEAs) have drawn much attention due to their exceptional mechanical properties at cryogenic temperatures. The twinning critical resolved shear stress (CRSS) is a fundamental parameter for evaluating the strength-ductility properties of MHEAs. Here we construct and apply an extended twinning nucleation Peierls-Nabarro (P-N) model to predict the twinning CRSSes of face-centered cubic (FCC) CrCoNi-based MHEAs. The order of the twinning CRSSes of the selected alloys is CrCoNi>CrCoNiMn>CrCoNiFe>CrCoNiFeMn and the values are 291, 277, 274 and 236 MPa, respectively. These theoretical predictions agree very well with the experimental twinning CRSSes of CrCoNi and CrCoNiFeMn accounting for 260±30 and 235±10 MPa, respectively and are perfectly consistent with the strength-ductility properties including yield stress, ultimate tensile stress and uniform elongation for fracture of the FCC CrCoNi-based MHEAs obtained at cryogenic temperatures. The present method offers a first-principle quantum-mechanical tool for optimizing and designing new MHEAs with exceptional mechanical properties. [Display omitted] The CrCoNi-based medium and high entropy alloys (MHEAs) have drawn much attention due to their exceptional mechanical properties at cryogenic temperatures. The twinning critical resolved shear stress (CRSS) is a fundamental parameter for evaluating the strength-ductility properties of MHEAs. Here we construct and apply an extended twinning nucleation Peierls-Nabarro (P-N) model to predict the twinning CRSSes of face-centered cubic (FCC) CrCoNi-based MHEAs. The order of the twinning CRSSes of the selected alloys is CrCoNi > CrCoNiMn > CrCoNiFe > CrCoNiFeMn and the values are 291, 277, 274 and 236 MPa, respectively. These theoretical predictions agree very well with the experimental twinning CRSSes of CrCoNi and CrCoNiFeMn accounting for 260 +/- 30 and 235 +/- 10 MPa, respectively and are perfectly consistent with the strength-ductility properties including yield stress, ultimate tensile stress and uniform elongation for fracture of the FCC CrCoNi-based MHEAs obtained at cryogenic temperatures. The present method offers a first-principle quantum-mechanical tool for optimizing and designing new MHEAs with exceptional mechanical properties. |
| Author | Vitos, Levente Huang, Shuo Huang, He Li, Xiaoqing Li, Wei Meng, Daqiao Lai, Xinchun Dong, Zhihua Liu, Tianwei Zhu, Shengfa |
| Author_xml | – sequence: 1 givenname: He surname: Huang fullname: Huang, He email: hehua@kth.se organization: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-10044, Sweden – sequence: 2 givenname: Xiaoqing surname: Li fullname: Li, Xiaoqing organization: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-10044, Sweden – sequence: 3 givenname: Zhihua surname: Dong fullname: Dong, Zhihua organization: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-10044, Sweden – sequence: 4 givenname: Wei surname: Li fullname: Li, Wei organization: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-10044, Sweden – sequence: 5 givenname: Shuo surname: Huang fullname: Huang, Shuo organization: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-10044, Sweden – sequence: 6 givenname: Daqiao surname: Meng fullname: Meng, Daqiao email: mengdaqiao@caep.cn organization: Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621900, PR China – sequence: 7 givenname: Xinchun surname: Lai fullname: Lai, Xinchun organization: Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621900, PR China – sequence: 8 givenname: Tianwei surname: Liu fullname: Liu, Tianwei organization: Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621900, PR China – sequence: 9 givenname: Shengfa surname: Zhu fullname: Zhu, Shengfa organization: Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621900, PR China – sequence: 10 givenname: Levente orcidid: 0000-0003-2832-3293 surname: Vitos fullname: Vitos, Levente email: levente@kth.se organization: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-10044, Sweden |
| BackLink | https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-227752$$DView record from Swedish Publication Index https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-356197$$DView record from Swedish Publication Index |
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| Snippet | The CrCoNi-based medium and high entropy alloys (MHEAs) have drawn much attention due to their exceptional mechanical properties at cryogenic temperatures. The... |
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| SubjectTerms | Critical resolved shear stress (CRSS) Density functional theory Medium and high entropy alloys (MHEAs) Twinning nucleation |
| Title | Critical stress for twinning nucleation in CrCoNi-based medium and high entropy alloys |
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