Atomic-scale study on the deformation mechanism of nanofabrication in nickel-based single-crystal superalloys embedded with NbC particles.

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Title: Atomic-scale study on the deformation mechanism of nanofabrication in nickel-based single-crystal superalloys embedded with NbC particles.
Authors: Song, Bo1 (AUTHOR), Shi, Wentao1 (AUTHOR), Lu, Qiang1 (AUTHOR), Zheng, Min1 (AUTHOR), Chen, Weihua1 (AUTHOR), Zhu, Zongxiao1 (AUTHOR) zhuzongxiaolut@163.com
Source: Applied Physics A: Materials Science & Processing. Apr2025, Vol. 131 Issue 4, p1-15. 15p.
Subjects: Dislocation nucleation, Precipitation (Chemistry), Atomic displacements, Stress concentration, Molecular dynamics
Abstract: This paper focuses on the study of nanofabricated deformation mechanisms of nickel-based single crystal high temperature alloys embedded with NbC particles. The mechanical properties, defect evolution, atomic displacement, shear strain, temperature change and atomic precipitation behaviour of the alloy during nanofabrication are deeply investigated through molecular dynamics simulations. It was found that when the tool machined NbC particles on the substrate surface, it experienced lower tangential forces and friction coefficients compared to when machining NbC particles in the sub-surface position. In the latter case, the NbC particles effectively hindered defect development, leading to a significant increase in temperature. Analysis of atomic displacement trends, shear strain, and Von Mises strain revealed that NbC particles provide better protection to the composite's interior when located beneath the surface rather than on the surface. Additionally, the heterointerface between NbC particles and the nickel matrix can cause local stress concentration, promoting dislocation nucleation. With continuous energy input during machining, dislocation accumulation occurs, significantly enhancing the alloy's resistance to deformation. This study provides atomic-scale insights into understanding the effect of NbC particles on the nanofabrication properties of nickel-based high-temperature alloys. [ABSTRACT FROM AUTHOR]
Copyright of Applied Physics A: Materials Science & Processing is the property of Springer Nature 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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  Label: Title
  Group: Ti
  Data: Atomic-scale study on the deformation mechanism of nanofabrication in nickel-based single-crystal superalloys embedded with NbC particles.
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  Data: <searchLink fieldCode="AR" term="%22Song%2C+Bo%22">Song, Bo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Shi%2C+Wentao%22">Shi, Wentao</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lu%2C+Qiang%22">Lu, Qiang</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zheng%2C+Min%22">Zheng, Min</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chen%2C+Weihua%22">Chen, Weihua</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhu%2C+Zongxiao%22">Zhu, Zongxiao</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> zhuzongxiaolut@163.com</i>
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  Data: <searchLink fieldCode="JN" term="%22Applied+Physics+A%3A+Materials+Science+%26+Processing%22">Applied Physics A: Materials Science & Processing</searchLink>. Apr2025, Vol. 131 Issue 4, p1-15. 15p.
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  Data: <searchLink fieldCode="DE" term="%22Dislocation+nucleation%22">Dislocation nucleation</searchLink><br /><searchLink fieldCode="DE" term="%22Precipitation+%28Chemistry%29%22">Precipitation (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Atomic+displacements%22">Atomic displacements</searchLink><br /><searchLink fieldCode="DE" term="%22Stress+concentration%22">Stress concentration</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: This paper focuses on the study of nanofabricated deformation mechanisms of nickel-based single crystal high temperature alloys embedded with NbC particles. The mechanical properties, defect evolution, atomic displacement, shear strain, temperature change and atomic precipitation behaviour of the alloy during nanofabrication are deeply investigated through molecular dynamics simulations. It was found that when the tool machined NbC particles on the substrate surface, it experienced lower tangential forces and friction coefficients compared to when machining NbC particles in the sub-surface position. In the latter case, the NbC particles effectively hindered defect development, leading to a significant increase in temperature. Analysis of atomic displacement trends, shear strain, and Von Mises strain revealed that NbC particles provide better protection to the composite's interior when located beneath the surface rather than on the surface. Additionally, the heterointerface between NbC particles and the nickel matrix can cause local stress concentration, promoting dislocation nucleation. With continuous energy input during machining, dislocation accumulation occurs, significantly enhancing the alloy's resistance to deformation. This study provides atomic-scale insights into understanding the effect of NbC particles on the nanofabrication properties of nickel-based high-temperature alloys. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Applied Physics A: Materials Science & Processing is the property of Springer Nature 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: 10.1007/s00339-025-08404-2
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        Text: English
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      – SubjectFull: Dislocation nucleation
        Type: general
      – SubjectFull: Precipitation (Chemistry)
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      – SubjectFull: Atomic displacements
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      – SubjectFull: Stress concentration
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              M: 04
              Text: Apr2025
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              Y: 2025
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