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Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study.

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Title: Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study.
Authors: Hatami, F.1, Feghhi, S.A.H.1 a.feghhi@gmail.com, Arjhangmehr, A.1 ms.arjangmehr@gmail.com, Esfandiarpour, A.1
Source: Journal of Nuclear Materials. Nov2016, Vol. 480, p362-373. 12p.
Subjects: Cascades (Fluid dynamics), Crystal grain boundaries, Zirconium compounds, Effective interactions (Nuclear physics), Ion bombardment, Crystal structure
Abstract: In this paper, we investigate interaction of primary cascades with grain boundaries (GBs) in α-Zr using the atomistic-scale simulations, and intend to study the influence of different GB structures on production and evolution of defects on picosecond timescale. We observe that, contrary to the previous results in cubic metals, GBs in α-Zr are not necessarily biased toward interstitials, and can preferentially absorb vacancies. Further, in terms of energetic and kinetic behavior, we find that GBs act as defect sinks due to the substantial reduction of defect formation energies and migration barriers in close vicinity of the GB center, with either a preference toward interstitials or vacancies which depends on the atomic structure of the boundaries. Finally, using continuous ion bombardment, we investigate the stability of GBs in sever irradiation environment. The results indicate that the sink strength and efficiency of boundaries varies with increasing accumulated defects in GB region. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Nuclear Materials is the property of Elsevier B.V. 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.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 118235867
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study.
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  Data: <searchLink fieldCode="AR" term="%22Hatami%2C+F%2E%22">Hatami, F.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Feghhi%2C+S%2EA%2EH%2E%22">Feghhi, S.A.H.</searchLink><relatesTo>1</relatesTo><i> a.feghhi@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Arjhangmehr%2C+A%2E%22">Arjhangmehr, A.</searchLink><relatesTo>1</relatesTo><i> ms.arjangmehr@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Esfandiarpour%2C+A%2E%22">Esfandiarpour, A.</searchLink><relatesTo>1</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Nuclear+Materials%22">Journal of Nuclear Materials</searchLink>. Nov2016, Vol. 480, p362-373. 12p.
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  Data: <searchLink fieldCode="DE" term="%22Cascades+%28Fluid+dynamics%29%22">Cascades (Fluid dynamics)</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+grain+boundaries%22">Crystal grain boundaries</searchLink><br /><searchLink fieldCode="DE" term="%22Zirconium+compounds%22">Zirconium compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Effective+interactions+%28Nuclear+physics%29%22">Effective interactions (Nuclear physics)</searchLink><br /><searchLink fieldCode="DE" term="%22Ion+bombardment%22">Ion bombardment</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink>
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  Label: Abstract
  Group: Ab
  Data: In this paper, we investigate interaction of primary cascades with grain boundaries (GBs) in α-Zr using the atomistic-scale simulations, and intend to study the influence of different GB structures on production and evolution of defects on picosecond timescale. We observe that, contrary to the previous results in cubic metals, GBs in α-Zr are not necessarily biased toward interstitials, and can preferentially absorb vacancies. Further, in terms of energetic and kinetic behavior, we find that GBs act as defect sinks due to the substantial reduction of defect formation energies and migration barriers in close vicinity of the GB center, with either a preference toward interstitials or vacancies which depends on the atomic structure of the boundaries. Finally, using continuous ion bombardment, we investigate the stability of GBs in sever irradiation environment. The results indicate that the sink strength and efficiency of boundaries varies with increasing accumulated defects in GB region. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Nuclear Materials is the property of Elsevier B.V. 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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      – Type: doi
        Value: 10.1016/j.jnucmat.2016.05.036
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 12
        StartPage: 362
    Subjects:
      – SubjectFull: Cascades (Fluid dynamics)
        Type: general
      – SubjectFull: Crystal grain boundaries
        Type: general
      – SubjectFull: Zirconium compounds
        Type: general
      – SubjectFull: Effective interactions (Nuclear physics)
        Type: general
      – SubjectFull: Ion bombardment
        Type: general
      – SubjectFull: Crystal structure
        Type: general
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      – TitleFull: Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study.
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            NameFull: Arjhangmehr, A.
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            NameFull: Esfandiarpour, A.
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              M: 11
              Text: Nov2016
              Type: published
              Y: 2016
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              Value: 480
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