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The interaction of dislocations and hydrogen-vacancy complexes and its importance for deformation-induced proto nano-voids formation in α-Fe.

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Title: The interaction of dislocations and hydrogen-vacancy complexes and its importance for deformation-induced proto nano-voids formation in α-Fe.
Authors: Li, Suzhi1,2,3, Li, Yonggang2,4, Lo, Yu-Chieh2, Neeraj, Thirumalai5 neeraj.s.thirumalai@exxonmobil.com, Srinivasan, Rajagopalan5, Ding, Xiangdong1, Sun, Jun1, Qi, Liang2, Gumbsch, Peter3,6, Li, Ju1,2 liju@mit.edu
Source: International Journal of Plasticity. Nov2015, Vol. 74, p175-191. 17p.
Subjects: Vacancy-dislocation interactions, Deformations (Mechanics), Voids (Crystallography), Molecular dynamics, Nucleation, Crystal lattices
Abstract: By using molecular dynamics and cluster dynamics simulations, we probed the role of hydrogen-vacancy complexes on nucleation and growth of proto nano-voids upon dislocation plasticity in α-Fe. Our atomistic simulations reveal that, unlike a lattice vacancy, a hydrogen-vacancy complex is not absorbed by dislocations sweeping through the lattice. Additionally, this complex has lower lattice diffusivity; therefore, it has a lower probability of encountering and being absorbed by various lattice sinks. Hence, it can exist metastably for a rather long time. Our large-scale molecular dynamics simulations show that when metals undergo plastic deformation in the presence of hydrogen at low homologous temperatures, the mechanically driven out-of-equilibrium dislocation processes can produce extremely high concentrations of hydrogen-vacancy complex (10 −5 ∼ 10 −3 ). Under such high concentrations, these complexes prefer to grow by absorbing additional vacancies and act as the embryos for the formation of proto nano-voids. The current work provides one possible route for the experimentally observed nano-void formation in hydrogen embrittlement of steels and bridges atomic-scale events and damage with macroscopic failure. [ABSTRACT FROM AUTHOR]
Copyright of International Journal of Plasticity is the property of Pergamon Press - An Imprint of Elsevier Science 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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DbLabel: Engineering Source
An: 109914935
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  Data: The interaction of dislocations and hydrogen-vacancy complexes and its importance for deformation-induced proto nano-voids formation in α-Fe.
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  Data: <searchLink fieldCode="AR" term="%22Li%2C+Suzhi%22">Li, Suzhi</searchLink><relatesTo>1,2,3</relatesTo><br /><searchLink fieldCode="AR" term="%22Li%2C+Yonggang%22">Li, Yonggang</searchLink><relatesTo>2,4</relatesTo><br /><searchLink fieldCode="AR" term="%22Lo%2C+Yu-Chieh%22">Lo, Yu-Chieh</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Neeraj%2C+Thirumalai%22">Neeraj, Thirumalai</searchLink><relatesTo>5</relatesTo><i> neeraj.s.thirumalai@exxonmobil.com</i><br /><searchLink fieldCode="AR" term="%22Srinivasan%2C+Rajagopalan%22">Srinivasan, Rajagopalan</searchLink><relatesTo>5</relatesTo><br /><searchLink fieldCode="AR" term="%22Ding%2C+Xiangdong%22">Ding, Xiangdong</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Sun%2C+Jun%22">Sun, Jun</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Qi%2C+Liang%22">Qi, Liang</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Gumbsch%2C+Peter%22">Gumbsch, Peter</searchLink><relatesTo>3,6</relatesTo><br /><searchLink fieldCode="AR" term="%22Li%2C+Ju%22">Li, Ju</searchLink><relatesTo>1,2</relatesTo><i> liju@mit.edu</i>
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  Data: <searchLink fieldCode="JN" term="%22International+Journal+of+Plasticity%22">International Journal of Plasticity</searchLink>. Nov2015, Vol. 74, p175-191. 17p.
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  Data: <searchLink fieldCode="DE" term="%22Vacancy-dislocation+interactions%22">Vacancy-dislocation interactions</searchLink><br /><searchLink fieldCode="DE" term="%22Deformations+%28Mechanics%29%22">Deformations (Mechanics)</searchLink><br /><searchLink fieldCode="DE" term="%22Voids+%28Crystallography%29%22">Voids (Crystallography)</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Nucleation%22">Nucleation</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+lattices%22">Crystal lattices</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: By using molecular dynamics and cluster dynamics simulations, we probed the role of hydrogen-vacancy complexes on nucleation and growth of proto nano-voids upon dislocation plasticity in α-Fe. Our atomistic simulations reveal that, unlike a lattice vacancy, a hydrogen-vacancy complex is not absorbed by dislocations sweeping through the lattice. Additionally, this complex has lower lattice diffusivity; therefore, it has a lower probability of encountering and being absorbed by various lattice sinks. Hence, it can exist metastably for a rather long time. Our large-scale molecular dynamics simulations show that when metals undergo plastic deformation in the presence of hydrogen at low homologous temperatures, the mechanically driven out-of-equilibrium dislocation processes can produce extremely high concentrations of hydrogen-vacancy complex (10 −5 ∼ 10 −3 ). Under such high concentrations, these complexes prefer to grow by absorbing additional vacancies and act as the embryos for the formation of proto nano-voids. The current work provides one possible route for the experimentally observed nano-void formation in hydrogen embrittlement of steels and bridges atomic-scale events and damage with macroscopic failure. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of International Journal of Plasticity is the property of Pergamon Press - An Imprint of Elsevier Science 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.ijplas.2015.05.017
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      – Code: eng
        Text: English
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        PageCount: 17
        StartPage: 175
    Subjects:
      – SubjectFull: Vacancy-dislocation interactions
        Type: general
      – SubjectFull: Deformations (Mechanics)
        Type: general
      – SubjectFull: Voids (Crystallography)
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Nucleation
        Type: general
      – SubjectFull: Crystal lattices
        Type: general
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      – TitleFull: The interaction of dislocations and hydrogen-vacancy complexes and its importance for deformation-induced proto nano-voids formation in α-Fe.
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            NameFull: Li, Suzhi
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            – D: 01
              M: 11
              Text: Nov2015
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              Y: 2015
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