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Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel

Sathiskumar Jothi Orcid Logo, T.N. Croft, S.G.R. Brown, Steve Brown, Nick Croft Orcid Logo

International Journal of Hydrogen Energy, Volume: 39, Issue: 35, Pages: 20671 - 20688

Swansea University Authors: Sathiskumar Jothi Orcid Logo, Steve Brown, Nick Croft Orcid Logo

DOI (Published version): 10.1016/j.ijhydene.2014.07.020

Abstract

Computational techniques and tools have been developed to understand hydrogen embrittlement and hydrogen induced intergranular cracking based on grain boundary (GB) engineering with the help of computational materials engineering. This study can help to optimize GB misorientation configurations by i...

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Published in: International Journal of Hydrogen Energy
Published: 2014
URI: https://cronfa.swan.ac.uk/Record/cronfa18611
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This study can help to optimize GB misorientation configurations by identifying the cases that would improve the material properties increasing resistance to hydrogen embrittlement. In order to understand and optimize, it is important to understand the influence of misorientation angle on the atomic clustered hydrogen distribution under the impact of dilatational stress distributions. In this study, a number of bi-crystal models with tilt grain boundary (TGB) misorientation angles (&#x3B8;) ranging between 0&#xB0;&#x2264; &#x3B8; &#x2264; 90&#xB0; were developed, with rotation performed about the [001] axis, using numerical microstructural finite element analysis. Subsequently, local stress and strain concentrations generated along the TGB (due to the difference in individual neighbouring crystals elastic anisotropy response as functions of misorientation angles) were evaluated when bi-crystals were subjected to overall uniform applied traction. Finally, the hydrogen distribution and segregations as a function of misorientation angles were studied. In real nickel, as opposed to the numerical model, geometrically necessary dislocations are generated due to GB misorientation. The generated dislocation motion along TGBs in response to dilatational mismatch varies depending on the misorientation angles. These generated dislocation motions affect the stress, strain and hydrogen distribution. Hydrogen segregates along these dislocations acting as traps and since the dislocation distribution varies depending on misorientation angles the hydrogen traps are also influenced by misorientation angles. From the results of numerical modelling it has been observed that the local stress, strain and hydrogen distributions are inhomogeneous, affected by the misorientation angles, orientations of neighbouring crystal and boundary conditions. In real material, as opposed to the numerical model, the clustered atomic hydrogens are segregated in traps near to the TGB due to the influence of dislocations developed under the effects of applied mechanical stress. The numerical model predicts maximum hydrogen concentrations are accumulated on the TGB with misorientation angles ranging between 15&#xB0;&amp;#60; &#x3B8; &amp;#60; 45&#xB0;. 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spelling 2017-02-28T15:34:37.8143808 v2 18611 2014-10-06 Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel 6cd28300413d3e63178f0bf7e2130569 0000-0001-7328-1112 Sathiskumar Jothi Sathiskumar Jothi true false 07a865adc76376646bc6c03a69ce35a9 Steve Brown Steve Brown true false 8f82cd0b51f4b95b0dd6fa89427d9fc7 0000-0002-1521-5261 Nick Croft Nick Croft true false 2014-10-06 EEN Computational techniques and tools have been developed to understand hydrogen embrittlement and hydrogen induced intergranular cracking based on grain boundary (GB) engineering with the help of computational materials engineering. This study can help to optimize GB misorientation configurations by identifying the cases that would improve the material properties increasing resistance to hydrogen embrittlement. In order to understand and optimize, it is important to understand the influence of misorientation angle on the atomic clustered hydrogen distribution under the impact of dilatational stress distributions. In this study, a number of bi-crystal models with tilt grain boundary (TGB) misorientation angles (θ) ranging between 0°≤ θ ≤ 90° were developed, with rotation performed about the [001] axis, using numerical microstructural finite element analysis. Subsequently, local stress and strain concentrations generated along the TGB (due to the difference in individual neighbouring crystals elastic anisotropy response as functions of misorientation angles) were evaluated when bi-crystals were subjected to overall uniform applied traction. Finally, the hydrogen distribution and segregations as a function of misorientation angles were studied. In real nickel, as opposed to the numerical model, geometrically necessary dislocations are generated due to GB misorientation. The generated dislocation motion along TGBs in response to dilatational mismatch varies depending on the misorientation angles. These generated dislocation motions affect the stress, strain and hydrogen distribution. Hydrogen segregates along these dislocations acting as traps and since the dislocation distribution varies depending on misorientation angles the hydrogen traps are also influenced by misorientation angles. From the results of numerical modelling it has been observed that the local stress, strain and hydrogen distributions are inhomogeneous, affected by the misorientation angles, orientations of neighbouring crystal and boundary conditions. In real material, as opposed to the numerical model, the clustered atomic hydrogens are segregated in traps near to the TGB due to the influence of dislocations developed under the effects of applied mechanical stress. The numerical model predicts maximum hydrogen concentrations are accumulated on the TGB with misorientation angles ranging between 15°&#60; θ &#60; 45°. This investigation reinforces the importance of GB engineering for designing and optimizing these materials to decrease hydrogen segregation arising from TGB misorientation angles. Journal Article International Journal of Hydrogen Energy 39 35 20671 20688 3 12 2014 2014-12-03 10.1016/j.ijhydene.2014.07.020 COLLEGE NANME Engineering COLLEGE CODE EEN Swansea University 2017-02-28T15:34:37.8143808 2014-10-06T11:36:19.4265526 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised Sathiskumar Jothi 0000-0001-7328-1112 1 T.N. Croft 2 S.G.R. Brown 3 Steve Brown 4 Nick Croft 0000-0002-1521-5261 5 0018611-16042015143632.pdf 2_Paper2_Miorientation_effect_on_HE_BiCrystal_Full.pdf 2015-04-16T14:36:32.7500000 Output 1429980 application/pdf Accepted Manuscript true 2015-04-16T00:00:00.0000000 false
title Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel
spellingShingle Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel
Sathiskumar Jothi
Steve Brown
Nick Croft
title_short Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel
title_full Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel
title_fullStr Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel
title_full_unstemmed Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel
title_sort Influence of grain boundary misorientation on hydrogen embrittlement in bi-crystal nickel
author_id_str_mv 6cd28300413d3e63178f0bf7e2130569
07a865adc76376646bc6c03a69ce35a9
8f82cd0b51f4b95b0dd6fa89427d9fc7
author_id_fullname_str_mv 6cd28300413d3e63178f0bf7e2130569_***_Sathiskumar Jothi
07a865adc76376646bc6c03a69ce35a9_***_Steve Brown
8f82cd0b51f4b95b0dd6fa89427d9fc7_***_Nick Croft
author Sathiskumar Jothi
Steve Brown
Nick Croft
author2 Sathiskumar Jothi
T.N. Croft
S.G.R. Brown
Steve Brown
Nick Croft
format Journal article
container_title International Journal of Hydrogen Energy
container_volume 39
container_issue 35
container_start_page 20671
publishDate 2014
institution Swansea University
doi_str_mv 10.1016/j.ijhydene.2014.07.020
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Uncategorised{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Uncategorised
document_store_str 1
active_str 0
description Computational techniques and tools have been developed to understand hydrogen embrittlement and hydrogen induced intergranular cracking based on grain boundary (GB) engineering with the help of computational materials engineering. This study can help to optimize GB misorientation configurations by identifying the cases that would improve the material properties increasing resistance to hydrogen embrittlement. In order to understand and optimize, it is important to understand the influence of misorientation angle on the atomic clustered hydrogen distribution under the impact of dilatational stress distributions. In this study, a number of bi-crystal models with tilt grain boundary (TGB) misorientation angles (θ) ranging between 0°≤ θ ≤ 90° were developed, with rotation performed about the [001] axis, using numerical microstructural finite element analysis. Subsequently, local stress and strain concentrations generated along the TGB (due to the difference in individual neighbouring crystals elastic anisotropy response as functions of misorientation angles) were evaluated when bi-crystals were subjected to overall uniform applied traction. Finally, the hydrogen distribution and segregations as a function of misorientation angles were studied. In real nickel, as opposed to the numerical model, geometrically necessary dislocations are generated due to GB misorientation. The generated dislocation motion along TGBs in response to dilatational mismatch varies depending on the misorientation angles. These generated dislocation motions affect the stress, strain and hydrogen distribution. Hydrogen segregates along these dislocations acting as traps and since the dislocation distribution varies depending on misorientation angles the hydrogen traps are also influenced by misorientation angles. From the results of numerical modelling it has been observed that the local stress, strain and hydrogen distributions are inhomogeneous, affected by the misorientation angles, orientations of neighbouring crystal and boundary conditions. In real material, as opposed to the numerical model, the clustered atomic hydrogens are segregated in traps near to the TGB due to the influence of dislocations developed under the effects of applied mechanical stress. The numerical model predicts maximum hydrogen concentrations are accumulated on the TGB with misorientation angles ranging between 15°&#60; θ &#60; 45°. This investigation reinforces the importance of GB engineering for designing and optimizing these materials to decrease hydrogen segregation arising from TGB misorientation angles.
published_date 2014-12-03T03:21:50Z
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score 11.016235

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