Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity: A first-principles study
P. Kumar, P. Garg, K. N. Solanki, I. Adlakha
Engineering, Ira A. Fulton Schools of (IAFSE)
Hydrogen embrittlement limits the service life of various metallic components by causing a transition from a ductile to a brittle failure of inherently ductile alloys. In this work, using first-principles calculations, the effect of interstitial hydrogen on the ideal shear strength across various metals (Al, Ni, Fe, Nb, Ti, and Zr) and its implications on plasticity are discussed. The presence of hydrogen led to a volumetric expansion, which in turn had a key role in the observed shear strength response of cubic metals. However, in the case of HCP metals, the chemical contributions also have a significant part in the observed shear strength response. The interstitial hydrogen atom interacts strongly with valence d orbital metals (Ni, Fe, Nb, Ti, and Zr). Based on the Peierls-Nabarro framework, the presence of interstitial hydrogen reduces the Peierls stress across all the metals examined here. Finally, these findings provide insights to comprehensively understand hydrogen embrittlement.
International Journal of Hydrogen Energy
Published - Jul 21 2021
First-principles
10.1016/j.ijhydene.2021.05.068
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shear strength Physics & Astronomy 100%
Shear strength Engineering & Materials Science 85%
Plasticity Engineering & Materials Science 81%
plastic properties Physics & Astronomy 81%
Hydrogen Engineering & Materials Science 69%
hydrogen Physics & Astronomy 53%
hydrogen embrittlement Physics & Astronomy 45%
Kumar, P., Garg, P., Solanki, K. N., & Adlakha, I. (2021). Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity: A first-principles study. International Journal of Hydrogen Energy, 46(50), 25726-25737. https://doi.org/10.1016/j.ijhydene.2021.05.068
Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity : A first-principles study. / Kumar, P.; Garg, P.; Solanki, K. N. et al.
In: International Journal of Hydrogen Energy, Vol. 46, No. 50, 21.07.2021, p. 25726-25737.
Kumar, P, Garg, P, Solanki, KN & Adlakha, I 2021, 'Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity: A first-principles study', International Journal of Hydrogen Energy, vol. 46, no. 50, pp. 25726-25737. https://doi.org/10.1016/j.ijhydene.2021.05.068
Kumar P, Garg P, Solanki KN, Adlakha I. Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity: A first-principles study. International Journal of Hydrogen Energy. 2021 Jul 21;46(50):25726-25737. doi: 10.1016/j.ijhydene.2021.05.068
Kumar, P. ; Garg, P. ; Solanki, K. N. et al. / Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity : A first-principles study. In: International Journal of Hydrogen Energy. 2021 ; Vol. 46, No. 50. pp. 25726-25737.
@article{179ad1dff465456492cbd33d51da21a2,
title = "Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity: A first-principles study",
abstract = "Hydrogen embrittlement limits the service life of various metallic components by causing a transition from a ductile to a brittle failure of inherently ductile alloys. In this work, using first-principles calculations, the effect of interstitial hydrogen on the ideal shear strength across various metals (Al, Ni, Fe, Nb, Ti, and Zr) and its implications on plasticity are discussed. The presence of hydrogen led to a volumetric expansion, which in turn had a key role in the observed shear strength response of cubic metals. However, in the case of HCP metals, the chemical contributions also have a significant part in the observed shear strength response. The interstitial hydrogen atom interacts strongly with valence d orbital metals (Ni, Fe, Nb, Ti, and Zr). Based on the Peierls-Nabarro framework, the presence of interstitial hydrogen reduces the Peierls stress across all the metals examined here. Finally, these findings provide insights to comprehensively understand hydrogen embrittlement.",
keywords = "First-principles, Hydrogen, Plasticity, Shear strength",
author = "P. Kumar and P. Garg and Solanki, {K. N.} and I. Adlakha",
note = "Funding Information: PK, PG, KNS, and IA acknowledge the use of HPCE facilities at IIT Madras and Arizona State University. PK and IA gratefully acknowledge the support from the Department of Science and Technology , India under the early career research award (program contract ECR/2018/001100 ) and Indian Institute of Technology Madras through the Institute of Eminence grant ( SB20210850MMMHRD008275 and SB20210794MMMHRD008925 ). Additionally, PG and KNS gratefully acknowledge the support from the Office of Naval Research under contract N00014-16-1-2174 . Funding Information: PK, PG, KNS, and IA acknowledge the use of HPCE facilities at IIT Madras and Arizona State University. PK and IA gratefully acknowledge the support from the Department of Science and Technology, India under the early career research award (program contract ECR/2018/001100) and Indian Institute of Technology Madras through the Institute of Eminence grant (SB20210850MMMHRD008275 and SB20210794MMMHRD008925). Additionally, PG and KNS gratefully acknowledge the support from the Office of Naval Research under contract N00014-16-1-2174. Publisher Copyright: {\textcopyright} 2021 Hydrogen Energy Publications LLC",
doi = "10.1016/j.ijhydene.2021.05.068",
T1 - Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity
T2 - A first-principles study
AU - Kumar, P.
AU - Garg, P.
AU - Solanki, K. N.
AU - Adlakha, I.
N1 - Funding Information: PK, PG, KNS, and IA acknowledge the use of HPCE facilities at IIT Madras and Arizona State University. PK and IA gratefully acknowledge the support from the Department of Science and Technology , India under the early career research award (program contract ECR/2018/001100 ) and Indian Institute of Technology Madras through the Institute of Eminence grant ( SB20210850MMMHRD008275 and SB20210794MMMHRD008925 ). Additionally, PG and KNS gratefully acknowledge the support from the Office of Naval Research under contract N00014-16-1-2174 . Funding Information: PK, PG, KNS, and IA acknowledge the use of HPCE facilities at IIT Madras and Arizona State University. PK and IA gratefully acknowledge the support from the Department of Science and Technology, India under the early career research award (program contract ECR/2018/001100) and Indian Institute of Technology Madras through the Institute of Eminence grant (SB20210850MMMHRD008275 and SB20210794MMMHRD008925). Additionally, PG and KNS gratefully acknowledge the support from the Office of Naval Research under contract N00014-16-1-2174. Publisher Copyright: © 2021 Hydrogen Energy Publications LLC
N2 - Hydrogen embrittlement limits the service life of various metallic components by causing a transition from a ductile to a brittle failure of inherently ductile alloys. In this work, using first-principles calculations, the effect of interstitial hydrogen on the ideal shear strength across various metals (Al, Ni, Fe, Nb, Ti, and Zr) and its implications on plasticity are discussed. The presence of hydrogen led to a volumetric expansion, which in turn had a key role in the observed shear strength response of cubic metals. However, in the case of HCP metals, the chemical contributions also have a significant part in the observed shear strength response. The interstitial hydrogen atom interacts strongly with valence d orbital metals (Ni, Fe, Nb, Ti, and Zr). Based on the Peierls-Nabarro framework, the presence of interstitial hydrogen reduces the Peierls stress across all the metals examined here. Finally, these findings provide insights to comprehensively understand hydrogen embrittlement.
AB - Hydrogen embrittlement limits the service life of various metallic components by causing a transition from a ductile to a brittle failure of inherently ductile alloys. In this work, using first-principles calculations, the effect of interstitial hydrogen on the ideal shear strength across various metals (Al, Ni, Fe, Nb, Ti, and Zr) and its implications on plasticity are discussed. The presence of hydrogen led to a volumetric expansion, which in turn had a key role in the observed shear strength response of cubic metals. However, in the case of HCP metals, the chemical contributions also have a significant part in the observed shear strength response. The interstitial hydrogen atom interacts strongly with valence d orbital metals (Ni, Fe, Nb, Ti, and Zr). Based on the Peierls-Nabarro framework, the presence of interstitial hydrogen reduces the Peierls stress across all the metals examined here. Finally, these findings provide insights to comprehensively understand hydrogen embrittlement.
KW - First-principles
KW - Hydrogen
KW - Plasticity
KW - Shear strength
U2 - 10.1016/j.ijhydene.2021.05.068
DO - 10.1016/j.ijhydene.2021.05.068
JO - International Journal of Hydrogen Energy
JF - International Journal of Hydrogen Energy