Abnormal trapping of hydrogen in the elastic stress field of dislocations in body-centered cubic iron
It has been widely accepted that the tetrahedral interstitial site is the normal lattice trapping site for H atoms in the body-centered cubic iron. In this work, we found H trapped in a tetrahedral site is unstable in the dislocation elastic stress field. By contrast, the octahedral site is energetically preferred. This abnormal trapping phenomenon was rooted in the H-dislocation elastic interaction and zero-point quantum vibration of the H atom. At the abnormal trapping state, the interaction between H-edge dislocation and H-screw dislocation was identified to be at a similar level. As a result, the diffusivity of H around dislocation is enhanced by the abnormal trapping, and the local H content is much higher than the prediction with the assumption of normal trapping. Our results suggest that the dislocation motion can shuffle the trapping position of H atoms and assist the immature failure in the hydrogen environment.
First ; Corresponding
Science, Technology and Innovation Commission of Shenzhen Municipality[JCYJ20210324104414040, GJHZ20200731095213039,];Science, Technology and Innovation Commission of Shenzhen Municipality[KQTD2019092917250571];
|WOS Research Area|
Chemistry ; Electrochemistry ; Energy & Fuels
Chemistry, Physical ; Electrochemistry ; Energy & Fuels
|WOS Accession No|
|ESI Research Field|
Cited Times [WOS]:3
|Document Type||Journal Article|
|Department||Department of Mechanical and Energy Engineering|
1.Department of Mechanical and Energy Engineering,Southern University of Science and Technology,Shenzhen,Guangdong,518055,China
2.State Key Lab of Mechanics and Control of Mechanical Structures & College of Aerospace Engineering & Institute of Frontier Science,Nanjing University of Aeronautics and Astronautics (NUAA),Nanjing,210016,China
|First Author Affilication||Department of Mechanical and Energy Engineering|
|Corresponding Author Affilication||Department of Mechanical and Energy Engineering|
|First Author's First Affilication||Department of Mechanical and Energy Engineering|
Zheng，Zhilin,Yi，Min,Wang，Shuai. Abnormal trapping of hydrogen in the elastic stress field of dislocations in body-centered cubic iron[J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,2022,47(92).
Zheng，Zhilin,Yi，Min,&Wang，Shuai.(2022).Abnormal trapping of hydrogen in the elastic stress field of dislocations in body-centered cubic iron.INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,47(92).
Zheng，Zhilin,et al."Abnormal trapping of hydrogen in the elastic stress field of dislocations in body-centered cubic iron".INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 47.92(2022).
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