The understanding of hydrogen embrittlement (HE) is of significant importance and fundamental interest owing to its negative effects on industrial metallic materials. The effect of solute H on the void coalescence and growth needs to be clarified. Using molecular dynamics simulation, the evolution of preexisting nano voids is studied in the presence of H atoms. As the per unit area concentration of trapped H atom on void surface reaches 0.45 /Å2, the movement of void is observed. It proceeds along with the interdiffusion of H and Fe atoms around the voids. Strain-mediated diffusion of H atoms from void surface to the zone between nearest voids occurs at first. Then the Fe atoms are affected by migrated H and diffuse in the opposite direction following the principle of energy minimization. Such mechanism can help us understand the formation of high pressure bubble at nano scale. Based on this useful information, some methods could be obtained to prevent the growth of voids further, such as strengthening the stability of metal lattice around voids by dopant etc.
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ASME 2017 Pressure Vessels and Piping Conference
July 16–20, 2017
Waikoloa, Hawaii, USA
Conference Sponsors:
- Pressure Vessels and Piping Division
ISBN:
978-0-7918-5791-5
PROCEEDINGS PAPER
Molecular Dynamics Simulation of Hydrogen-Activated Coalescence and Growth of Nano-Voids
Yao-Ting Zheng,
Yao-Ting Zheng
Xi'an Jiaotong University, Xi’an, China
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Zaoxiao Zhang,
Zaoxiao Zhang
Xi'an Jiaotong University, Xi’an, China
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Guang-xu Cheng,
Guang-xu Cheng
Xi'an Jiaotong University, Xi’an, China
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Fu-Zhen Xuan,
Fu-Zhen Xuan
East China University of Science and Technology, Shanghai, China
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Zhengdong Wang
Zhengdong Wang
East China University of Science and Technology, Shanghai, China
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Yao-Ting Zheng
Xi'an Jiaotong University, Xi’an, China
Zaoxiao Zhang
Xi'an Jiaotong University, Xi’an, China
Guang-xu Cheng
Xi'an Jiaotong University, Xi’an, China
Fu-Zhen Xuan
East China University of Science and Technology, Shanghai, China
Zhengdong Wang
East China University of Science and Technology, Shanghai, China
Paper No:
PVP2017-65577, V01BT01A030; 4 pages
Published Online:
October 26, 2017
Citation
Zheng, Y, Zhang, Z, Cheng, G, Xuan, F, & Wang, Z. "Molecular Dynamics Simulation of Hydrogen-Activated Coalescence and Growth of Nano-Voids." Proceedings of the ASME 2017 Pressure Vessels and Piping Conference. Volume 1B: Codes and Standards. Waikoloa, Hawaii, USA. July 16–20, 2017. V01BT01A030. ASME. https://doi.org/10.1115/PVP2017-65577
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