** M.W. thanks the financial support of Erasmus Mundus for a research stage at Saarland University within the AMASE master program.
Atomistic Study of Hydrogen Effect on Dislocation Nucleation at Crack Tip†
Article first published online: 29 OCT 2013
© 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Advanced Engineering Materials
Volume 15, Issue 11, pages 1146–1151, November 2013
How to Cite
Wen, M., Li, Z. and Barnoush, A. (2013), Atomistic Study of Hydrogen Effect on Dislocation Nucleation at Crack Tip. Adv. Eng. Mater., 15: 1146–1151. doi: 10.1002/adem.201300123
- Issue published online: 4 NOV 2013
- Article first published online: 29 OCT 2013
- Manuscript Accepted: 7 SEP 2013
- Manuscript Received: 6 APR 2013
- Erasmus Mundus for a research stage at Saarland University within the AMASE master program
By atomistic simulations, we show that H is mainly absorbed on the surface of the crack tip in Ni and reveal that H switches from decreasing the activation energy for dislocation nucleation at low load to increasing it at high load, owing to H-reduced activation volume. This counterintuitive finding explains experimentally observed sharp cracks in the presence of H and provides a new atomistic vision of hydrogen embrittlement.