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Atomistic Study of Hydrogen Effect on Dislocation Nucleation at Crack Tip
Author(s) -
Wen Mao,
Li Zhiyuan,
Barnoush Afrooz
Publication year - 2013
Publication title -
advanced engineering materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.938
H-Index - 114
eISSN - 1527-2648
pISSN - 1438-1656
DOI - 10.1002/adem.201300123
Subject(s) - nucleation , materials science , dislocation , hydrogen embrittlement , embrittlement , hydrogen , activation energy , volume (thermodynamics) , chemical physics , composite material , crystallography , thermodynamics , chemistry , corrosion , physics , organic chemistry
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.