Document Detail

Atomic mechanism and prediction of hydrogen embrittlement in iron.
MedLine Citation:
PMID:  23142843     Owner:  NLM     Status:  Publisher    
Hydrogen embrittlement in metals has posed a serious obstacle to designing strong and reliable structural materials for many decades, and predictive physical mechanisms still do not exist. Here, a new H embrittlement mechanism operating at the atomic scale in α-iron is demonstrated. Direct molecular dynamics simulations reveal a ductile-to-brittle transition caused by the suppression of dislocation emission at the crack tip due to aggregation of H, which then permits brittle-cleavage failure followed by slow crack growth. The atomistic embrittlement mechanism is then connected to material states and loading conditions through a kinetic model for H delivery to the crack-tip region. Parameter-free predictions of embrittlement thresholds in Fe-based steels over a range of H concentrations, mechanical loading rates and H diffusion rates are found to be in excellent agreement with experiments. This work provides a mechanistic, predictive framework for interpreting experiments, designing structural components and guiding the design of embrittlement-resistant materials.
Jun Song; W A Curtin
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-11-11
Journal Detail:
Title:  Nature materials     Volume:  -     ISSN:  1476-1122     ISO Abbreviation:  Nat Mater     Publication Date:  2012 Nov 
Date Detail:
Created Date:  2012-11-12     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101155473     Medline TA:  Nat Mater     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Materials Engineering, McGill University, Montreal, Quebec H3A 2B2, Canada.
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