Hydrogen-Vacancy Interactions in Fe-C Alloys

Author(s)
Yip, Sidney; Lau, Timothy T.; Monasterio, Paul Rene; Van Vliet, Krystyn J
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Abstract
Energetics and concentrations of hydrogen-containing point defect clusters (PDCs) in Fe-C alloys are calculated and cast into a PDC dominance diagram. Because of the strong binding effects of iron vacancies on the stability of the clusters, hydrogen accumulation requires the total hydrogen and vacancy concentrations to be comparable. As a result of the interplay between repulsive and attractive binding processes, PDC populations in Fe-C-H effectively decouple into the binary systems Fe-C and Fe-H. This results in significant vacancy-hydrogen PDC populations even for low total hydrogen concentrations.
Date issued
2009-08
URI
http://hdl.handle.net/1721.1/51371
Department
Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
Journal
Physical Review Letters
Publisher
American Physical Society
Citation
Monasterio, Paul R. et al. “Hydrogen-Vacancy Interactions in Fe-C Alloys.” Physical Review Letters 103.8 (2009): 085501. (C) 2010 The American Physical Society.
Version: Final published version
ISSN
0031-9007
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