Hydrogen Embrittlement of High Strength Steels
Hydrogen embrittlement is believed to be one of the main reasons for cracking of structures under stress. High strength steels in these structures often include a ferritic core made of alpha-iron (body centered cubic lattice). We compute the interaction of atomic hydrogen with iron using first principles. The interstitial hydrogen can be placed in two high symmetry positions: octahedral and tetrahedral sites. Our calculations provide diffusion barriers between these sites. These barriers have been analyzed to understand the propagation of hydrogen through the iron lattice. We analyze how these barriers can be modified by the hydrogen concentration. The results show the main site for high and low hydrogen density and they show the diffusion coefficient variation by the hydrogen density.
A. Agüero, J.M. Albella, M.P. Hierro, J. Phillibert and F.J. Pérez Trujillo
J. Sanchez et al., "Hydrogen Embrittlement of High Strength Steels", Defect and Diffusion Forum, Vols. 289-292, pp. 203-209, 2009