Molecular statics analyses were made of the H-trap energy around a {112}<111> edge dislocation in alpha Fe. The distribution of H in crystals was generally assumed to be dominated by hydrostatic stress. However, the molecular statics

results indicated that the H-trap energy was sensitive to shear stress as well as hydrostatic stress, thus indicating that strong trap sites were distributed across a wide range on the slip plane around the dislocation core. Molecular dynamics simulations were also made of H diffusion, and this revealed the anisotropic diffusion behaviour of H around the dislocation core.

Atomistic Study of Hydrogen Distribution and Diffusion around a {112}<111> Edge Dislocation in Alpha Iron. S.Taketomi, R.Matsumoto, N.Miyazaki: Acta Materialia, 2008, 56[15], 3761-9