Interaction of Hydrogen Atom with Edge Dislocation in Pd and Ni
The energy characteristics of interaction of hydrogen impurity with ½<110> edge dislocation in Pd and Ni were calculated by the method of molecular dynamics. It is shown that the dislocation is effective trap for hydrogen. At the same time the dislocation jogs increases its sorption capacity with respect to hydrogen, but reduces the diffusion mobility of hydrogen along the dislocation. The diffusion of hydrogen atoms in the dislocation region occurs mainly along the dislocation core. The energy of hydrogen migration along the dislocation, as our calculations have shown, is almost two times lower than in a defect-free crystal.
Mikhail D. Starostenkov, Aleksandr I. Potekaev, Sergey V. Dmitriev and Prof. P. Ya. Tabakov
I. V. Zorya et al., "Interaction of Hydrogen Atom with Edge Dislocation in Pd and Ni", Journal of Metastable and Nanocrystalline Materials, Vol. 30, pp. 46-51, 2018