A computer simulation technique was suggested for calculating internal friction spectra that were due to the stress-induced diffusion of H atoms in body-centered cubic solid solutions which contained both interstitial and substitutional atoms. Account was taken of the long-range pair-wise interaction of interstitials with each other and with substitutional atoms. This interaction was assumed to produce short-range order in the arrangement of migrating H atoms, and to change the energy of H atoms at both tetrahedral interstitial sites (before a jump) and octahedral interstitial sites (the saddle-points of diffusion barriers). Therefore, such interaction affected H diffusion by producing local changes in the activation energy for diffusion. The relaxation strength was deduced from the local atomic displacement field around each migrating atom.

Hydrogen Diffusion under Stress in Niobium Alloys. M.S.Blanter: Physics of Metals and Metallography, 1998, 86[2], 111-9