Finite-element studies, based upon interatomic forces, were made of the lattice distortions that were caused by H in interstitial sites. In contrast to previous studies of this type, the parameters which were used in the present model were the elastic constants of the host lattice, the lattice parameter, and the minimum potential energy distance between the host lattice atoms and the interstitial atom. A major advantage of the present model was that the displacement of even an nth-nearest neighbor of the occupied interstitial site could be calculated.

K.S.Rao, R.Balasubramaniam: International Journal of Hydrogen Energy, 1996, 21[7], 563-9