A. Biscarini et al., INTERSTITIAL SITE OCCUPANCIES BY H - A STATISTICAL-MODEL OF BLOCKING EFFECTS AND H-TRANSITION-PROBABILITIES IN FCC BINARY-ALLOYS, Physical review. B, Condensed matter, 49(2), 1994, pp. 969-978
Interstitial solid solutions of H in random fcc metal alloys have been
examined in detail as far as the nature of interstitial sites and the
ir spatial correlations are concerned. Both octahedral and tetrahedral
sites have been considered and distinguished on the basis of the atom
ic composition and atomic arrangements within their first shell of nei
ghbors. The conditional probability q(uu)' of finding a site of type u
' as nearest neighbor of a given site of type u were calculated. Expre
ssions for selective blocking factors and occupancy probabilities have
been derived for the approximation of the hard-core model, assuming b
locking of sites at distances smaller than about 0.21 nm from the occu
pied site. The application of the model to the Pd1-yPty system shows t
hat H solubility data can be interpreted on the basis of a site-fillin
g process. Finally, transition probability factors have been estimated
to predict the occurrence of anelastic relaxations.