Average and Local Structures in Hydrogen Absorbing Ti–Cr–Mo Alloy

Abstract

The average and local structures in the (Ti_0.45Cr_0.35Mo_0.20)–D system have been investigated by neutron powder diffraction and total neutron scattering. From the result of neutron powder diffraction, the crystal structure of the system was found to change from CaF₂-type structure to bcc structure in the hydrogen desorption process, and the D atoms occupy the tetrahedral (T) sites in both CaF₂-type and bcc phases. The D–Ti, D–Cr, D–Mo and D–D correlation lengths and the nearest neighbor coordination number around a D atom have been obtained by the RDF analysis of total neutron scattering data. The D atoms occupy the T sites surrounded mainly by the Ti atoms in both CaF₂-type and bcc phases.