Phase equilibria and structural stability of intermetallics in the PtPdHf and PtPdZr systems

First-principles studies of structural stabilities and enthalpies of formation of refractory intermetallics: TM and TM3 (T = Ti, Zr, Hf; M = Ru, Rh, Pd, Os, Ir, Pt)

“…At high temperature, all these three compounds were reported to have the B2 structure [32,37,42,44,60]. Our calculations ( Table 2) confirm the observed trends of ground state phase stability: the B33 and B19 phases are equally stable for TiPt, whereas the B33 is the most stable phase for both ZrPt and HfPt (with a large energy difference between the B33 and B19 phases).…”

“…Although HfPd was known to exist [60], its lattice structure was not determined. Among the five structures considered here, we found that the B33 phase is the most stable structure with the calculated DH of À73.3 kJ (mol of atoms) À1 .…”

Study of the martensitic transformation in the Hafnium-Palladium system

“…The hafnium-palladium system has received a very small attention in the past [9,10] but could be a good candidate for high temperature applications. In this paper we present fundamental results about this system, focusing on the determination of the transformation temperatures and the martensite structure.…”

Constitution of ZrCo–ZrIr alloys

“…Among the other equiatomic compounds formed by group IV transition metals and platinum group metals, which have a face-centered cubic lattice and undergo solid-state transformation at temperatures above 500°C, there is evidence that ZrPd, HfPd, ZrPt, HfPt, and TiRh interact with a third component in group VIII [12][13][14][15][16]. At 800°C, 7 at.% Fe dissolves in the ZrPd phase to replace both palladium and zirconium (there is no equiatomic phase in the Zr-Fe system) [12].…”

“…These quasibinary systems represent continuous series of solid solutions with CsCl structure [15]. The temperature range of the cubic phase can be extrapolated to the subsolidus temperature with high probability.…”