Phase stability at martensitic transformation in Zr-based shape memory intermetallics

摘要

This article is dedicated to the estimation of the relative stability for B2, B19 B33 and Cm phase in ZrCu-ZrNi-ZrCo intermetallic compound row through the ab-initio electronic structure calculations and subsequent crystal structure Rietveld refinement. The information about electronic and crystal structure of phases in Zr-based intermetallics will allow selecting for this high temperature shape memory alloys such alloying elements that will significantly improve shape memory behavior through definite structural changes.