DFT – Driven design of hierarchically structured, strong and highly conductive alloys in Cu–Ti system via in situ hydration - re-oxidation

Abstract

To engineer a Cu–Ti based alloy with titanium-and oxygen-free copper matrix using commercially-feasible powders, an in situ hydrogenation – re-oxidation approach was suggested and supported by grand potential diagram mapping of Cu–Ti–O–H system. Reactive composite powders with nominal composition Cu–10%TiH2, containing 7% native Cu2O, were manufactured by high energy ball milling. The phase and structure formation mechanisms were experimentally investigated by DSC, in situ XRD, SEM, and HRTEM.