Evaluating Binary Molybdenum Alloys as Strong and Ductile High-Temperature Materials.

Molybdenum alloys as refractory alloys can provide strength levels at operating temperatures higher than that of Ni-base superalloys, yet their ductility is usually inferior to Ni-base alloys. Currently, commercialized Mo alloys are much fewer than Ni alloys. The motivation of this work is to explore opportunities of discovering useful alloys from the usually less investigated binary Mo-X systems (X = alloying element). With computational thermodynamics (CALPHAD), first-principles calculation, and mechanistic modeling combined, in this work a large number of Mo-X binary systems are investigated in terms of thermodynamic features and mechanical properties (yield strength, ductility, ductile-brittle transition temperature, creep resistance, and stress-strain relationship). The applicability of the alloy systems as solution-strengthened or precipitation-strengthened alloys is investigated. Starting from 92 Mo-X systems, a down-selection process is implemented, the results of which include three candidate systems for precipitation strengthening (Mo-B, Mo-C, Mo-Si) and one system (Mo-Re) for solid-solution strengthened alloy. In a composition optimization of Mo alloys to reach the properties of Ni-base superalloys, improving ductility is of top priority, for which Re plays a unique role. The presented workflow is also applicable to other bcc refractory alloy systems.