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Additive manufacturing (AM), through directed energy deposition, supportsplanned composition changes between locations within a single component,allowing for functionally graded materials (FGMs) to be developed andfabricated. The formation of deleterious phases along a particular compositionpath can cause significant cracking during the AM build process that makes thecomposition path unviable to produce these FGMs, but it is challenging topredict which phases will be present in as-built additively manufactured partsby analyzing only equilibrium phase relations. Solute segregation duringsolidification can lead to the formation of non-equilibrium phases that arestable at compositions far from the nominal composition of the melt, leading tocrack formation. In this work, we developed a Scheil-Gulliver simulation toolbased on pycalphad. We used this tool to compare the non-equilibrium phasespredicted to form during solidification using the Scheil-Gulliver model withexperimentally measured phases at several locations with different compositionin a Ti-6Al-4V to Invar-36 FGM and a commercially pure Ti to Invar-36 FGM. Weshowed that the phases predicted to form by the Scheil-Gulliver modeloutperform the predictions made by assuming equilibrium solidification.Further, we demonstrated the use of our Scheil-Gulliver simulation tool as amethod of screening potential FGM pathways by calculating the solidificationphase fractions along the experimental gradient path in composition space.

Scheil-Gulliver simulations for the design of functionally graded alloys by additive manufacturing using pycalphad