A computational framework for designing Ni-based superalloy
Sheng Yen Li, Ursula R. Kattner, Carelyn E. Campbell
A computational framework is proposed to provide an interdisciplinary environment to develop γ/γ Ni-based superalloys. A prototype design is demonstrated to select the chemical composition and processing conditions for a high work to necking (EWTN) Ni(1−x−y)AlxCry alloy. Phase-based, composition and temperature dependent models coupled with the calculation of phase diagrams (CALPHAD) method are used to simulate γ precipitation at processing temperature (Tp). The material knowledge system in python (PyMKS) is used to simulate the elastic deformation and a constitutive model with irreversible thermodynamics is implemented to calculate the stress-strain curve. Using a prescribed processing-structure-property correlation, a genetic algorithm (GA) di- rects the search until composition and processing conditions that satisfy the desired mechanical properties. In this example process, Ni-0.071Al-0.184Cr (mole fraction) after 8 minute tempering treatment at 1051 K is recommended.