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Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys

Khatavkar, N and Singh, AK (2022) Highly interpretable machine learning framework for prediction of mechanical properties of nickel based superalloys. In: Physical Review Materials, 6 (12).

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Official URL: https://doi.org/10.1103/PhysRevMaterials.6.123603


Superalloys are a special class of heavy-duty materials with excellent strength retention and chemical stability at very high temperatures. Nickel-based superalloys are used commercially in aircraft turbines, power plants, and space launch vehicles. The optimization of mechanical properties of alloys has been traditionally carried out using experimental approaches, which demand massive costs in terms of time and infrastructure for testing. In this paper, we propose a method for mechanical property prediction of Ni-based superalloys by learning from past experimental results using machine learning (ML). Five highly accurate ML models are developed to predict yield strength (YS), ultimate tensile strength (UTS), creep rupture life, fatigue life with stress, and strain values. We have developed an extensive database containing mechanical properties of over 1500 Ni-based superalloys. Basic material parameters such as the composition of the alloy, annealing conditions, and testing conditions are also collected and used as features for developing the ML models. The prediction root mean squared errors for the YS, UTS, creep, and fatigue life models are 0.11, 0.06, 0.19, 0.22, which are minimal, leading to a highly accurate estimation of the target values. These ML models are highly transferable and require a minimum number of input features. In addition, feature analysis performed by SHapley Additive exPlanations (SHAP) for individual properties reveals the relative significance of each descriptor in deciding the target property. We demonstrate that a unified and highly accurate ML framework can be developed using common features for all mechanical properties. The models are developed on experimental data, making them directly applicable for industries. © 2022 American Physical Society.

Item Type: Journal Article
Publication: Physical Review Materials
Publisher: American Physical Society
Additional Information: The copyright for this article belongs to American Physical Society.
Keywords: Chemical stability; Creep; Forecasting; Learning algorithms; Mean square error; Nickel; Nickel alloys; Superalloys; Tensile strength; Thermal fatigue, Highly accurate; Learning frameworks; Machine learning models; Machine-learning; Ni-based superalloys; Nickel-based superalloys; Prediction of mechanical properties; Property; Special class; Ultimate tensile strength, Machine learning
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Date Deposited: 17 Jan 2023 10:05
Last Modified: 17 Jan 2023 10:05
URI: https://eprints.iisc.ac.in/id/eprint/79191

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