Preprint Article Version 1 This version is not peer-reviewed

Machine Learning-Driven Design of High-Elastocaloric NiTi-Based Shape Memory Alloys

Version 1 : Received: 16 August 2024 / Approved: 20 August 2024 / Online: 21 August 2024 (13:45:38 CEST)

How to cite: Gao, Y.; Hu, Y.; Zhao, X.; Liu, Y.; Huang, H.; Su, Y. Machine Learning-Driven Design of High-Elastocaloric NiTi-Based Shape Memory Alloys. Preprints 2024, 2024081415. https://doi.org/10.20944/preprints202408.1415.v1 Gao, Y.; Hu, Y.; Zhao, X.; Liu, Y.; Huang, H.; Su, Y. Machine Learning-Driven Design of High-Elastocaloric NiTi-Based Shape Memory Alloys. Preprints 2024, 2024081415. https://doi.org/10.20944/preprints202408.1415.v1

Abstract

In recent years, due to the detrimental impact of traditional gas-liquid refrigerants on the environment, the pursuit of solid-state refrigeration technology based on elastocaloric effect, as a promising sustainable alternative, has been promoted. However, the traditional trial-and-error method is inefficient and difficult to meet the material application requirements. In this work, machine learning (ML) was employed to accelerate the development of NiTi-based shape memory alloy (SMA) with excellent elastocaloric effect. By means of active learning, we identified 9 novel NiTi-based SMAs in four iterations, the phase transformation-induced entropy change (ΔS) of which are as high as over 90 J/kg·K-1. Moreover, the model exhibits good interpretability, allowing us to understand the relevance between the target and features from the aspect of mechanism.

Keywords

machine learning; shape memory alloys; elastocaloric effect; phase transformation-induced entropy change; processing parameters

Subject

Chemistry and Materials Science, Materials Science and Technology

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