作者
Timothy Q Hartnett, Vaibhav Sharma, Sunidhi Garg, Radhika Barua, Prasanna V Balachandran
发表日期
2022/6/1
期刊
Acta Materialia
卷号
231
页码范围
117891
出版商
Pergamon
简介
Data-driven machine learning (ML) models are developed to rapidly predict the magnetostructural transition temperature (T t) and thermal hysteresis in the vast search space of MnNiSi-M T X solid solutions. Each alloy is represented in three unique ways based on:(1) chemical compositions,(2) descriptors describing average elemental properties, and (3) crystal structure and magnetic descriptors derived from density functional theory. The trained ML models are experimentally validated through two newly synthesized alloy compositions. While the T t predictions show good agreement with experimental measurements, the thermal hysteresis predictions were inconclusive. The global and local behaviors of the trained models are then examined using novel post hoc model interpretability techniques. These techniques show that the ML models have learned the salient features that are known to govern the T t of M T X …
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