Giant room-temperature magnetocaloric effect MM′X alloys explored by machine learning

Magnetic refrigeration is emerging as a promising alternative to conventional gas compression refrigeration. The key to advancing this technology lies in identifying materials with high magnetocaloric effect (MCE). However, traditional experimental methods require time-consuming and labor-intensive...

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Detalles Bibliográficos
Autores: Qiao, Kaiming, Cui, Zhe, Hao, Xiaowen, Zhao, Qian, Xu, Yuanxiang, Wang, Dekun, Liu, Jingyi, Wang, Doudou, Xia, Yuanguang, Yin, Wen, Hao, Jia Zheng, He, Lunhua, Romero-Muñiz, Carlos, Law, Jia Yan, Franco, V., Ren, Qingyong, Zhang, Hu
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2025
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/398192
Acceso en línea:http://hdl.handle.net/10261/398192
https://api.elsevier.com/content/abstract/scopus_id/105010679746
Access Level:acceso abierto
Palabra clave:Room temperature
Machine learning
Magnetic refrigeration
MM′X alloy
temperature
machine learning
refrigeration
Magnetic
Descripción
Sumario:Magnetic refrigeration is emerging as a promising alternative to conventional gas compression refrigeration. The key to advancing this technology lies in identifying materials with high magnetocaloric effect (MCE). However, traditional experimental methods require time-consuming and labor-intensive experimentation to screen compositions. Herein, we developed a machine learning (ML) model utilizing the Random Forest algorithm to efficiently identify MM'X alloy compositions with giant MCE near room temperature based on a small dataset (<200). The ML-predicted results were perfectly confirmed by the validation experiments. Notably, while most typical magnetic refrigeration materials near room temperature show a maximum ∆S around or <20 kg<sup>-1</sup> K<sup>-1</sup>(0–5 T), our predicted alloys show a remarkable ∆S of up to 51 kg<sup>-1</sup> K<sup>-1</sup>, which is more than four times higher than that of the benchmark material, Gd. The origin of this giant MCE is linked to atomic disorder and lattice ∆S predominantly from Ni atoms, as confirmed through spherical aberration corrected transmission electron microscopy, neutron powder diffraction and element-resolved vibrational density of states analysis. This work accelerates the discovery of magnetic refrigerants and significantly promotes the development of magnetic refrigeration.