Accelerated discovery of compounds with erosion resistance to Nd-Fe-B melt by machine learning

IF 7.4 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Corrosion Science Pub Date : 2025-07-01 Epub Date: 2025-03-19 DOI:10.1016/j.corsci.2025.112875
Yuan Dong , Lu Wang , Renquan Wang , Ziyuyang Zheng , Keji Yue , Liyu Zhou , Jun Li , Ying Liu
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Abstract

This paper reported a hybrid strategy leveraging machine learning and experimental methods for high-throughput screening for compounds with erosion resistance to Nd-Fe-B melts. With structure and energy features, nine compounds were selected by the surrogate models, and the erosion thresholds were obtained. The failure behavior and mechanism of h-BN and MoB2 were discussed, and BN-TiB2 composite with excellent stability was discovered to solve the exfoliation problem faced by the commercial quenching nozzle. This study not only provided alternatives for the quenching nozzle, but also offered a high throughput method for screening materials with erosion resistance to alloy melt.
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通过机器学习加速发现耐Nd-Fe-B熔体侵蚀的化合物
本文报道了一种利用机器学习和实验方法的混合策略,用于高通量筛选耐Nd-Fe-B熔体侵蚀的化合物。结合结构和能量特征,通过代理模型选择了9个化合物,得到了侵蚀阈值。讨论了h-BN和MoB2的失效行为和失效机理,发现了具有优异稳定性的BN-TiB2复合材料,解决了工业淬火喷嘴面临的剥落问题。该研究不仅为淬火喷嘴提供了替代方案,而且为筛选抗合金熔体侵蚀材料提供了一种高通量的方法。
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来源期刊
Corrosion Science
Corrosion Science 工程技术-材料科学:综合
CiteScore
13.60
自引率
18.10%
发文量
763
审稿时长
46 days
期刊介绍: Corrosion occurrence and its practical control encompass a vast array of scientific knowledge. Corrosion Science endeavors to serve as the conduit for the exchange of ideas, developments, and research across all facets of this field, encompassing both metallic and non-metallic corrosion. The scope of this international journal is broad and inclusive. Published papers span from highly theoretical inquiries to essentially practical applications, covering diverse areas such as high-temperature oxidation, passivity, anodic oxidation, biochemical corrosion, stress corrosion cracking, and corrosion control mechanisms and methodologies. This journal publishes original papers and critical reviews across the spectrum of pure and applied corrosion, material degradation, and surface science and engineering. It serves as a crucial link connecting metallurgists, materials scientists, and researchers investigating corrosion and degradation phenomena. Join us in advancing knowledge and understanding in the vital field of corrosion science.
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