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Local-distortion-informed exceptional multicomponent transition-metal carbides uncovered by machine learning

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摘要 Developing high-performance multicomponent ceramics,which are promising in solving challenges posed by emerging technologies,shows grand difficulties because of the immense compositional space and complex local distortions.In this work,an accurate machine learning(ML)model built upon an ab initio database is developed to predict the mechanical properties and structural distortions of multicomponent transition metal carbides(MTMCs).
出处 《npj Computational Materials》 CSCD 2024年第1期1576-1585,共10页 计算材料学(英文)
基金 supported by the National Key R&D Program of China(No.2022YFE0200900) the Research Grants Council of Hong Kong(No.11200421) the Hong Kong Innovation and Technology Commission(No.MHP/098/21).
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