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Understanding hydrogen diffusivity in amorphous titania: A combined density functional theory, machine learning, and graph theory study

Proceedings of 1st Corrosion and Materials Degradation Web Conference Pub Date : 2021-05-08 DOI:10.3390/cmdwc2021-09929
James Chapman, Kyoungchun Kweon, N. Goldman
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理解氢在无定形二氧化钛中的扩散率:结合密度泛函理论、机器学习和图论研究
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Proceedings of 1st Corrosion and Materials Degradation Web Conference
Proceedings of 1st Corrosion and Materials Degradation Web Conference
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