Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten

Abstract The knowledge of diffusion mechanisms in materials is crucial for predicting their high-temperature performance and stability, yet accurately capturing the underlying physics like thermal effects remains challenging. In particular, the origin of the experimentally observed non-Arrhenius dif...

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Bibliographic Details
Main Authors: Xi Zhang, Sergiy V. Divinski, Blazej Grabowski
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-024-55759-w
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