Hydrogen diffusion in magnesium using machine learning potentials: a comparative study

Abstract Understanding and accurately predicting hydrogen diffusion in materials is challenging due to the complex interactions between hydrogen defects and the crystal lattice. These interactions span large length and time scales, making them difficult to address with standard ab-initio techniques....

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Bibliographic Details
Main Authors: Andrea Angeletti, Luca Leoni, Dario Massa, Luca Pasquini, Stefanos Papanikolaou, Cesare Franchini
Format: Article
Language:English
Published: Nature Portfolio 2025-03-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01555-z
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