New insights into the mechanisms of TiB2(001) thermal oxidation combining molecular dynamics and density functional theory calculations

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Authors: Hicham Jabraoui, Adrian Alpuche, Carole Rossi, Alain Esteve

Journal title: Acta Materialia

Journal number: 262

Journal publisher: Elsevier BV

Published year: 2024

Published pages: 119463

DOI identifier: 10.1016/j.actamat.2023.119463

ISSN: 1359-6454