New insights into the mechanisms of TiB <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si46.svg" display="inline" id="d1e323"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> (001) thermal oxidation combining molecular dynamics and density functional theory calculations

Hicham Jabraoui, Adrian Alpuche, Carole Rossi, Alain Estève