Reactive atomistic insights into oxidation dynamics and wettability of ultrafast laser-treated titanium surfaces

IS Omeje and D Iabbaden and P Ganster and TE Itina, SURFACES AND INTERFACES, 68, 106537 (2025).

DOI: 10.1016/j.surfin.2025.106537

Ultrafast laser surface treatment offers remarkable advantages over other surface treatment. However, several experimental studies have provided insights into the resulting morphological and chemical changes but the mechanisms governing these transformations and their impact on wettability at nanoscale remain poorly understood. Herein, we employed Molecular Dynamics (MD) simulations to investigate the early stage oxidation dynamics and wettability evolution of laser-treated titanium (Ti) surfaces. The effects of laser-induced oxidation on surface chemistry and wettability were analyzed through reactive MD simulations. These results reveal that laser treatment significantly modifies the surface chemistry by influencing the oxidation kinetics, surface roughness, defect formation and wettability.

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