Mechanisms of oxidation anisotropy between α-Ti (0001) and 011¯0 crystallographic planes in titanium matrix composites

Materials Letters(2021)

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摘要
•Oxidation test and computational simulation were combined to investigate the oxidation anisotropy of α-Ti.•α-Ti grains with orientations close to <0001> direction exhibited a lower oxidation degree.•A more negative adsorption energy and higher diffusion barrier of Ti(0001) can well resist the erosion of oxygen.
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关键词
Titanium alloys,Oxidation,First-principle calculation,Adsorption,Diffusion
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