Diffusion behavior of hydrogen in oxygen saturated and unsaturated plutonium dioxide: An ab initio molecular dynamics study

J Tang, R Qiu, J Chen, B Ao - Journal of Alloys and Compounds, 2020 - Elsevier
As the plutonium (Pu) oxides are the crucial issue of the Pu surface and corrosion science
and some impurities like hydrogen (H) are virtually impossible to exclude from them in …

Revealing the microscopic mechanism of PuO2 and α-Pu2O3 in resisting plutonium hydrogenation via ab initio molecular dynamics simulation

J Tang, R Qiu, J Chen, B Ao - Journal of Alloys and Compounds, 2021 - Elsevier
The hydriding corrosion of metallic plutonium (Pu) is a crucial issue for its actual
applications. The current work performs systematic ab initio molecular dynamics calculations …

Scaling the existence state of hydrogen in metal binary oxides

B Ao - Acta Materialia, 2021 - Elsevier
Hydrogen in metal oxide is a classic but engaging topic in the scientific research and actual
application; owing to the flexible property of hydrogen, however, a scaling relationship …