Revealing the microscopic mechanism of PuO2 and α-Pu2O3 in resisting plutonium hydrogenation via ab initio molecular dynamics simulation
Author:
Funder
National Natural Science Foundation of China
Publisher
Elsevier BV
Subject
Materials Chemistry,Metals and Alloys,Mechanical Engineering,Mechanics of Materials
Reference58 articles.
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3. The plutonium/hydrogen reaction: the pressure dependence of reaction initiation time and nucleation rate controlled by a plutonium dioxide over-layer;McGillivray;J. Nucl. Mater.,2011
4. Atomistic level relativistic quantum modelling of plutonium hydrogen reaction;Balasubramanian;J. Alloy. Compd.,2007
5. An expanding view of plutonium;Albers;Nature,2011
Cited by 5 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Ab initio thermodynamic and kinetic modeling of molecular adsorption and reaction properties on PuO2(111) surface under exposure to environmental gases;Surface Science;2024-07
2. The Adsorption Behavior of Hydrogen on the PuO2(111) Surface: A DFT+U Study;Coatings;2024-02-01
3. Theoretical study on the hydrogen distribution and diffusion at the PuO2/α-Pu2O3 interface;RSC Advances;2024
4. First principles study of oxygen diffusion in plutonium dioxide, sesquioxide, and their interface under activated conditions;Journal of Nuclear Materials;2023-05
5. Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO2;Applied Sciences;2022-10-30
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