Microstructure evolution and wear resistance of nitrogen-strengthened γ-Fe based alloy fabricated by N2 pressure sintering

Xiangrong Li, Ji Xiong, Junbo Liu, Lu Yang, Xiuxian Chen, Yitong Xiang, Yuanqing Huang and Chengjun Deng

Journal of Materials Research and Technology, 2023, 23, 6262
DOI: 10.1016/j.jmrt.2023.02.080

First principles study of H₂ dissociation, H atom and O atom diffusion on Mo doped γ-U (100) surface

Jun-Wei Li, Wei-Min Jia, Ya-Xuan Wei, Sha-Sha Lü, Jin-Tao Wang and Zheng-Cao Li

Acta Phys. Sin., 2023, 72, 146401
DOI: 10.7498/aps.72.20230033

The interaction of oxygen with the γ-U (001) and (110) surfaces: An ab initio study

Chenglong Qin, Yushu Yu, Zihan Xu, Jiguang Du, Liang Zhao and Gang Jiang

Computational Materials Science, 2023, 219, 112025
DOI: 10.1016/j.commatsci.2023.112025

Density functional theory (DFT+D3) study on the adsorption of water on the γ-U(100) surface

Songlin Zhu, Qingyu Xie, Jintao Hu, Xiaofeng Tian and You Yu

Physica B: Condensed Matter, 2025, 717, 417841
DOI: 10.1016/j.physb.2025.417841

Regulation mechanism of corrosion resistance in uranium-niobium-zirconium alloys: synergistic and concentration-dependent effects of alloying elements

Jie Zhang, Jie Yang, Hongyang Ren, Ruizhi Qiu, Hongkuan Yuan and Biao Wang

Journal of Nuclear Materials, 2026, 626, 156598
DOI: 10.1016/j.jnucmat.2026.156598

Combined theoretical and experimental studies of CO oxidation on PdRu nanoalloys

Nor Diana Bt. Zulkifli, Takayoshi Ishimoto, Katsutoshi Sato, Takaaki Eboshi, Katsutoshi Nagaoka and Michihisa Koyama

Applied Catalysis A: General, 2018, 568, 176
DOI: 10.1016/j.apcata.2018.10.002

First-principles study of corrosion on the γU-Mo (110) alloy surface

Songlin Zhu, Minghong Xie, Haonan Sun, Xiaofeng Tian and You Yu

Physica B: Condensed Matter, 2026, 731, 418470
DOI: 10.1016/j.physb.2026.418470

Oxygen adsorption and diffusion on γ-U(0 0 1) surface: Effect of titanium

Guangdong Liu, Zhixiao Liu, Bingyun Ao, Wangyu Hu and Huiqiu Deng

Computational Materials Science, 2018, 144, 85
DOI: 10.1016/j.commatsci.2017.12.002

First-principles thermodynamical modeling of molecular reactions on α-U(001) and α-UH3(001) surfaces and their influence on hydrogen activation

Jinfan Chen and Tao Tang

Journal of Nuclear Materials, 2025, 603, 155455
DOI: 10.1016/j.jnucmat.2024.155455

The interactions between nitrogen oxides and α-uranium surface

Guangdong Liu, Shuaiyu Yi, Zhixiao Liu, Wangyu Hu, Bingyun Ao, Piheng Chen and Huiqiu Deng

Nuclear Materials and Energy, 2021, 26, 100945
DOI: 10.1016/j.nme.2021.100945

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

Zhenhua Zeng, Maria K. Y. Chan, Zhi-Jian Zhao, Joseph Kubal, Dingxin Fan and Jeffrey Greeley

J. Phys. Chem. C, 2015, 119, 18177
DOI: 10.1021/acs.jpcc.5b03169

Electronic and magnetic properties of C-doped α-Al2O3 by DFT calculations

L. Ao, Y.G. Yuan, Y. Tian, J.L. Nie, H.Y. Xiao, H. Chen, X. Xiang and X.T. Zu

Computational Materials Science, 2015, 110, 368
DOI: 10.1016/j.commatsci.2015.08.021

Initial oxidation behavior of α-U and γ-U surfaces

Houao Liu, Fuzhu Liu, Hongxiang Zong, Xiangdong Ding and Jun Sun

Journal of Nuclear Materials, 2024, 592, 154964
DOI: 10.1016/j.jnucmat.2024.154964

Atomic insights into the initial oxidation of uranium and the protective role of oxide layer

Weijuan Hu, Shuo Jin, Wenjin Gao, Chenqiang Hua, Guoxiang Zhi and Miao Zhou

Journal of Nuclear Materials, 2025, 613, 155868
DOI: 10.1016/j.jnucmat.2025.155868

Atomistic insights into interactions between oxygen and α–Zr (101-1) surface

Zhixiao Liu, Wangyu Hu and Hiuqiu Deng

Nuclear Materials and Energy, 2021, 27, 100974
DOI: 10.1016/j.nme.2021.100974

Dynamics of Energy Transfer between Nanoscale Aluminum/Aluminum Oxide Particles and Nitrogen Gas in the Noncontinuum Regime

Jyotishraj Thoudam, Isha Jairaj Bayad and Dilip Srinivas Sundaram

J. Phys. Chem. C, 2024, 128, 3497
DOI: 10.1021/acs.jpcc.3c07034

Nitrogen absorption behavior and mechanism of TiZrMnFe getter alloy

Lei Li, Fanhao Zeng, Wenjie Li, Ziwei Wang, Honghao Liu, Yirui Peng, Yi Gu, Jiangfeng Song and Wensheng Liu

Vacuum, 2021, 183, 109814
DOI: 10.1016/j.vacuum.2020.109814

Elucidating the Initial Steps in α-Uranium Hydriding Using First-Principles Calculations

By Artem Soshnikov, Ambarish Kulkarni and Nir Goldman

Langmuir, 2022, 38, 9335
DOI: 10.1021/acs.langmuir.2c01170

Atomic scale origin of hydrogen induced pitting corrosion in metallic uranium: first principles study of hydrogen behavior at uranium grain boundaries

Longxian Li, Min Zhu, Yan Li, Chengxuan Peng and Longfei Pu

International Journal of Hydrogen Energy, 2025, 159, 150584
DOI: 10.1016/j.ijhydene.2025.150584

A combined DFT and AIMD study: The effect of nitrogen on Tobermorite9 Å

Xiaotong Liu, Tianshui Liang, Wei Zhong and Jiujiu He

Materials Today Communications, 2022, 33, 104569
DOI: 10.1016/j.mtcomm.2022.104569

First-principles study of adsorption, dissociation, and diffusion of hydrogen on α-U (110) surface

Zihan Xu, Chenglong Qin, Yushu Yu, Gang Jiang and Liang Zhao

AIP Advances, 2024, 14
DOI: 10.1063/5.0208082