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First-principles modeling of passivation behaviors of stainless steels in corrosive environments 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 229, 页码: 58-66
作者:  Xu, Wenjing;  Bao, Ergen;  Si, Yueqi;  Ma, Hui;  Liu, Peitao;  Sun, Yan;  Shi, Yongpeng;  Chen, Xing-Qiu
收藏  |  浏览/下载:6/0  |  提交时间:2025/04/27
Passivation  Modeling  First-principles calculation  Stainless steel  
Machine Learning Model for Predicting the Critical Transition Temperature of Hydride Superconductors 期刊论文
ACTA METALLURGICA SINICA, 2024, 卷号: 60, 期号: 10, 页码: 1418-1428
作者:  Zhao, Jinbin;  Wang, Jiantao;  He, Dongchang;  Li, Junlin;  Sun, Yan;  Chen, Xing-Qiu;  Liu, Peitao
收藏  |  浏览/下载:3/0  |  提交时间:2025/04/27
hydride superconductor  superconducting transition temperature  machine learning  random forest  first-principles calculation  
Substitution potential of La/Ce/Er for high-cost Sc in rare-earth Al alloys: A comprehensive first-principles study 期刊论文
PHYSICA B-CONDENSED MATTER, 2024, 卷号: 688, 页码: 9
作者:  Yang, Tao;  Yu, Wei-Yuan;  Xue, Hong-Tao;  Yang, Yan-Hong;  Tang, Fu-Ling;  Zhang, Yong;  Ren, Jun-Qiang;  Lu, Xue-Feng;  Li, Jun-Chen
收藏  |  浏览/下载:2/0  |  提交时间:2025/04/27
Rare-earth Al alloys  Substitution formation energy  gamma-Al/gamma '-Al3Sc phase interfaces  Interfacial segregation  First-principles calculation  
First-Principles Study of Projected Berry Phase and Hydrogen Evolution Catalysis in Pt7Sb 期刊论文
ACTA METALLURGICA SINICA, 2024, 卷号: 60, 期号: 6, 页码: 837-847
作者:  Zhou Yanyu;  Li Jiangxu;  Liu Chen;  Lai Junwen;  Gao Qiang;  Ma Hui;  Sun Yan;  Chen Xingqiu
收藏  |  浏览/下载:1/0  |  提交时间:2025/04/27
hydrogen evolution reaction  catalyst  projected Berry phase  first-principles calculation  
Unveiling the pitting corrosion mechanism of borated stainless steel in the wet storage environment of spent nuclear fuels 期刊论文
ACTA MATERIALIA, 2024, 卷号: 263, 页码: 20
作者:  Wang, Debin;  Cui, Jingping;  Ma, Aili;  Ji, Baoting;  Shi, Jian;  Liu, Zhiwen;  Yu, Bo;  Chen, Xingqiu;  Ma, Hui;  Zhang, Suode;  Wang, Jianqiang
收藏  |  浏览/下载:1/0  |  提交时间:2025/04/27
Stainless steel  Dual-phase  Corrosion  Passive film  First-principles calculation  
Unveiling the pitting corrosion mechanism of borated stainless steel in the wet storage environment of spent nuclear fuels 期刊论文
ACTA MATERIALIA, 2024, 卷号: 263, 页码: 20
作者:  Wang, Debin;  Cui, Jingping;  Ma, Aili;  Ji, Baoting;  Shi, Jian;  Liu, Zhiwen;  Yu, Bo;  Chen, Xingqiu;  Ma, Hui;  Zhang, Suode;  Wang, Jianqiang
收藏  |  浏览/下载:2/0  |  提交时间:2025/04/27
Stainless steel  Dual-phase  Corrosion  Passive film  First-principles calculation  
Understanding the effect of cobalt on the precipitation hardening behavior of the maraging stainless steel 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2023, 卷号: 27, 页码: 6719-6728
作者:  Tian, Jialong;  Zhou, Gang;  Wang, Wei;  Hu, Qingmiao;  Jiang, Zhouhua;  Yang, Ke
收藏  |  浏览/下载:10/0  |  提交时间:2024/01/07
Maraging stainless steel  Precipitation hardening  Atom probe tomography  First -principles calculation  
Latent Heat of TB18 Titanium Alloy during β to a Phase Transition by DSC and First-Principles Methods 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2023, 页码: 13
作者:  Jia, Yan-Di;  Cao, Shuo;  Ma, Ying-Jie;  Huang, Sen-Sen;  Qin, Feng-Ying;  Li, Shao-Qiang;  Xiang, Wei;  Wang, Qian;  Hu, Qing-Miao;  Li, Bo;  Lei, Jia-Feng;  Xie, Jing;  Liu, Xiang-Hong;  Yang, Rui
收藏  |  浏览/下载:17/0  |  提交时间:2024/01/08
High-strength titanium alloys  Latent heat  Phase transition  Differential scanning calorimetry (DSC)  First-principles calculation  
Atomic-Scale Insights into the Interfacial Polarization Effect in the InGaN/GaN Heterostructure for Solar Cells 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 页码: 8
作者:  Hao, Xiaodong;  Zhang, Xishuo;  Sun, Benyao;  Yin, Deqiang;  Dong, Hailiang;  Wang, Jiahui;  Huang, Biao;  Xu, Yang;  Shan, Hengsheng;  Ma, Shufang;  Chen, Chunlin;  Xu, Bingshe
收藏  |  浏览/下载:40/0  |  提交时间:2023/05/09
polarization charge effect  built-in electric field  p-n junction  semipolar InGaN  GaN interface  first principles calculation  
Study on anisotropic oxide formation rate in the initial corrosion stage of 90Cu-10Ni alloy in alkaline NaCl solution by experiments and first-principles calculation 期刊论文
CORROSION SCIENCE, 2022, 卷号: 209, 页码: 14
作者:  Yi, Xuening;  Zhang, Lianji;  Ma, Aili;  Zhang, Lianmin;  Cao, Shuo;  Hu, Qingmiao;  Hu, Lingyue;  Zheng, Yugui
收藏  |  浏览/下载:39/0  |  提交时间:2023/05/09
Alloy  AFM  Raman spectroscopy  Crystallographic anisotropy  First-principles calculation