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First-principles study on the electronic structure of Pb10-xCux(PO4)6O ( x=0, 1) 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 171, 页码: 66-70
Authors:  Lai, Junwen;  Li, Jiangxu;  Liu, Peitao;  Sun, Yan;  Chen, Xing-Qiu
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First-principles calculations  Density functional theory  Electronic structure  Superconductivity  Flat bands  Strongly correlated electrons  
Hydrolysis mechanism of YbB2C2 and the microstructure of the carbon derived from the hydrolysis reaction 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 171, 页码: 209-221
Authors:  Li, Zhihui;  Zhang, Hao;  Chen, Jixin;  Wang, Jiemin;  Wang, Xiaohui;  Yang, Jinxing;  Zhang, Chao;  Zhang, Zerong;  Liu, Hongyang;  Huang, Fei;  Li, Meishuan;  Li, Fei
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Carbide-derived carbon  YbB2C2  Hydrolysis  Molecular cell  First-principles calculations  
Phase stability, elastic properties, and hardness of Ti1-xAlxN from first-principles calculations 期刊论文
PHYSICA B-CONDENSED MATTER, 2024, 卷号: 673, 页码: 8
Authors:  Gao, Yang;  Chen, Shu-Ming;  Cao, Shuo;  Zhang, Shang-Zhou;  Djemia, Philippe;  Hu, Qing-Miao
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Hardness  Phase stability  Elastic modulus  First -principles calculations  
Temperature dependence of deformation mechanisms of a new Ni-based superalloy and high-temperature property optimization 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2023, 卷号: 27, 页码: 1214-1222
Authors:  Zhao, Pengfei;  Zhu, Heyu;  Hou, Kunlei;  Wang, Min;  Hao, Xianchao;  Xing, Weiwei;  Gao, Ming;  Chen, Xing-Qiu;  Ma, Ying-Che
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Ni-based superalloy  Temperature effect  Deformation mechanism  First-principles calculations  STEM  
Superconductivity in the bcc-Type High-Entropy Alloy TiHfNbTaMo 期刊论文
ADVANCED QUANTUM TECHNOLOGIES, 2023, 页码: 8
Authors:  Zeng, Lingyong;  Zhan, Jie;  Boubeche, Mebrouka;  Li, Kuan;  Li, Longfu;  Yu, Peifeng;  Wang, Kangwang;  Zhang, Chao;  Jin, Kui;  Sun, Yan;  Luo, Huixia
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first-principles calculations  high-entropy alloy  superconductivity  valence electron count  van Hove singularities  
Single-dislocation ultraviolet light emission 期刊论文
ACTA MATERIALIA, 2023, 卷号: 257, 页码: 9
Authors:  Yan, Xuexi;  Jin, Qianqian;  Jiang, Yixiao;  Yao, Tingting;  Wang, Xinwei;  Li, Xiang;  Gao, Chunyang;  Chen, Chunlin;  Ye, Hengqiang;  Ma, Xiu-Liang
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Threading dislocations  Band gap  Transmission electron microscopy  Electron energy-loss spectroscopy  First-principles calculations  Cathodoluminescence  AlN  
Quantitative prediction of corrosion resistance in ferrous alloys: A first-principles study of coupled doping of alloying elements 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2023, 卷号: 26, 页码: 7107-7115
Authors:  Chen, You;  Hou, Qingfeng;  Wang, Haitao;  Han, En-Hou;  Gao, Mingyang;  Qiao, Zhiwei
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Ferrous alloys  Corrosion  First-principles calculations  High-throughput  
Effect of boron addition on the microstructure and cryogenic mechanical properties of N50 stainless steel after aging treatment 期刊论文
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2023, 卷号: 881, 页码: 13
Authors:  Zhai, Ruzong;  Zhang, Honglin;  Pan, Shilong;  Xu, Bin;  Liu, Sheng;  Sun, Mingyue
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N50 austenitic stainless steel  B addition  Grain boundary segregation  First-principles calculations  Cryogenic mechanical properties  
Interface-Mediated Mechanoluminescence Enhancement from Heterojunction Phosphors: Experiment and Theory 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2023, 卷号: 15, 期号: 25, 页码: 30891-30901
Authors:  Wang, Ci;  Shi, Hai-Zheng;  Li, Wen-Hao;  Hu, Qing-Miao;  Liu, Lu;  Ren, Jing;  Zhang, Jianzhong
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mechanoluminescence  heterostructures  Pr3+-doped NaNbO3  positron annihilationlifetime  first-principles calculations  
Enhanced strength-ductility synergy via high dislocation density-induced strain hardening in nitrogen interstitial CrMnFeCoNi high-entropy alloy 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 141, 页码: 184-192
Authors:  Li, Huabing;  Han, Yu;  Feng, Hao;  Zhou, Gang;  Jiang, Zhouhua;  Cai, Minghui;  Li, Yizhuang;  Huang, Mingxin
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High-entropy alloy  Interstitials  Mechanical properties  First-principles calculations  Stacking fault energy