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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
作者:  Lai, Junwen;  Li, Jiangxu;  Liu, Peitao;  Sun, Yan;  Chen, Xing-Qiu
收藏  |  浏览/下载：5/0  |  提交时间：2024/01/08
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
作者:  Li, Zhihui;  Zhang, Hao;  Chen, Jixin;  Wang, Jiemin;  Wang, Xiaohui;  Yang, Jinxing;  Zhang, Chao;  Zhang, Zerong;  Liu, Hongyang;  Huang, Fei;  Li, Meishuan;  Li, Fei
收藏  |  浏览/下载：7/0  |  提交时间：2024/01/08
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
作者:  Gao, Yang;  Chen, Shu-Ming;  Cao, Shuo;  Zhang, Shang-Zhou;  Djemia, Philippe;  Hu, Qing-Miao
收藏  |  浏览/下载：5/0  |  提交时间：2024/01/07
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
作者:  Zhao, Pengfei;  Zhu, Heyu;  Hou, Kunlei;  Wang, Min;  Hao, Xianchao;  Xing, Weiwei;  Gao, Ming;  Chen, Xing-Qiu;  Ma, Ying-Che
收藏  |  浏览/下载：8/0  |  提交时间：2024/01/07
Ni-based superalloy  Temperature effect  Deformation mechanism  First-principles calculations  STEM  
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：8/0  |  提交时间：2024/01/07
Maraging stainless steel  Precipitation hardening  Atom probe tomography  First -principles calculation  
Superconductivity in the bcc-Type High-Entropy Alloy TiHfNbTaMo 期刊论文
ADVANCED QUANTUM TECHNOLOGIES, 2023, 页码: 8
作者:  Zeng, Lingyong;  Zhan, Jie;  Boubeche, Mebrouka;  Li, Kuan;  Li, Longfu;  Yu, Peifeng;  Wang, Kangwang;  Zhang, Chao;  Jin, Kui;  Sun, Yan;  Luo, Huixia
收藏  |  浏览/下载：7/0  |  提交时间：2024/01/08
first-principles calculations  high-entropy alloy  superconductivity  valence electron count  van Hove singularities  
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：13/0  |  提交时间：2024/01/08
High-strength titanium alloys  Latent heat  Phase transition  Differential scanning calorimetry (DSC)  First-principles calculation  
Single-dislocation ultraviolet light emission 期刊论文
ACTA MATERIALIA, 2023, 卷号: 257, 页码: 9
作者:  Yan, Xuexi;  Jin, Qianqian;  Jiang, Yixiao;  Yao, Tingting;  Wang, Xinwei;  Li, Xiang;  Gao, Chunyang;  Chen, Chunlin;  Ye, Hengqiang;  Ma, Xiu-Liang
收藏  |  浏览/下载：10/0  |  提交时间：2024/01/08
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
作者:  Chen, You;  Hou, Qingfeng;  Wang, Haitao;  Han, En-Hou;  Gao, Mingyang;  Qiao, Zhiwei
收藏  |  浏览/下载：9/0  |  提交时间：2024/01/08
Ferrous alloys  Corrosion  First-principles calculations  High-throughput  
High-throughput first-principles investigation on grain boundary segregation of alloying elements in ferritic steel 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2023, 卷号: 26, 页码: 2140-2150
作者:  Yang, Mengmeng;  Zhou, Jiaying;  Huang, Haijun;  Cao, Shuo;  Hu, Qing-Miao;  Li, Wei;  Chen, Qingjun;  Qiao, Yanxin;  Wang, Hao
收藏  |  浏览/下载：6/0  |  提交时间：2024/01/08
Grain boundary  Segregation  First-principles  Steel  Mechanical property