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Solid solution strengthening of high-entropy alloys from first-principles study 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 121, 页码: 105-116
Authors:  Zhang, H. L.;  Cai, D. D.;  Sun, X.;  Huang, H.;  Lu, S.;  Wang, Y. Z.;  Hu, Q. M.;  Vitos, L.;  Ding, X. D.
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Alloys  Solid solution strengthening  Hardness  Size misfit parameter  Shear modulus misfit parameter  First-principles calculations  
Microstructure and electrical properties of La2Ti2O7 thin films on SrTiO3 substrates 期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 587, 页码: 8
Authors:  Qiao, Beibei;  Jiang, Yixiao;  Yao, Tingting;  Tao, Ang;  Yan, Xuexi;  Gao, Chunyang;  Li, Xiang;  Ohta, Hiromichi;  Chen, Chunlin;  Ma, Xiu-Liang;  Ye, Hengqiang
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La2Ti2O7  Transmission electron microscopy  Layered perovskite material  First-principles calculations  

Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni S5 [001] (210) grain boundary

期刊论文

MATERIALS TODAY COMMUNICATIONS, 2022, 卷号: 31, 页码: 9
Authors:  Xue, Hongtao;  Wu, Yaqiao;  Tang, Fuling;  Li, Xiuyan;  Lu, Xuefeng;  Ren, Junqiang;  Li, Junchen
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Co-segregation  First-principles calculations  Grain boundary fracture strength  Grain boundary thermodynamic stability  

Ni sigma 5 [001](210) symmetrical tilt grain boundary

  
Atomic origin of magnetic coupling of antiphase boundaries in magnetite thin films 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 107, 页码: 92-99
Authors:  Gao, Chunyang;  Jiang, Yixiao;  Yao, Tingting;  Tao, Ang;  Yan, Xuexi;  Li, Xiang;  Chen, Chunlin;  Ma, Xiu-Liang;  Ye, Hengqiang
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Fe3O4  Transmission electron microscopy  Antiphase boundary  Magnetic coupling  First-principles calculations  
Revisiting dissolution behavior of interfacial oxides in hot-compression bonding of stainless steel by combination of experiments and first-principles calculations 期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 581, 页码: 9
Authors:  Zhang, Honglin;  Zhou, Gang;  Sun, Mingyue;  Xu, Bin;  Li, Dianzhong
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Hot-compression bonding  Interfacial oxides  Dissolution  First-principles calculations  Diffusion  
Comparing the hot corrosion of (100), (210) and (110) Ni-based superalloys exposed to the mixed salt of Na2SO4-NaCl at 750 degrees C: Experimental study and first-principles calculation 期刊论文
CORROSION SCIENCE, 2022, 卷号: 195, 页码: 14
Authors:  Wei, Boxin;  Chen, Chunjin;  Xu, Jin;  Yang, Lanlan;  Jia, Yixuan;  Du, Yao;  Guo, Mingxiao;  Sun, Cheng;  Wang, Zhenyao;  Wang, Fuhui
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Ni -based single crystal superalloy  Hot corrosion  Crystal orientation  Microstructures  First-principles calculations  
Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8
Authors:  Qiu, Shi;  Chen, Shu-Ming;  Naihua, Naihua;  Zhou, Jian;  Hu, Qing-Miao;  Sun, Zhimei
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Local chemical ordering  High entropy alloy  First-principles calculations  Mechanical properties  
Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8
Authors:  Qiu, Shi;  Chen, Shu-Ming;  Naihua, Naihua;  Zhou, Jian;  Hu, Qing-Miao;  Sun, Zhimei
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Local chemical ordering  High entropy alloy  First-principles calculations  Mechanical properties  
Unraveling surface functionalization of Cr2B2T2 (T = OH, O, Cl, H) MBene by first-principles calculations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 199, 页码: 7
Authors:  Hu, Tao;  Wang, Mengting;  Wang, Xiaohui;  Zhou, Yanchun;  Li, Changming
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Two-dimensional materials  Surface functionalization  Stability  MBene  First-principles calculations  
Interaction between Al and other alloying atoms in alpha-Ti for designing high temperature titanium alloy 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 11
Authors:  Cao, Shuo;  Zhang, Shang-Zhou;  Liu, Jian-Rong;  Li, Shu-Jun;  Sun, Tao;  Li, Jian-Ping;  Gao, Yang;  Yang, Rui;  Hu, Qing-Miao
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Titanium alloys  Thermal strength  Thermal stability  Interaction energy  First principles calculations