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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  
First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
Authors:  Liu, Mingfeng;  Wang, Lei;  Wang, Jiantao;  Zhu, Heyu;  Ma, Hui;  Wei, Yan;  Zhang, Aimin;  Chen, Li;  Liu, Peitao;  Chen, Xing-Qiu
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First-principles calculations  Variable-composition evolutionary structure search  Pd-Nb binary system  Intermetallics  Electronic structures  Elastic properties  
Screening for shape memory alloys with narrow thermal hysteresis using combined XGBoost and DFT calculation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 211, 页码: 7
Authors:  Tian, Xiaohua;  Zhou, Liwen;  Zhang, Kun;  Zhao, Qiu;  Li, Hongxing;  Shi, Dingding;  Ma, Tianyou;  Wang, Cheng;  Wen, Qinlong;  Tan, Changlong
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Thermal hysteresis  NiTi shape memory alloys  Machine learning  XGBoost  First-principles calculations  
One-Step Growth of Bilayer 2H-1T?MoTe2 van der Waals Heterostructures with Interlayer-Coupled Resonant Phonon Vibration 期刊论文
ACS NANO, 2022, 卷号: 16, 期号: 7, 页码: 11268-11277
Authors:  Guo, Zenglong;  Wang, Lei;  Han, Mengjiao;  Zhao, Erding;  Zhu, Liang;  Guo, Weiteng;  Tan, Junyang;  Liu, Bilu;  Chen, Xing-Qiu;  Lin, Junhao
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MoTe2  salt-assisted CVD growth  van der Waals heterostructure  polarized Raman spectroscopy  first-principles calculation  
One-Step Growth of Bilayer 2H-1T' MoTe2 van der Waals Heterostructures with Interlayer-Coupled Resonant Phonon Vibration 期刊论文
ACS NANO, 2022, 页码: 10
Authors:  Guo, Zenglong;  Wang, Lei;  Han, Mengjiao;  Zhao, Erding;  Zhu, Liang;  Guo, Weiteng;  Tan, Junyang;  Liu, Bilu;  Chen, Xing-Qiu;  Lin, Junhao
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MoTe2  salt-assisted CV D growth  van der Waals heterostructure  polarized Raman spectroscopy  first-principles calculation  
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

  
Controlling the nucleation of multiple precipitates in precipitation-strengthened steel through Mo partitioning 期刊论文
MATERIALS SCIENCE AND TECHNOLOGY, 2022, 页码: 6
Authors:  Qiu, Nianshuang;  Shen, Zhuang;  Zuo, Xiaowei;  Zhou, Gang
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Nanoparticles  Mo addition  Precipitation-strengthened steel  Atom probe tomography  First-principles calculation  
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