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Physical properties and radiation tolerance of high-entropy pyrochlores Gd-2(Ti0.25Zr0.25Sn0.25Hf0.25)(2)O-7 and individual pyrochlores Gd2X2O7 (X=Ti, Zr, Sn, Hf) from first principles calculations 期刊论文
SCRIPTA MATERIALIA, 2022, 卷号: 220, 页码: 114898
作者:  Liu, Chenguang;  Peng Q(彭庆);  Shi, Tan;  Gao, Fei;  Li, Yuhong
收藏  |  浏览/下载:16/0  |  提交时间:2022/10/23
Rhombohedral-Orthorhombic Ferroelectric Morphotropic Phase Boundary Associated with a Polar Vortex in BiFeO3 Films 期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 11, 页码: 11098-11105
作者:  Geng, WR;  Guo, XW;  Zhu, YL;  Tang, YL;  Feng, YP
收藏  |  浏览/下载:39/0  |  提交时间:2018/12/25
Revealing the local lattice strains and strengthening mechanisms of Ti alloys 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 152, 页码: 169-177
作者:  Zou, CX;  Li, JS;  Wang, WY;  Zhang, Y;  Tang, B
收藏  |  浏览/下载:183/0  |  提交时间:2018/12/25
Comprehensive first-principles study of transition-metal substitution in the gamma phase of nickel-based superalloys 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2018, 卷号: 61, 页码: 41-49
作者:  Chen, WL;  Xing, WW;  Ma, H;  Ding, XY;  Chen, XQ
收藏  |  浏览/下载:36/0  |  提交时间:2018/12/25
Atomic-scale observation and analysis of chemical ordering in M3B2 and M5B3 borides 期刊论文
ACTA MATERIALIA, 2018, 卷号: 149, 页码: 274-284
作者:  Hu, XB;  Niu, HY;  Ma, XL;  Oganov, AR;  Fisher, CAJ
收藏  |  浏览/下载:36/0  |  提交时间:2018/06/05
Spontaneous antiferromagnetic order and strain effect on electronic properties of alpha-graphyne 期刊论文
CARBON, 2018, 卷号: 131, 页码: 223-228
作者:  Dong, BJ;  Guo, HH;  Liu, ZY;  Yang, T;  Tao, P
收藏  |  浏览/下载:31/0  |  提交时间:2018/06/05
Insight into solid-solution strengthened bulk and stacking faults properties in Ti alloys: a comprehensive first-principles study 期刊论文
JOURNAL OF MATERIALS SCIENCE, 2018, 卷号: 53, 期号: 10, 页码: 7493-7505
作者:  Wang, WY;  Zhang, Y;  Li, JS;  Zou, CX;  Tang, B
收藏  |  浏览/下载:28/0  |  提交时间:2018/06/05
Energy paths of twin-related lattice reorientation in hexagonal metals via ab initio calculations 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 4, 页码: 700-707
作者:  Zhou, G;  Ye, LH;  Wang, H;  Xu, DS;  Meng, CG
收藏  |  浏览/下载:23/0  |  提交时间:2018/06/05
Coexistence of rhombohedral and orthorhombic phases in ultrathin BiFeO3 films driven by interfacial oxygen octahedral coupling 期刊论文
ACTA MATERIALIA, 2018, 卷号: 145, 页码: 220-226
作者:  Han, MJ;  Wan, YJ;  Ma, DS;  Zhu, YL;  Tang, YL
收藏  |  浏览/下载:28/0  |  提交时间:2018/06/05
Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 2, 页码: 355-364
作者:  Chen, WL;  Ding, XY;  Feng, YC;  Liu, XJ;  Liu, K
收藏  |  浏览/下载:33/0  |  提交时间:2018/06/05


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