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Segregation and diffusion behaviours of helium at grain boundaries in silicon carbide ceramics: first-principles calculations and experimental investigations 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42
作者:  Sun, Jingjing;  You, Yu-Wei;  Wu, Xuebang;  Song, Hong-Yue;  Li, B. S.;  Liu, C. S.;  Krsjak, Vladimir
收藏  |  浏览/下载：35/0  |  提交时间：2022/12/23
SiC ceramics  Grain boundaries  Helium segregation  First-principles calculations  Diffusion  
Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2022
作者:  Yang, Yuming;  Zhang, Xuemei;  Liu, Jun;  Zhang, Chuanguo;  Li, Yonggang;  Zeng, Zhi;  Zhang, Yongsheng
收藏  |  浏览/下载：29/0  |  提交时间：2022/12/23
GaN  AlN interface  strain effects  intrinsic point defects  first-principles calculations  diffusion barrier  
Simulation and experimental studies of the dissolution corrosion of 4H-SiC in liquid Pb/Bi 期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 585
作者:  Lei, Yawei;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun;  Wu, Xuebang;  Sun, Meng;  Li, Bingsheng;  Liu, Changsong;  Wang, Zhiguang
收藏  |  浏览/下载：53/0  |  提交时间：2022/05/16
Silicon carbide  Liquid Pb  Bi  First-principles calculations  Dissolution corrosion  Corrosion resistance  
Colossal 3D Electrical Anisotropy of MoAlB Single Crystal 期刊论文
SMALL, 2022, 卷号: 18
作者:  Huang, Yanan;  Si, Jianguo;  Lin, Shuai;  Lv, Hongyan;  Song, Wenhai;  Zhang, Ranran;  Luo, Xuan;  Lu, Wenjian;  Zhu, Xuebin;  Sun, Yuping
收藏  |  浏览/下载：59/0  |  提交时间：2022/03/28
3D anisotropy  electrical transport property  first-principles calculations  MoAlB single crystal  polarized Raman spectra  
Vacancy ordered phases of nonstoichiometric hafnium carbide from evolutionary crystal structure predictions 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2022, 卷号: 891
作者:  Kostenko, Maxim G.;  Li, Jingyu;  Zeng, Zhi;  Zhang, Yongsheng;  Sharf, Sergey V.;  Gusev, Aleksandr I.;  Lukoyanov, Alexey V.
收藏  |  浏览/下载：121/0  |  提交时间：2021/11/15
Hafnium carbide  Nonstoichiometry  Vacancies  Ordering  Crystal structure prediction  Superstructures  Mechanical properties  First-principles calculations  
First-principles study of substitutional solute and carbon interactions in tungsten 期刊论文
TUNGSTEN, 2022, 卷号: 4
作者:  Kong Xiangshan;  Song Chi;  Chen Liang;  Xie Zhuoming;  Liu Changsong;  Hou Jie
收藏  |  浏览/下载：16/0  |  提交时间：2023/11/10
Tungsten  Carbon  Transition metal solute  Interactions  First-principles calculations  
Non-hydrostatic pressure-dependent structural and transport properties of BiCuSeO and BiCuSO single crystals 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 卷号: 33
作者:  Lv, Yang-Yang;  Zhou, Yonghui;  Xu, Lu;  Luo, Yecheng;  Zhang, Yan-Yan;  Cao, Lin;  Zhou, Jian;  Chen, Y. B.;  Yao, Shu-Hua;  Zhang, Shan-Tao;  Yang, Zhaorong;  Chen, Yan-Feng
收藏  |  浏览/下载：46/0  |  提交时间：2021/04/26
non-hydrostatic effect  high throughput first-principles calculations  Raman spectra  transport properties  BiCuXO single crystals  
Mg-doping enhanced superconductivity and ferromagnetism in Ti1-xMgxO films 期刊论文
ACTA MATERIALIA, 2020, 卷号: 200
作者:  Fan, Y. J.;  Gan, H.;  Wang, D.;  Sun, H. Y.;  Ma, C.;  Huang, F. Q.;  Zhou, J.;  Yin, Y. W.;  Li, X. G.
收藏  |  浏览/下载：47/0  |  提交时间：2020/12/28
Ti1-xMgxO films  Doping  Disorder  Superconductivity  Ferromagnetism  First-principles calculations  
Insight into interface cohesion and impurity-induced embrittlement in carbide dispersion strengthen tungsten from first principles 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 538
作者:  Wu, Xuebang;  Zhang, Xu;  Xie, Z. M.;  Li, Xiangyan;  Miranda, C. R.;  Liu, C. S.
收藏  |  浏览/下载：36/0  |  提交时间：2020/10/26
Interfaces  Cohesion  Interfacial segregation  Tungsten  First-principles calculations  
Materials selection for nuclear applications in view of divacancy energies by comprehensive first-principles calculations 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 538
作者:  Zhang, Pengbo;  Li, Yonggang;  Zhao, Jijun
收藏  |  浏览/下载：34/0  |  提交时间：2020/10/26
Metals  Di-vacancy formation energy  Vacancy binding energy  Irradiation performance  First-principles calculations