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First-principles study of He retention and clustering in Al-Ga alloy 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2022
作者:  Wei, Liuming;  Li, Jingyu;  Li, Yonggang;  Ye, Xiaoqiu;  Niu, Caoping;  Zheng, Qirong;  Cheng, Fan;  Zhang, Chuanguo;  Zeng, Zhi
收藏  |  浏览/下载：48/0  |  提交时间：2022/12/23
He ion-irradiation  Al-Ga alloy  first-principles  He clusters  
Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14
作者:  Lu, Ning;  Wang, Kai;  Jiang, Jiaxin;  Guo, Hongyan;  Zuo, Gui Zhong;  Zhuo, Zhiwen;  Wu, Xiaojun;  Zeng, Xiao Cheng
收藏  |  浏览/下载：58/0  |  提交时间：2022/12/23
two-dimensional functional material  lithium storage  anode material  lithium batteries  first-principles computation  
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：47/0  |  提交时间：2022/12/23
SiC ceramics  Grain boundaries  Helium segregation  First-principles calculations  Diffusion  
Effects of oxygen concentration and irradiation defects on the oxidation corrosion of body-centered-cubic iron surfaces: A first-principles study 期刊论文
CHINESE PHYSICS B, 2022, 卷号: 31
作者:  Ye, Zhiqiang;  Lei, Yawei;  Zhang, Jingdan;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun;  Wu, Xuebang;  Liu, C. S.;  Hao, Ting;  Wang, Zhiguang
收藏  |  浏览/下载：52/0  |  提交时间：2022/12/23
oxidation corrosion  oxygen concentration  irradiation defects  bcc-Fe surfaces  first-principles study  
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：33/0  |  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：60/0  |  提交时间：2022/05/16
Silicon carbide  Liquid Pb  Bi  First-principles calculations  Dissolution corrosion  Corrosion resistance  
Investigations of Structural, Electronic and Magnetic Properties of MnSe under High Pressure 期刊论文
MATERIALS, 2022, 卷号: 15
作者:  Zhao, Jing;  Zhang, Hanxing;  Niu, Caoping;  Wang, Xianlong
收藏  |  浏览/下载：61/0  |  提交时间：2022/03/21
high pressure  first-principles method  phase transition  spin crossover  MnSe  
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：69/0  |  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：132/0  |  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：23/0  |  提交时间：2023/11/10
Tungsten  Carbon  Transition metal solute  Interactions  First-principles calculations