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科研机构
湖南大学 [147]
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期刊论文 [144]
会议论文 [3]
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2019 [33]
2018 [13]
2017 [12]
2016 [18]
2015 [12]
2014 [11]
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专题:湖南大学
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Effect of atom adsorption on the electronic, magnetic, and optical properties of the GeP monolayer: A first-principle study
期刊论文
Applied Surface Science, 2019, 卷号: Vol.475, 页码: 863-872
作者:
Jing Zhang
;
Gui Yang
;
Junlong Tian
;
Zhi Wang
;
Yanan Tang
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/13
First-principles
calculations
Atom
surface
adsorption
Electronic,
magnetic,
and
optical
properties
GeP
monolayer
First-principles study of phase stability and elastic properties in metastable Ti-Mo alloys with cluster structure
期刊论文
MOLECULAR SIMULATION, 2019, 卷号: Vol.45 No.1, 页码: 26-34
作者:
Li, Mingjia
;
Min, Xiaohua
;
Ye, Fei
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  |  
浏览/下载:14/0
  |  
提交时间:2019/12/13
Study on the surface activity of t-YSZ nanomaterials by first-principles calculation
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: Vol.471, 页码: 1072-1082
作者:
Li, BT
;
Zheng, HZ
;
Li, GF
;
Chen, Z
;
Zhou, PF
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  |  
浏览/下载:7/0
  |  
提交时间:2019/12/13
t-YSZ nanomaterials
Surface activity
Microfacet models
First-principles calculation
Effect of Al solute concentration on mechanical properties of AlFeCuCrNi high-entropy alloys: A first-principles study
期刊论文
Physica B: Condensed Matter, 2019, 卷号: Vol.566, 页码: 30-37
作者:
Qingkun Zhao
;
Jia Li
;
Qihong Fang
;
Hui Feng
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2019/12/13
High entropy alloys
Mechanical properties
Stacking fault energy
Al concentration
First principle calculation
Virtual crystal approximation
A comparative first-principles study of point defect properties in the layered MX2 (M = Mo, W; X = S, Te): Substitution by the groups III, V and VII elements.
期刊论文
Computational Materials Science, 2019, 卷号: Vol.156, 页码: 280-285
作者:
Guo, D
;
Yang, KK
;
Shen, T
;
Xiao, J
;
Tang, LM
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/13
TRANSITION metals
*DOPING agents (Chemistry)
*SEMICONDUCTOR doping
*DENSITY functional theory
*CATIONS
On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study
期刊论文
Journal of Alloys and Compounds, 2019, 卷号: Vol.776, 页码: 807-818
作者:
Yong Zhang
;
Jinming Guo
;
Jianghua Chen
;
Cuilan Wu
;
Karoline Sophie Kormout
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/12/13
Nanocrystalline Cu alloys
Stacking fault energy
Deformation mechanism
First-principles calculations
HRTEM
On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study.
期刊论文
Journal of Alloys & Compounds, 2019, 卷号: Vol.776, 页码: 807-818
作者:
Zhang, Yong
;
Guo, Jinming
;
Chen, Jianghua
;
Wu, Cuilan
;
Kormout, Karoline Sophie
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2019/12/13
Deformation mechanism
First-principles calculations
HRTEM
Nanocrystalline Cu alloys
Stacking fault energy
Study on the surface activity of t-YSZ nanomaterials by first-principles calculation
期刊论文
Applied Surface Science, 2019, 卷号: Vol.471, 页码: 1072-1082
作者:
Bingtian Li
;
Haizhong Zheng
;
Guifa Li
;
Zheng Chen
;
Peifeng Zhou
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/13
t-YSZ nanomaterials
Surface activity
Microfacet models
First-principles calculation
On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study
期刊论文
Journal of Alloys and Compounds, 2019, 卷号: Vol.776, 页码: 807-818
作者:
Zhang, Yong
;
Guo, Jinming
;
Chen, Jianghua
;
Wu, Cuilan
;
Kormout, Karoline Sophie
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2019/12/13
Effects of Solute Atoms on 9R Phase Stabilization in High-Performance Al Alloys: A First-Principles Study
期刊论文
JOM, 2019
作者:
Wang, Zhipeng
;
Fang, Qihong
;
Fan, Touwen
;
Chen, Dongchu
;
Liu, Bin
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/13
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