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STRUCTURAL AND ELASTIC PROPERTIES OF AgNi10 ALLOY STUDIED WITH AB-INITIO CALCULATIONS
期刊论文
MATERIALI IN TEHNOLOGIJE, 2022, 卷号: 56, 期号: 2, 页码: 149-157
作者:
Liu, Jide
;
Wang, Xue
;
Du, Xaoming
;
Xie, Ming
;
Li, Jinguo
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/07/01
AgNi10 alloy
ab initio calculations
elastic anisotropy
thermodynamic properties
Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes
期刊论文
ACS NANO, 2021, 卷号: 15
作者:
Yang, Kaishuai
;
Liu, Dayong
;
Qian, Zhengfang
;
Jiang, Dongting
;
Wang, Renheng
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2022/03/21
sodium-ion solid-state electrolytes
all-solid-state sodium batteries
computational auxiliary
ab initio calculations
molecular dynamics simulations
nanoscale insight
ion transport mechanisms
sodium-ion conductor
Influence of Alloy Atoms on Substitution Properties of Hydrogen by Helium in ZrCoH3
期刊论文
MATERIALS, 2021, 卷号: 14
作者:
Wang, Panpan
;
Cao, Qilong
;
You, Yuwei
;
Kong, Xiangshan
;
Wu, Xuebang
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2022/01/10
ZrCo alloys
disproportionation reaction
fixing helium
ab initio calculations
Structure-composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys
期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2021, 卷号: 154, 页码: 9
作者:
Xue, Hongtao
;
Lei, Chao
;
Tang, Fuling
;
Li, Xiuyan
;
Luo, Yaqiao
收藏
  |  
浏览/下载:56/0
  |  
提交时间:2021/10/15
Alloys
Ab initio calculations
Electronic structure
Thermodynamic properties
Mechanical properties
Structure-composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys
期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2021, 卷号: 154
作者:
Xue, Hongtao
;
Lei, Chao
;
Tang, Fuling
;
Li, Xiuyan
;
Luo, Yaqiao
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2021/10/14
Alloys
Ab initio calculations
Electronic structure
Thermodynamic properties
Mechanical properties
Structurecomposition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys
期刊论文
Journal of Physics and Chemistry of Solids, 2021, 卷号: 154
作者:
Xue, Hongtao
;
Lei, Chao
;
Tang, Fuling
;
Li, Xiuyan
;
Luo, Yaqiao
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/06/03
Alloying
Alloying elements
Binary alloys
Calculations
Chemical bonds
Copper alloys
Electronic structure
Fracture toughness
Nanocrystals
Segregation (metallography)
Separation
Structural properties
Thermodynamic stability
Ab initio calculations
Cr segregation
Electronic.structure
Grain-boundaries
Grain-boundary energy
Mechanical
Property
Thermodynamics property
Tilt grain boundary
Work of separation
Interaction of irradiation-induced point defects with transmutants (H, He, Li, Be, B, Mg, Al and P) in 3C-SiC ceramics
期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2020, 卷号: 40
作者:
Sun, Jingjing
;
You, Yu-Wei
;
Xu, Yichun
;
Wu, Xuebang
;
Li, B. S.
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2020/10/26
Cubic silicon carbide
Point defect
Structural materials
Transmutants
Ab initio calculations
AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS
期刊论文
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
作者:
Liu, J.
;
Du, X.
;
Li, J.
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/03/15
Site occupancy
Ab initio calculations
Ni-based single crystal superalloys
Electronic structure
A combined experiment and first-principles study on lattice dynamics of thermoelectric CuInTe2
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 822
作者:
Yu, Hao
;
Huang, Ge
;
Peng, Qing
;
Chen, Liu-Cheng
;
Pang, Hong-Jie
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/11/26
Chalcopyrite compounds
X-ray diffraction
Raman spectra
Ab initio calculations
Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering
期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
作者:
Abadias, Gregory
;
Li, Chen-Hui
;
Belliard, Laurent
;
Hu, Qing Miao
;
Greneche, Nicolas
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  |  
浏览/下载:78/0
  |  
提交时间:2021/02/02
Nitrides
Thin films
Elastic constants
Point defects
Ab initio calculations
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