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清华大学 [19]
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First-principles study of adsorption and migration of alkali and alkaline earth metals (Rb, Cs, and Ba) on graphene
期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 610
作者:
Zhao, Ming
;
Li, Xiaochen
;
Fang, Shuoyang
;
Jiang, Zhizhong
;
Yu, Jie
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2022/12/23
Metals adsorption
Migration barrier
Work function
Defective graphene
B
O doping
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:53/0
  |  
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:8/0
  |  
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
Influence of nitrogen configuration on the electrochemical properties of carbonized poly(acrylonitrile)-ionic liquid as anode materials in lithium ion batteries
期刊论文
Materials Science- Poland, 2020, 卷号: 38, 期号: 4, 页码: 518-525
作者:
Wang, Lei
;
Meng, Yanshuang
;
Du, Mengqi
;
Wang, Gongrui
;
Xia, Jun
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/02/17
Anodes
Carbon
Doping (additives)
Ionic liquids
Nitrogen
Adsorption energies
Carbon precursors
Cohesive energies
Electrochemical test
Initial Coulombic efficiency
Liquid copolymers
Lithium clusters
Rate performance
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:11/0
  |  
提交时间:2020/10/26
Metals
Di-vacancy formation energy
Vacancy binding energy
Irradiation performance
First-principles calculations
Preparation of MoNbTaW refractory high entropy alloy powders by pressureless spark plasma sintering: Crystal structure and phase evolution
期刊论文
Intermetallics, 2020, 卷号: 123
作者:
Han, Jiesheng
;
Su, Bo
;
Lu, Jinjun
;
Meng, Junhu
;
Zhang, Aijun
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2020/11/14
Entropy
High-entropy alloys
Powders
Refractory materials
Spark plasma sintering
Atomic diffusions
Cohesive energies
Continuous solid solutions
Elemental powders
Phase evolutions
Pressure-less spark plasma sintering
Sintering behaviors
Sintering temperatures
Interatomic potentials of W-V and W-Mo binary systems for point defects studies
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 531, 页码: 13
作者:
Chen, Yangchun
;
Liao, Xichuan
;
Gao, Ning
;
Hu, Wangyu
;
Gao, Fei
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2022/01/18
W-V
W-Mo
Interatomic potentials
Point defects
Molecular dynamics simulation
Development of the interatomic potentials for W-Ta system
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 163, 页码: 91-99
作者:
Gao, Fei
;
Chen, Yangchun
;
Fang, Jingzhong
;
Liu, Lixia
;
Hu, Wangyu
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2019/11/10
W-Ta
Interatomic potential
Radiation defects
Molecular dynamics simulation
Study on the effect of post curing on the mode II fracture energy of structural adhesive using a parameter identification approach
期刊论文
International Journal of Adhesion and Adhesives, 2019, 卷号: 95
作者:
Han, Xiao
;
Chao, Yuexing
;
Zhang, Wei
;
Chao, Yuezhen
;
Wu, Chengwei
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/12/02
Crack propagation
Curing
Fracture
Fracture energy
Fracture testing
Genetic algorithms
Parameter estimation, Adhesive bonding
Cohesive zone model
End notched flexures
FE method
Mode - II fracture energies
Multi island genetic algorithms
Numerical approaches
Structural adhesive, Adhesives
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