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First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
作者:
Liu, Mingfeng
;
Wang, Lei
;
Wang, Jiantao
;
Zhu, Heyu
;
Ma, Hui
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2022/09/16
First-principles calculations
Variable-composition evolutionary structure search
Pd-Nb binary system
Intermetallics
Electronic structures
Elastic properties
Exploring the effects of temperature-driven phase transition on supercapacitive performance of cobalt diselenide
期刊论文
JOURNAL OF POWER SOURCES, 2022, 卷号: 541
作者:
Li, Mingjie
;
Liu, Weizhe
;
Ju, Jiaming
;
Xie, Lixiang
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  |  
浏览/下载:24/0
  |  
提交时间:2022/07/19
Cobalt diselenide
Phase transition
Supercapacitor
Density function theory
Phase Decomposition and Elevated Temperature Mechanical Properties of Zr-Ti-Nb-Ta-Sn Complex Concentrated Alloy Annealed at Intermediate Temperatures
期刊论文
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2022, 页码: 12
作者:
Zhou, Yongkang
;
Zeng, Shuai
;
Zhu, Yuhui
;
Zhao, Bowen
;
Li, Huan
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  |  
浏览/下载:16/0
  |  
提交时间:2022/10/08
Formation and Performance of Diamond (111)/Cu Interface from First-Principles Calculation
期刊论文
COATINGS, 2022, 卷号: 12, 期号: 5
作者:
Zhao, Yongsheng
;
Yan, Fengyun
;
An, Yi
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  |  
浏览/下载:26/0
  |  
提交时间:2022/06/21
composite
adsorption energies
first principles
ABINIT
Stabilization of hexazine rings in potassium polynitride at high pressure
期刊论文
NATURE CHEMISTRY, 2022
作者:
Wang, Yu
;
Bykov, Maxim
;
Chepkasov, Ilya
;
Samtsevich, Artem
;
Bykova, Elena
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  |  
浏览/下载:22/0
  |  
提交时间:2022/05/16
Evolution mechanisms of microstructure and mechanical properties in a friction stir welded ultrahigh-strength quenching and partitioning steel
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 102, 页码: 213-223
作者:
Wang, Z. W.
;
Zhang, J. F.
;
Xie, G. M.
;
Wu, L. H.
;
Zhang, H.
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浏览/下载:21/0
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提交时间:2022/07/01
Ultrahigh-strength Q&
P steel
Friction stir welding
Microstructure
Mechanical property
Strain hardening
First-principles study of helium-vacancy complexes in Be12Ti
期刊论文
PHYSICS LETTERS A, 2022, 卷号: 424, 页码: 6
作者:
Zhu, Xiaolu
;
Zhang, Yaowen
;
Tang, Wei
;
Meng, Zhaocang
;
Li, Wentao
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浏览/下载:16/0
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提交时间:2022/04/11
First-principles calculations
He-vacancy complexes
Vacancy trapping
Be12Ti
Catalytic Performance of Amorphous Alloy in Wastewater Treatment
期刊论文
Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 2
作者:
Pei, Liefei
;
Zhang, Xiangyun
;
Yuan, Zizhou
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  |  
浏览/下载:32/0
  |  
提交时间:2022/04/21
Activation energy
Amorphous alloys
Azo dyes
Catalysis
Catalyst activity
Copper alloys
Electron transport properties
Heavy metals
Leaching
Passivation
Rate constants
Redox reactions
Reusability
Wastewater treatment
Azo-dyes
Catalytic performance
Degradation agents
Degradation efficiency
Dyes wastewaters
Printing and dyeing
Reaction activity
Source of waters
Zero-valent iron
]+ catalyst
Toward the Rational Design of Mid-Infrared Nonlinear Optical Materials with Targeted Properties via a Multi-Level Data-Driven Approach
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 卷号: 32, 期号: 23, 页码: 1-9
作者:
Cai, WB (Cai, Wenbing) [1]
;
Abudurusuli, A (Abudurusuli, Ailijiang) [1] , [2]
;
Xie, CW (Xie, Congwei) [1]
;
Tikhonov, E (Tikhonov, Evgenii) [1]
;
Li, JJ (Li, Junjie) [1] , [2]
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/06/21
crystal structure prediction
high-throughput computation and screening
machine learning
nonlinear optical material
second harmonic generation response
Application of fe-based amorphous alloy in industrial wastewater treatment: A review
期刊论文
Journal of Renewable Materials, 2022, 卷号: 10, 期号: 4, 页码: 969-991
作者:
Pei, Liefei
;
Zhang, Xiangyun
;
Yuan, Zizhou
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  |  
浏览/下载:30/0
  |  
提交时间:2022/04/21
Activation energy
Chemicals removal (water treatment)
Degradation
Functional materials
Heavy metals
Industrial water treatment
Iron alloys
Rapid solidification
Redox reactions
Wastewater treatment
Advanced oxidation
Alloy melt
Direct Reduction
Equilibrium positions
Fe-based amorphous alloy
Industrial wastewater treatment
Industrial wastewaters
Reaction activity
Solid alloys
Solidification of alloys
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