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科研机构
金属研究所 [84]
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期刊论文 [84]
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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
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
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.
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  |  
浏览/下载:13/0
  |  
提交时间:2021/03/15
Site occupancy
Ab initio calculations
Ni-based single crystal superalloys
Electronic structure
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:77/0
  |  
提交时间:2021/02/02
Nitrides
Thin films
Elastic constants
Point defects
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
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2021/02/02
Nitrides
Thin films
Elastic constants
Point defects
Ab initio calculations
Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 501, 页码: 94-103
作者:
Wang, XX
;
Niu, LL
;
Wang, SQ
;
Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
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  |  
浏览/下载:26/0
  |  
提交时间:2018/06/05
Stacking-fault Energy
Radiation-induced Segregation
High-entropy Alloys
Ab-initio Calculations
Ni-based Alloys
Molecular-dynamics
Defect Evolution
Fcc Metals
Gamma-fe
Irradiation
First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal
期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:
Xue, YB
;
Wang, WY
;
Guo, Y
;
Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
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  |  
浏览/下载:43/0
  |  
提交时间:2018/06/05
Total-energy Calculations
Augmented-wave Method
Doped Basno3
Ab-initio
Barium Stannate
1st Principles
Thin-films
Basis-set
Perovskite
Ceramics
First-principles investigations on structural stability, mechanical, and thermodynamic properties of LaT2Al20 (T = Ti, V, Cr, Nb, and Ta) intermetallic cage compounds
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 12
作者:
Quan Shanyu
;
Zhang Xudong
;
Liu Cong
;
Jiang Wei
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2021/02/02
MAGNETIC-PROPERTIES
CRYSTAL-STRUCTURE
PRECIPITATION KINETICS
THERMAL-PROPERTIES
ELASTIC PROPERTIES
PHASE-STABILITY
AB-INITIO
ZR
SC
ALLOYS
LaT2Al20 intermetallics
mechanical properties
anisotropic properties
dynamical and thermodynamic properties
first-principles calculations
Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations
期刊论文
INTERMETALLICS, 2017, 卷号: 85, 页码: 80-89
Dai, J. H.
;
Song, Y.
;
Yang, R.
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  |  
浏览/下载:30/0
  |  
提交时间:2017/08/17
Titanium aluminides, based on TiAl
Oxidation
Ab-initio calculations
Phase interfaces
Alloying effects on properties of Al2O3 and TiO2 in connection with oxidation resistance of TiAl
期刊论文
INTERMETALLICS, 2016, 卷号: 68, 页码: 57-62
Ping, Fa-Ping
;
Hu, Qing-Miao
;
Bakulin, Alexander V.
;
Kulkova, Svetlana E.
;
Yang, R.
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  |  
浏览/下载:19/0
  |  
提交时间:2016/04/21
Aluminides
Oxidation
Point defects
Ab-initio calculations
Phase stability
Prediction
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