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科研机构
金属研究所 [35]
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期刊论文 [35]
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2022 [1]
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Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method
期刊论文
CARBON, 2022, 卷号: 191, 页码: 350-361
作者:
Long, X. H.
;
Setyawan, W.
;
Tai, K. P.
;
Liu, Y.
;
Yu, M. S.
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  |  
浏览/下载:25/0
  |  
提交时间:2022/07/01
Molecular dynamics
Graphite
Atomic implantation
Radiation defects
Bending properties
First principles investigations of hydrogen interaction with vacancy-oxygen complexes in vanadium alloys
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 48, 页码: 26637-26645
作者:
Zhang, Pengbo
;
Zou, Tingting
;
Feng, Shaobo
;
Zhao, Jijun
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  |  
浏览/下载:26/0
  |  
提交时间:2021/02/02
Hydrogen
Vacancy-oxygen
Vanadium alloys
First principles calculations
Deformation induced twinning and phase transition in an interstitial intermetallic compound niobium boride
期刊论文
ACTA MATERIALIA, 2019, 卷号: 165, 页码: 459-470
作者:
Jiang, Binbin
;
Chen, Chunjin
;
Wang, Xuelu
;
Wang, Hao
;
Wang, Weizhen
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  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
Twinning
Phase transition
Stacking faults
Interstitial compound
Scanning transmission electron microscopy
Effect of Intercritical Dislocation Multiplication to Mn Partitioning and Microstructure Evolution of Bainite in Low Carbon Steel
期刊论文
ACTA METALLURGICA SINICA, 2017, 卷号: 53, 期号: 11, 页码: 1418-1426
作者:
Chen Liansheng
;
Li Yue
;
Zhang Mingshan
;
Tian Yaqiang
;
Zheng Xiaoping
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  |  
浏览/下载:21/0
  |  
提交时间:2021/02/02
intercritical deformation
dislocation multiplication
vacancy
partitioning
bainite
Interpreting radiation-induced segregation and enhanced radiation tolerance of single-phase concentrated solid-solution alloys from first principles
期刊论文
MATERIALS LETTERS, 2017, 卷号: 202, 页码: 120-122
Wang, Xin-Xin
;
Niu, Liang-Liang
;
Wang, Shaoqing
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  |  
浏览/下载:30/0
  |  
提交时间:2017/08/17
Simulation and modelling
Microstructure
First principles
Interstitial defects
Single-phase concentrated solid-solution alloy
Direct observation of solute interstitials and their clusters in Mg alloys
期刊论文
MATERIALS CHARACTERIZATION, 2017, 卷号: 128, 页码: 226-231
Yang, Z. Q.
;
Ma, S. Y.
;
Hu, Q. M.
;
Ye, H. Q.
;
Chisholm, M. F.
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  |  
浏览/下载:22/0
  |  
提交时间:2017/08/17
Interstitial
Crowdion
Dumbbell
Aberration-corrected electron microscopy
Density functional theory
Trapping of interstitial defects: filling the gap between the experimental measurements and DFT calculations
期刊论文
Journal of Physics-Condensed Matter, 2013, 卷号: 25, 期号: 43
L. G. Zhu
;
H. Wang
;
Q. M. Hu
;
G. J. Ackland
;
R. Yang
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  |  
浏览/下载:12/0
  |  
提交时间:2013/12/24
solid-solutions
diffusion
oxygen
niobium
hydrogen
alloys
metals
energy
oxidation
titanium
Mechanism of Intrinsic Point Defects and Oxygen Diffusion in Yttrium Aluminum Garnet: First-Principles Investigation
期刊论文
Journal of the American Ceramic Society, 2012, 卷号: 95, 期号: 11, 页码: 3628-3633
Z. Li
;
B. Liu
;
J. M. Wang
;
L. C. Sun
;
J. Y. Wang
;
Y. C. Zhou
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  |  
浏览/下载:14/0
  |  
提交时间:2013/02/05
yag ceramics
electronic-structure
optical-properties
elastic
stiffness
melting behavior
ab-initio
polycrystalline
crystals
state
luminescence
Mechanisms of Mono-Vacancy and Oxygen Permeability in Y2SiO5 Orthosilicate Studied by First-Principles Calculations
期刊论文
Journal of the American Ceramic Society, 2012, 卷号: 95, 期号: 3, 页码: 1093-1099
B. Liu
;
J. M. Wang
;
F. Z. Li
;
J. Y. Wang
;
Y. C. Zhou
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2013/02/05
self-diffusion
silicon-nitride
luminescence
laser
defects
simulation
deposition
beta-ga2o3
stability
sapphire
Mechanism of the influence of the interaction between interstitial H atom and doped atom on the dehydrogenation performance of LiNH2
期刊论文
ACTA PHYSICA SINICA, 2011, 卷号: 60, 期号: 11, 页码: 5
作者:
Lu Guang-Xia
;
Zhang Hui
;
Zhang Guo-Ying
;
Liang Ting
;
Li Dan
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2021/02/02
hydrogen storage materials
first-principles calculation
defect
dehydrogenation mechanics
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