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科研机构
金属研究所 [12]
内容类型
期刊论文 [12]
发表日期
2011 [6]
2008 [2]
2007 [1]
2006 [1]
2005 [2]
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Pressure-induced structural transition of OsN2 and effect of metallic bonding on its hardness
期刊论文
EPL, 2011, 卷号: 95, 期号: 6, 页码: 6
作者:
Wang, Zhen-Hua
;
Kuang, Xiao-Yu
;
Zhong, Ming-Min
;
Lu, Peng
;
Mao, Ai-Jie
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2021/02/02
First-principles study on influence of alloying element substitution on dehydrogenation ability of Li-4 BN3 H-10 hydrogen storage materials
期刊论文
ACTA PHYSICA SINICA, 2011, 卷号: 60, 期号: 4, 页码: 6
作者:
Zhang Hui
;
Zhang Guo-Ying
;
Xiao Ming-Zhu
;
Lu Guang-Xia
;
Zhu Sheng-Long
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/02/02
hydrogen storage materials
first-principles calculation
element substitution
dehydrogenation
The role of vacancy, impurity, impurity-vacancy complex in the kinetics of LiNH2 complex hydrides: a first-principles study
期刊论文
CHINESE PHYSICS B, 2011, 卷号: 20, 期号: 3, 页码: 6
作者:
Liu Gui-Li
;
Zhang Guo-Ying
;
Zhang Hui
;
Zhu Sheng-Long
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2021/02/02
LiNH2
first-principles calculation
impurity-vacancy complexes
dehydrogenating properties
First-principles study on influence of alloying element substitution on dehydrogenation ability of Li(4) BN(3) H(10) hydrogen storage materials
期刊论文
Acta Physica Sinica, 2011, 卷号: 60, 期号: 4
H. Zhang
;
G. Y. Zhang
;
M. Z. Xiao
;
G. X. Lu
;
S. L. Zhu
;
K. Zhang
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2012/04/13
hydrogen storage materials
first-principles calculation
element
substitution
dehydrogenation
linh2
Pressure-induced structural transition of OsN(2) and effect of metallic bonding on its hardness
期刊论文
Epl, 2011, 卷号: 95, 期号: 6
Z. H. Wang
;
X. Y. Kuang
;
M. M. Zhong
;
P. Lu
;
A. J. Mao
;
X. F. Huang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2012/04/13
nitride
platinum
The role of vacancy, impurity, impurity-vacancy complex in the kinetics of LiNH(2) complex hydrides: a first-principles study
期刊论文
Chinese Physics B, 2011, 卷号: 20, 期号: 3
G. L. Liu
;
G. Y. Zhang
;
H. Zhang
;
S. L. Zhu
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2012/04/13
LiNH(2)
first-principles calculation
impurity-vacancy complexes
dehydrogenating properties
hydrogen storage
nitrides
The alloying mechanisms of Re, Ru in the quaternary Ni-based superalloys gamma/gamma ' interface: A first principles calculation
期刊论文
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2008, 卷号: 490, 期号: 1-2, 页码: 242-249
Y. J. Wang
;
C. Y. Wang
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  |  
浏览/下载:13/0
  |  
提交时间:2012/04/13
Ni-based superalloys
interface
site preference
strengthening
partitioning
single-crystal superalloys
site substitution
phase-stability
lattice
misfit
pseudopotentials
gamma'-ni3al
temperature
preference
elements
ni3al
Elastic stability of beta-Ti under pressure calculated using a first-principles plane-wave pseudopotential method
期刊论文
Physical Review B, 2008, 卷号: 78, 期号: 5
Q. M. Hu
;
S. Lu
;
R. Yang
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  |  
浏览/下载:8/0
  |  
提交时间:2012/04/13
ab-initio
electronic-structure
crystal-structures
phase-transition
zirconium
nb
instabilities
titanium
stress
metal
First principles study of structural phase transition of YSb and ScSb compounds
期刊论文
Solid State Communications, 2007, 卷号: 141, 期号: 7, 页码: 359-364
Z. J. Chen
;
H. Y. Xiao
;
X. T. Zu
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2012/04/13
crystal binding and equation of state
electronic band structure
phase
transition
nacl-type structure
high-pressures
pseudopotentials
state
First-principles study of alloying effect of Re on properties of Ni/Ni3Al interface
期刊论文
Computational Materials Science, 2006, 卷号: 38, 期号: 2, 页码: 354-361
P. Peng
;
A. K. Soh
;
R. Yang
;
Z. Q. Hu
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2012/04/14
interface structure
first-principle electron theory
alloying effects
single-crystal superalloys
gamma/gamma' interface
electronic-structure
atom-probe
principles
elements
gamma'
ru
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