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科研机构
金属研究所 [95]
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期刊论文 [95]
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First-Principles Study on Free Energy and Elastic Properties of Disordered beta-Ti1-xNbx Alloy: Comparison Between SQS and CPA
期刊论文
ACTA METALLURGICA SINICA, 2020, 卷号: 56, 期号: 9, 页码: 1304-1312
作者:
Zhang Haijun
;
Qiu Shi
;
Sun Zhimei
;
Hu Qingmiao
;
Yang Rui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/02/02
titanium alloy
random solid solution
special quasirandom structure
coherent potential approximation
elastic constant
first-principles calculation
Effects of Crystal Orientations on the Low-Cycle Fatigue of a Single-Crystal Nickel-Based Superalloy at 980 degrees C
期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2019, 卷号: 32, 期号: 3, 页码: 381-390
作者:
Liu, Liu
;
Meng, Jie
;
Liu, Jin-Lai
;
Zhang, Hai-Feng
;
Sun, Xu-Dong
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  |  
浏览/下载:7/0
  |  
提交时间:2021/02/02
Single-crystal superalloy
Low-cycle fatigue
Anisotropy
Fracture behavior
On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166
作者:
Zhang, LJ
;
Chen, ZY
;
Hu, QM
;
Yang, R
;
Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
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浏览/下载:44/0
  |  
提交时间:2018/06/05
Grain-boundary Segregation
Austenitic Stainless-steel
Total-energy Calculations
Augmented-wave Method
Elastic Band Method
Alloying Elements
Self-diffusion
Impurity Diffusion
1st Principles
Saddle-points
Three-Phase Microstructure Topology Optimization of Two-Dimensional Phononic Bandgap Materials Using Genetic Algorithms
期刊论文
ACTA MECHANICA SOLIDA SINICA, 2018, 卷号: 31, 期号: 6, 页码: 775-784
作者:
Xu Weikai
;
Ning Jinying
;
Zhang Meng
;
Wang Wei
;
Yang Tianzhi
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  |  
浏览/下载:4/0
  |  
提交时间:2021/02/26
DISPERSIVE ELASTODYNAMICS
BANDED MATERIALS
DESIGN
CRYSTALS
GAPS
1D
Phononic bandgap materials
Multiphase microstructures
Topology optimization
Standing wave effect and fractal structure in dislocation evolution
期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7, 页码: -
Li, P.
;
Zhang, Z. F.
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浏览/下载:24/0
  |  
提交时间:2017/08/17
CPA descriptions of random Cu-Au alloys in comparison with SQS approach
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 128, 页码: 302-309
Tian, Li-Yun
;
Ye, Li-Hua
;
Hu, Qing-Miao
;
Lu, Song
;
Zhao, Jijun
;
Vitos, Levente
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  |  
浏览/下载:91/0
  |  
提交时间:2017/08/17
Local lattice distortion
Formation enthalpy
Elastic constant
Special quasi-random structure (SQS)
Cu-Au alloys
First principles study of the elastic properties of Li2MnSiO4-ySy
期刊论文
Journal of Materials Chemistry A, 2015, 卷号: 3, 期号: 10, 页码: 5449-5456
L.
;
Li Zhu, L.
;
Cheng, T. M.
;
Xu, D. S.
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  |  
浏览/下载:15/0
  |  
提交时间:2015/05/08
total-energy calculations
lithium-ion batteries
wave basis-set
cathode materials
plane-wave
electrochemical performance
dft
calculations
li2fesio4
li
stability
Adsorption and diffusion of oxygen on gamma-TiAl(001) and (100) surfaces
期刊论文
Computational Materials Science, 2015, 卷号: 97, 页码: 55-63
S. E. Kulkova
;
A. V. Bakulin
;
Q. M. Hu
;
R. Yang
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  |  
浏览/下载:21/0
  |  
提交时间:2015/01/14
Adsorption
TiAl surfaces
Oxygen diffusion
Electronic structure
density-functional theory
total-energy calculations
titanium-aluminum-alloys
wave basis-set
oxidation behavior
ti-al
initial oxidation
elastic-constants
1st-principles
hydrogen
Theoretical study of oxygen sorption and diffusion in the volume and on the surface of a gamma-TiAl alloy
期刊论文
Journal of Experimental and Theoretical Physics, 2015, 卷号: 120, 期号: 2, 页码: 257-267
A. V.
;
Kulkova Bakulin, S. E.
;
Hu, Q. M.
;
Yang, R.
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  |  
浏览/下载:15/0
  |  
提交时间:2015/05/08
total-energy calculations
wave basis-set
titanium aluminides
oxidation behavior
initial oxidation
elastic-constants
al
adsorption
hydrogen
system
The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg-Zn-Y alloys: a first-principles study
期刊论文
Journal of Materials Science, 2014, 卷号: 49, 期号: 2, 页码: 737-748
S. Y. Ma
;
L. M. Liu
;
S. Q. Wang
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  |  
浏览/下载:36/0
  |  
提交时间:2014/02/19
total-energy calculations
wave basis-set
mechanical-properties
magnesium
strength
system
faults
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