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Chinese Academy of Sciences Institutional Repositories Grid
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金属研究所 [7]
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期刊论文 [15]
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Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys
期刊论文
OAI收割
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8
作者:
Qiu, Shi
;
Chen, Shu-Ming
;
Naihua, Naihua
;
Zhou, Jian
;
Hu, Qing-Miao
  |  
收藏
  |  
浏览/下载:130/0
  |  
提交时间:2021/11/22
Local chemical ordering
High entropy alloy
First-principles calculations
Mechanical properties
Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys
期刊论文
OAI收割
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 886, 页码: 8
作者:
Qiu, Shi
;
Chen, Shu-Ming
;
Naihua, Naihua
;
Zhou, Jian
;
Hu, Qing-Miao
  |  
收藏
  |  
浏览/下载:135/0
  |  
提交时间:2021/11/22
Local chemical ordering
High entropy alloy
First-principles calculations
Mechanical properties
Isomeric Compound Dendrites on a Monolayer WS2 Substrate: Morphological Engineering and Formation Mechanism
期刊论文
OAI收割
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 8, 页码: 8408-8416
作者:
Shen, Jun
;
Zhan, Li
;
Wang, Caimu
;
Wu, Chuanqiang
;
Zhang, Xiaoxian
  |  
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2021/11/26
WS2
isomeric
dendrites
first-principles calculation
chemical vapor deposition (CVD)
Na3Zr2Si2PO12: A Stable Na+-Ion Solid Electrolyte for Solid-State Batteries
期刊论文
OAI收割
ACS APPLIED ENERGY MATERIALS, 2020, 卷号: 3, 期号: 8, 页码: 7427-7437
作者:
Zhang, Zhizhen
;
Wenzel, Sebastian
;
Zhu, Yizhou
;
Sann, Joachim
;
Shen, Lin
  |  
收藏
  |  
浏览/下载:74/0
  |  
提交时间:2020/12/16
INTERPHASE FORMATION
ELECTROCHEMICAL PERFORMANCE
INTERFACIAL REACTIVITY
CHEMICAL-STABILITY
ROOM-TEMPERATURE
CHARGE-TRANSFER
SODIUM METAL
LITHIUM
CONDUCTOR
PRINCIPLES
Temperature-dependent dissolution and diffusion of H isotopes in iron for nuclear energy applications: First-principles and vibration spectrum predictions
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2017, 卷号: 42, 期号: 16, 页码: 11560-11573
作者:
Chen, Qingyuan
;
Yao, Qinglong
;
Liu, Yue-Lin
;
Han, Quan-Fu
;
Ding, Fang
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2018/06/04
Iron
Hydrogen Dissolution And Diffusion
Temperature And h Chemical Potential
First-principles
Vibration Spectrum Calculations
First-principles energy and vibration spectrum simulations of Cr/V interacting with H in W-based alloy in a fusion reactor
期刊论文
OAI收割
JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 2017, 卷号: 55, 期号: 2, 页码: 123-137
作者:
Gao, Song
;
Liu, Yue-Lin
;
Dai, Zhen-Hong
;
Han, Quan-Fu
;
Ding, Fang
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/02/28
Tungsten-based alloys
fusion reactor
hydrogen formation and diffusion
temperature and H chemical potential
first-principles calculations
Chirality-Dependent Reactivity of Individual Single-Walled Carbon Nanotubes
期刊论文
OAI收割
Small, 2013, 卷号: 9, 期号: 8, 页码: 1379-1386
B. L. Liu
;
H. Jiang
;
A. V. Krasheninnikov
;
A. G. Nasibulin
;
W. C. Ren
;
C. Liu
;
E. I. Kauppinen
;
H. M. Cheng
收藏
  |  
浏览/下载:91/0
  |  
提交时间:2013/12/24
carbon nanotubes
electron diffraction
chirality
chemical reactivity
first-principles calculations
total-energy calculations
wave basis-set
electronic-structure
raman-spectroscopy
growth
graphene
catalyst
purification
separation
efficiency
Effect of rare earth elements on the structures and mechanical properties of magnesium alloys
期刊论文
OAI收割
Chinese Science Bulletin, 2013, 卷号: 58, 期号: 7, 页码: 816-820
Z. Lu
;
J. Zhou
;
Z. M. Sun
;
R. S. Chen
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2013/12/24
magnesium alloys
solid solution hardening
first-principles
chemical
bonding
initio molecular-dynamics
single-crystals
elastic-constants
transition-metals
creep strength
germanium
modulus
Nucleation of Graphene Precursors on Transition Metal Surfaces: Insights from Theoretical Simulations
期刊论文
OAI收割
journal of physical chemistry c, 2013, 卷号: 117, 期号: 28, 页码: 14858-14864
Page AJ
;
Wang Y
;
Li HB
;
Irle S
;
Morokuma K
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2014/04/15
CHEMICAL-VAPOR-DEPOSITION
MOLECULAR-DYNAMICS SIMULATION
CARBON NANOTUBE NUCLEATION
TOTAL-ENERGY CALCULATIONS
SINGLE-LAYER GRAPHENE
WAVE BASIS-SET
GROWTH
1ST-PRINCIPLES
NI(111)
NI
Electronic origin of the anomalous solid solution hardening of Y and Gd in Mg: A first-principles study
期刊论文
OAI收割
Chinese Science Bulletin, 2011, 卷号: 56, 期号: 10, 页码: 1038-1042
L. Gao
;
J. Zhou
;
Z. M. Sun
;
R. S. Chen
;
E. H. Han
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2012/04/13
magnesium alloys
solid solution hardening
first-principles
chemical
bonding
brillouin-zone integrations
augmented-wave method
single-crystals
mechanical-properties
deformation-behavior
magnesium alloys