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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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力学研究所 [8]
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金属研究所 [5]
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期刊论文 [36]
会议论文 [1]
学位论文 [1]
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Chemistry [1]
半导体化学 [1]
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Deformation Mechanisms Dominated by Decomposition of an Interfacial Misfit Dislocation Network in Ni/Ni
3
Al Multilayer Structures
期刊论文
OAI收割
MATERIALS, 2024, 卷号: 17, 期号: 16, 页码: 15
作者:
Zhang, Zhiwei
;
Zhang, Xingyi
;
Yang, Rong
;
Wang, Jun
;
Lu, Chunsheng
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/10/08
Ni/Ni3Al multilayer structures
interfacial misfit dislocation network
dislocation evolution
crystalline orientation effect
molecular dynamics
Size- and temperature-dependent thermal transport across a Cu-diamond interface: Non-equilibrium molecular dynamics simulations
期刊论文
OAI收割
SURFACES AND INTERFACES, 2023, 卷号: 37, 页码: 102736
作者:
Huang, Hai
;
Zhong, Yinghui
;
Cai, Bin
;
Wang, Jiefang
;
Liu, Zhongxia
  |  
收藏
  |  
浏览/下载:75/0
  |  
提交时间:2023/06/15
Interfacial thermal transport
Cu -diamond composites
Size effects
Temperature effects
Non -equilibrium molecular dynamics
Interfacial Characteristics of Graphene-Reinforced Iron Composites: A Molecular Dynamics Study
期刊论文
OAI收割
CRYSTALS, 2023, 卷号: 13, 期号: 1, 页码: 12
作者:
Song, Miaomiao
;
Jin, Jianfeng
;
Wang, Lu
;
Li, Shaojie
;
Wang, Huiming
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/02/27
graphene-reinforced iron matrix composite
interfacial characteristic
molecular dynamics simulation
moire pattern
crystallographic orientation
Partition model for trace elements between liquid metal and silicate melts involving the interfacial transition structure: An exploratory two-phase first-principles molecular dynamics study
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 364, 页码: 14
作者:
Sun, Yiwei
;
Qian, Guoyu
;
Pang, Sheng
;
Lu, Jijun
;
Guo, Jianwei
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2023/02/24
Partition model of trace elements
Two-phase first-principles molecular 
dynamics
Local coordination structure
Interfacial transition structure
Silicon slag refining
Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
期刊论文
OAI收割
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554
作者:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
  |  
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
Interaction between the edge dislocation dipole pair and interfacial misfit dislocation network in Ni-based single crystal superalloys
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES, 2021, 卷号: 228, 页码: 8
作者:
Zhang ZW(张志伟)
;
Fu, Qiang
;
Wang J(王军)
;
Yang R(杨荣)
  |  
收藏
  |  
浏览/下载:79/0
  |  
提交时间:2021/09/08
Ni-based single crystal superalloys
Edge dislocation dipole pair
Interfacial misfit dislocation network
Interacting mechanism
Molecular dynamics
Photodriven water oxidation initiated by a surface bound chromophore-donor-catalyst assembly
期刊论文
OAI收割
CHEMICAL SCIENCE, 2021, 卷号: 12, 期号: 43, 页码: 14441-14450
作者:
Wang, Degao
;
Xu, Zihao
;
Sheridan, Matthew V.
;
Concepcion, Javier J.
;
Li, Fei
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/12/01
INTERFACIAL ELECTRON-TRANSFER
OXYGEN-EVOLVING COMPLEX
METAL-OXIDE SURFACES
ARTIFICIAL PHOTOSYNTHESIS
RECOMBINATION DYNAMICS
HIGHLY EFFICIENT
POLYPYRIDYL DYES
PHOTOSYSTEM-II
BOND FORMATION
SOLAR FUELS
Recent Progress toward Ab Initio Modeling of Electrocatalysis
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 37, 页码: 8924-8931
作者:
Le, Jia-Bo
;
Yang, Xiao-Hui
;
Zhuang, Yong-Bin
;
Jia, Mei
;
Cheng, Jun
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/12/01
MOLECULAR-DYNAMICS SIMULATIONS
FREE-ENERGY
INTERFACIAL WATER
PROTON-TRANSFER
DENSITY
MECHANISMS
REDUCTION
CONSTANT
SURFACE
ORIGIN
Application of Atomic Layer Deposition in Dye-Sensitized Photoelectrosynthesis Cells
期刊论文
OAI收割
TRENDS IN CHEMISTRY, 2021, 卷号: 3, 期号: 1
作者:
Wang, Degao
;
Huang, Qing
;
Shi, Weiqun
;
You, Wei
;
Meyer, Thomas J.
  |  
收藏
  |  
浏览/下载:137/0
  |  
提交时间:2021/12/01
MOLECULAR WATER-OXIDATION
INTERFACIAL ELECTRON-TRANSFER
METAL-OXIDE SURFACES
SOLAR-CELLS
RECOMBINATION DYNAMICS
ARTIFICIAL PHOTOSYNTHESIS
CHARGE-SEPARATION
HIGHLY EFFICIENT
SINGLE-SITE
TANDEM CELL
Selection and mechanical evaluation of gamma/gamma boundary in gamma-TiAl alloy
期刊论文
OAI收割
INTERMETALLICS, 2020, 卷号: 126, 页码: 11
作者:
Zhang, Jinhu
;
Teng, Chunyu
;
Meng, Zhichao
;
Xu, Haisheng
;
Yang, Liang
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/02/02
Titanium alloy
Elastic strain energy
Interfacial energy difference
gamma/gamma boundary
Phase field model
Molecular dynamics method