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Calculation and prediction of sliding energy barriers by ffrst-principles combined with machine learning
期刊论文
Ceramics International, 2023, 期号: 49, 页码: 24752–24761
作者:
Yuan Niu
;
Yun Wang
;
Minjuan He
;
Wenhao He
;
Zhenghua Zha
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/01/02
First-principles calculations
Machine learning
Maximum sliding energy barrier
Elemental 2D materials
Friction
Interfacial charge transfer
Robust Interfacial Modifier for Efficient Perovskite Solar Cells: Reconstruction of Energy Alignment at Buried Interface by Self-Diffusion of Dopants
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 页码: 10
作者:
Wang, Lipeng
;
Xia, Jianxing
;
Yan, Zheng
;
Song, Peiquan
;
Zhen, Chao
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  |  
浏览/下载:19/0
  |  
提交时间:2022/09/16
defect passivation
energy level alignment
interfacial modifications
perovskite solar cells
Tuning the interfacial friction force and thermal conductance by altering phonon properties at contact interface
期刊论文
Nanotechnology, 2022, 卷号: 33, 期号: 23
作者:
Dong, Yun
;
Ding, Yusong
;
Rui, Zhiyuan
;
Lian, Fangming
;
Hui, Weibin
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  |  
浏览/下载:30/0
  |  
提交时间:2022/04/21
Atoms
Cutoff frequency
Energy dissipation
Heat transfer
Molecular dynamics
Phonons
Thermal conductivity
Atomic mass
Contact surface
Friction force
Interfacial friction
Interfacial thermal conductance
Phonon mode
Phonon properties
Phonon spectrum
Solid/solid interfaces
Thermal conductance
Effect of surface orientation on reactive wetting of sapphire by Al-Ti alloys at 1273 K
期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2022, 卷号: 285
作者:
Sui, Ran
;
Chang, Jinghuan
;
Lin, Qiaoli
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  |  
浏览/下载:33/0
  |  
提交时间:2022/06/21
Wettability
Anisotropy
Interfacial energy
Surface
Factors affecting eutectic Si modification in Al-Si hypoeutectic alloy with the addition of Na, Sr, Eu and Yb
期刊论文
MATERIALS LETTERS, 2022, 卷号: 308, 页码: 3
作者:
Zhang, Lili
;
Ji, Zong-wei
;
Zhao, Jiuzhou
;
He, Jie
;
Jiang, Hongxiang
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  |  
浏览/下载:59/0
  |  
提交时间:2022/01/27
Modification
Interaction energy parameter
Heat for formation
Interfacial energy
Solidification
Metals and alloys
Insight into the interatomic competitive mechanism for interfacial stability of room temperature liquid GaInSn/Cu electrode
期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2021, 卷号: 270, 页码: 14
作者:
Gao, Zhaoqing
;
Chen, Yinbo
;
Dong, Chong
;
Chen, Fei
;
Huang, Mingliang
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  |  
浏览/下载:59/0
  |  
提交时间:2021/10/15
Liquid GaInSn alloys
Interfacial stability
Interatomic affinity
Competitive reactive mechanism
Gibbs free energy change
Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface
期刊论文
Physics Letters, Section A: General, Atomic and Solid State Physics, 2021, 卷号: 408
作者:
Ahmed, Fawaz Alnoman Mohammed
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Ren, Jun-Qiang
;
Lu, Xue-Feng
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  |  
浏览/下载:17/0
  |  
提交时间:2022/02/17
Binding energy
Calculations
Density functional theory
Fracture
Fracture toughness
Nickel
Nickel alloys
Segregation (metallography)
Single crystals
Binding strength
Co-segregation
Density-functional-theory
First principle calculations
Formation energies
Interfacial fracture
Ni$-3$/Al
Nickel-based single-crystal superalloy
Pseudogaps
Γ-ni/γ'-ni3al phase interface
Decisive Role of Elevated Mobility in X55 and X60 Hole Transport Layers for High-Performance Perovskite Solar Cells
期刊论文
ACS APPLIED ENERGY MATERIALS, 2021, 卷号: 4
作者:
Su, Zhenhuang
;
Hui, Wei
;
Dong, Yanan
;
Wang, Chenyue
;
Hu, Jinping
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2021/11/01
charge transport properties
doping effect
photoemission spectroscopy
band bending effect
interfacial electronic structures
energy level alignment
photovoltaic application
The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 80, 页码: 163-170
作者:
Chen, Qiu-Jie
;
Ma, Shang-Yi
;
Wang, Shao-Qing
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  |  
浏览/下载:58/0
  |  
提交时间:2021/10/15
Titanium alloys
Twin
Interfacial twin boundary phase
Generalized planar fault energy
First-principles
Formation mechanism of alpha lamellae during beta ->alpha transformation in polycrystalline dual-phase Ti alloys
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2021, 卷号: 71, 页码: 98-108
作者:
Sun, Jia
;
Qi, Min
;
Zhang, Jinhu
;
Li, Xuexiong
;
Wang, Hao
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  |  
浏览/下载:18/0
  |  
提交时间:2021/10/15
Lamellae
Side branches
Ti-6Al-4V
Interfacial energy anisotropy
Phase field model
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