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浏览/检索结果:
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First-principles study of adsorption and migration of alkali and alkaline earth metals (Rb, Cs, and Ba) on graphene
期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 610
作者:
Zhao, Ming
;
Li, Xiaochen
;
Fang, Shuoyang
;
Jiang, Zhizhong
;
Yu, Jie
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2022/12/23
Metals adsorption
Migration barrier
Work function
Defective graphene
B
O doping
An emb e dde d-atom method potential for studying the properties of Fe-Pb solid-liquid interface
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Lei, Yawei
;
Zhang, Jingdan
;
Zhang, Yange
;
Li, Xiangyan
;
Xu, Yichun
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  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Fe-Pb system
Force -matching method
EAM potential
Corrosion
Liquid properties
Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2022
作者:
Yang, Yuming
;
Zhang, Xuemei
;
Liu, Jun
;
Zhang, Chuanguo
;
Li, Yonggang
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  |  
浏览/下载:13/0
  |  
提交时间:2022/12/23
GaN
AlN interface
strain effects
intrinsic point defects
first-principles calculations
diffusion barrier
Disentangling diffusion heterogeneity in high-entropy alloys
期刊论文
ACTA MATERIALIA, 2022, 卷号: 224, 页码: 9
作者:
Wang, Yi-Zhou
;
Wang, Yun-Jiang
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  |  
浏览/下载:12/0
  |  
提交时间:2022/06/11
Diffusion
Dynamic heterogeneity
High-entropy alloy
Molecular dynamics
Prediction of vacancy formation energies at tungsten grain boundaries from local structure via machine learning method
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 559
作者:
Wang, Yuxuan
;
Li, Xiaolin
;
Li, Xiangyan
;
Zhang, Yuxiang
;
Zhang, Yange
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  |  
浏览/下载:16/0
  |  
提交时间:2022/12/23
Vacancy formation energy
Machine learning
Tungsten
Symmetry tilt grain boundary
Support vector machine
Cross validation
Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study
期刊论文
NANOMATERIALS, 2021, 卷号: 11, 期号: 3, 页码: 15
作者:
Zhang, Xin
;
Wang, Shaoqing
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  |  
浏览/下载:14/0
  |  
提交时间:2021/10/15
Stone–
Wales defect
single vacancy
double vacancy
interfacial bonding strength
mechanical properties
graphene
Al composites
Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study
期刊论文
NANOMATERIALS, 2021, 卷号: 11, 期号: 3, 页码: 15
作者:
Zhang, Xin
;
Wang, Shaoqing
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  |  
浏览/下载:12/0
  |  
提交时间:2021/10/15
Stone–
Wales defect
single vacancy
double vacancy
interfacial bonding strength
mechanical properties
graphene
Al composites
Influence of irradiation-induced point defects on the dissolution and diffusion properties of hydrogen in alpha-Al2O3: a first-principles study
期刊论文
NUCLEAR FUSION, 2021, 卷号: 61
作者:
Pan, Xin-Dong
;
Xu, Yu-Ping
;
Lu, Tao
;
Zhou, Hai-Shan
;
Li, Xiao-Chun
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  |  
浏览/下载:133/0
  |  
提交时间:2021/03/15
defects
irradiation
first-principles
alpha-Al2O3
tritium permeation barrier
Effect of H on the formation of vacancy dislocation loops in alpha-Fe
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 542
作者:
Pan, Xin-Dong
;
Lu, Tao
;
Lyu, Yi-Ming
;
Xu, Yu-Ping
;
Zhou, Hai-Shan
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  |  
浏览/下载:76/0
  |  
提交时间:2020/12/28
Hydrogen
alpha-Fe
Vacancy cluster
Dislocation loop
Molecular dynamics
Combined experimental and first-principles studies of structural and physical properties of beta-Ti3SiC2
期刊论文
JOURNAL OF APPLIED PHYSICS, 2020, 卷号: 128, 期号: 22, 页码: 10
作者:
Zhang, Linqi
;
Sun, Jianrong
;
Gao, Xing
;
Deng, Tianyu
;
Cheng, Zhaoyi
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  |  
浏览/下载:14/0
  |  
提交时间:2021/12/13
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