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期刊论文 [70]
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Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12
作者:
Wang, Haiyan
;
Gao, Xueyun
;
Chen, Shuming
;
Li, Yiming
;
Wu, Zhongwang
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/02/02
Cu precipitate
Aging experiment
Mixing energy
Interatomic potential
Molecular dynamics
Effects of Al on the precipitation of B2 Cu-rich particles in Fe-Cu ferritic alloy: Experimental and theoretical study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 12
作者:
Wang, Haiyan
;
Gao, Xueyun
;
Chen, Shuming
;
Li, Yiming
;
Wu, Zhongwang
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/02/02
Cu precipitate
Aging experiment
Mixing energy
Interatomic potential
Molecular dynamics
First-principles investigation on the bonding mechanisms of two-dimensional carbon materials on the transition metals surfaces
期刊论文
RSC ADVANCES, 2020, 卷号: 10, 期号: 71, 页码: 43412-43419
作者:
Zhang, Xin
;
Sun, Shenghui
;
Wang, Shaoqing
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  |  
浏览/下载:9/0
  |  
提交时间:2021/03/15
Intrinsic molecular vibration and rigorous vibrational assignment of benzene by first-principles molecular dynamics
期刊论文
SCIENTIFIC REPORTS, 2020, 卷号: 10, 期号: 1, 页码: 14
作者:
Wang, Shaoqing
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  |  
浏览/下载:106/0
  |  
提交时间:2021/02/02
First-principles study of hydrogen trapping behavior in face centered cubic metals (M=Ni, Cu and Al) with monovacancy
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 46, 页码: 25555-25566
作者:
Xing, Weiwei
;
Chen, Xing-Qiu
;
Li, Xiaobing
;
Ma, Yingche
;
Chen, Bo
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浏览/下载:124/0
  |  
提交时间:2021/02/02
Hydrogen-vacancy interaction
fcc metals
Hydrogen clusters
Hydrogen molecule
Charge transfer
Influence of edge passivation on the transport properties of the zigzag phosphorene nanoribbons
期刊论文
PHYSICS LETTERS A, 2020, 卷号: 384, 期号: 25, 页码: 5
作者:
Shi, H. L.
;
Song, M. R.
;
Jiang, Z. T.
;
Ren, Y. H.
;
Han, Q. Z.
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浏览/下载:2/0
  |  
提交时间:2020/09/22
Phosphorene
Current-voltage characteristics
Edge passivation
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
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  |  
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
Materials selection for nuclear applications in view of divacancy energies by comprehensive first-principles calculations
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 538
作者:
Zhang, Pengbo
;
Li, Yonggang
;
Zhao, Jijun
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  |  
浏览/下载:11/0
  |  
提交时间:2020/10/26
Metals
Di-vacancy formation energy
Vacancy binding energy
Irradiation performance
First-principles calculations
Theoretical study impurities intermediate band material based on Sn heavily doped ZnO by first principles
期刊论文
Superlattices and Microstructures, 2020, 卷号: 145
作者:
Yin, Jianbo
;
Lu, Xuefeng
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  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Band structure
Electronic structure
II-VI semiconductors
Optical properties
Oxide minerals
Tin
Zinc oxide
Electrical conductivity
Electronic structure and optical properties
First principles
Heavily doped
Intermediate band materials
Intermediate bands
Sn doping
Theoretical study
First-principles study of the vacancy and layer defects in Ti3SiC2
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2020, 卷号: 34, 期号: 20, 页码: 10
作者:
Zhang, Jian-Rong
;
Liu, Wei-Ming
;
Ma, Li-Dong
;
Yang, Qion
;
Chen, Yan-Wei
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  |  
浏览/下载:3/0
  |  
提交时间:2021/12/15
MAX phase
first principles
PWSCF
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