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期刊论文 [161]
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Influence of lattice distortion on stacking fault energies of CoCrFeNi and Al-CoCrFeNi high entropy alloys
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 10
作者:
Qiu, Shi
;
Zhang, Xue-Chun
;
Zhou, Jian
;
Cao, Shuo
;
Yu, Hui
收藏
  |  
浏览/下载:127/0
  |  
提交时间:2021/02/02
High entropy alloys
Stacking fault energy
Lattice distortion
Density functional theory
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:26/0
  |  
提交时间:2021/02/02
Cu precipitate
Aging experiment
Mixing energy
Interatomic potential
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
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
Tests on the Accuracy and Scalability of the Full-Potential DFT Method Based on Multiple Scattering Theory
期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 590047
作者:
Cao PY(曹沛宇)
;
Fang J
;
Gao XY
;
Tian FY
;
Song HF
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  |  
浏览/下载:22/0
  |  
提交时间:2021/02/09
first principles
Korringa-Kohn-Rostoker (KKR)
multiple scattering theory (MST)
full potential
elastic constants
Edge passivation control of graphene nanoribbons for robust pure spin current generation with photogalvanic effect
期刊论文
CARBON, 2020, 卷号: 170
作者:
Zhou, Yanhong
;
Yu, Shaohui
;
Zheng, Xiaohong
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浏览/下载:42/0
  |  
提交时间:2020/11/30
Pure spin current
Photogalvanic effect
Graphene nanoribbons
Spatial inversion symmetry
Computational prediction of a two-dimensional semiconductor SnO2 with negative Poisson's ratio and tunable magnetism by doping
期刊论文
PHYSICAL REVIEW B, 2020, 卷号: 102
作者:
Jiang, Peng
;
Kang, Lili
;
Zheng, Xiaohong
;
Zeng, Zhi
;
Sanvito, Stefano
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  |  
浏览/下载:18/0
  |  
提交时间:2020/12/28
Mg-doping enhanced superconductivity and ferromagnetism in Ti1-xMgxO films
期刊论文
ACTA MATERIALIA, 2020, 卷号: 200
作者:
Fan, Y. J.
;
Gan, H.
;
Wang, D.
;
Sun, H. Y.
;
Ma, C.
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  |  
浏览/下载:33/0
  |  
提交时间:2020/12/28
Ti1-xMgxO films
Doping
Disorder
Superconductivity
Ferromagnetism
First-principles calculations
Oxygen vacancy enhanced ferroelectricity in BTO:SRO nanocomposite films
期刊论文
ACTA MATERIALIA, 2020, 卷号: 199, 页码: 9-18
作者:
Lin, Jun Liang
;
He, Ri
;
Lu, Zengxing
;
Lu, Yi
;
Wang, Zhiming
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  |  
浏览/下载:38/0
  |  
提交时间:2021/02/02
Nanocomposite
Ferroelectricity
Laser deposition
Oxygen vacancy
First-principles calculations
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