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作者:

Wang Ru-Zhi (Wang Ru-Zhi.) (学者:王如志) | Xu Li-Chun (Xu Li-Chun.) | Yan Hui (Yan Hui.) | Masanori, Kohyama (Masanori, Kohyama.)

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摘要:

By the first-principles calculations based on the density functional theory, the tensile strength of Al metal with dislocations of twist grain boundaries (GBs) is predicted from its electronic structure to its essential mechanical properties. The results show that the theoretical tensile strength for Al twist GB is about 8.73GPa and it is less than that for Al glide GB(9.5GPa) (Phys. Rev. B 75, 174101 (2007)). However, its fracture strain for Al twist GB is 24% and 16% more than that for Al glide GB. It suggests that the mechanical properties of the metal can be greatly improved by experimentally modulating its defect or dislocation. Furthermore, the physics of the fracture of Al twist GB is analyzed by the distributions of charge density and the changes of bond length, and it is found that the facture appears in the GB. Our theoretical predictions can play an important role in guiding the improvement of mechanical properties and structural designs for Al metal.

关键词:

Al first-principles calculations grain boundary dislocation tensile strength

作者机构:

  • [ 1 ] [Wang Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Lab Thin Film Mat, Beijing 100022, Peoples R China
  • [ 2 ] [Xu Li-Chun]Beijing Univ Technol, Coll Mat Sci & Engn, Lab Thin Film Mat, Beijing 100022, Peoples R China
  • [ 3 ] [Yan Hui]Beijing Univ Technol, Coll Mat Sci & Engn, Lab Thin Film Mat, Beijing 100022, Peoples R China
  • [ 4 ] [Masanori, Kohyama]Natl Inst Adv Ind Sci & Technol, Res Inst Ubiquitous Energy Devices, Ikeda, Osaka 5638577, Japan

通讯作者信息:

  • 王如志

    [Wang Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Lab Thin Film Mat, Beijing 100022, Peoples R China

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来源 :

ACTA PHYSICA SINICA

ISSN: 1000-3290

年份: 2012

期: 2

卷: 61

1 . 0 0 0

JCR@2022

ESI学科: PHYSICS;

ESI高被引阀值:178

JCR分区:3

中科院分区:4

被引次数:

WoS核心集被引频次: 3

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