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作者:

Wang, Ru-Zhi (Wang, Ru-Zhi.) (学者:王如志) | Kohyama, Masanori (Kohyama, Masanori.) | Tanaka, Shingo (Tanaka, Shingo.) | Tamura, Tomoyuki (Tamura, Tomoyuki.) | Ishibashi, Shoji (Ishibashi, Shoji.)

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EI Scopus SCIE

摘要:

The stability and interfacial bonding of coincidence tilt and twist grain boundaries (GBs) in Al and Cu have been examined by using the projector-augmented wave method within the density-functional theory. For the {221} Sigma=9 tilt GB, glide models are more stable than mirror models for Al and Cu, and the {001} Sigma=5 twist GBs are more stable than the Sigma=9 tilt GBs for Al and Cu, due to smaller structural distortions. There is a tendency that the boundary energies in Al are substantially smaller than those in Cu. This can be explained by the electronic and atomic behavior of bond reconstruction at the interfaces in Al, due to the covalent nature of Al as observed in the charge density distribution, in contrast to rather simple metallic bonding at Cu GBs. The nature of GBs is discussed with respect to the micro-structural evolution and mechanical properties of metallic micro-crystalline formed by severe plastic deformation.

关键词:

aluminum coincidence boundary copper first-principles calculation interfacial bonding severe plastic deformation

作者机构:

  • [ 1 ] [Wang, Ru-Zhi]Natl Inst Adv Ind Sci & Technol, Res Inst Ubiquitous Energy Devices, Ikeda, Osaka 5638577, Japan
  • [ 2 ] [Kohyama, Masanori]Natl Inst Adv Ind Sci & Technol, Res Inst Ubiquitous Energy Devices, Ikeda, Osaka 5638577, Japan
  • [ 3 ] [Tanaka, Shingo]Natl Inst Adv Ind Sci & Technol, Res Inst Ubiquitous Energy Devices, Ikeda, Osaka 5638577, Japan
  • [ 4 ] [Tamura, Tomoyuki]Natl Inst Adv Ind Sci & Technol, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
  • [ 5 ] [Ishibashi, Shoji]Natl Inst Adv Ind Sci & Technol, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
  • [ 6 ] [Wang, Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

通讯作者信息:

  • 王如志

    [Wang, Ru-Zhi]Natl Inst Adv Ind Sci & Technol, Res Inst Ubiquitous Energy Devices, Ikeda, Osaka 5638577, Japan

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来源 :

JOURNAL OF THE JAPAN INSTITUTE OF METALS

ISSN: 0021-4876

年份: 2009

期: 8

卷: 73

页码: 559-565

0 . 5 0 0

JCR@2022

ESI学科: MATERIALS SCIENCE;

JCR分区:3

中科院分区:1

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