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作者:

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

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摘要:

In order to clarify the basic mechanical behavior of grain boundaries (GBs) in Al under tensile stresses, the first-principles tensile tests of coincidence tilt and twist GBs in Al have been performed by using the projector augmented wave (PAW) method based on the density-functional theory (DFT) within the generalized gradient approximation (GGA). For the {221} Sigma = 9 tilt and {001} Sigma = 5 twist GBs in Al, we have obtained ideal strength and stress strain curves, and analyzed bond-breaking behavior. Results for the Sigma = 9 tilt GB are consistent with previous results using the local density approximation (LDA). The Sigma = 5 twist GB reveals complex behavior of deformation and failure, different from tilt GBs. In both the interfaces, reconstructed interfacial bonds reveal high strength, inducing large deformation in the GB regions before the failure, due to the covalent bonding nature of Al. [doi:10.2320/matertrans.MD201130]

关键词:

aluminum first-principles calculation tensile test tilt boundary twist boundary

作者机构:

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

通讯作者信息:

  • [Kohyama, Masanori]Natl Inst Adv Ind Sci & Technol, Res Inst Ubiquitous Energy Devices, Ikeda, Osaka 5638577, Japan

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来源 :

MATERIALS TRANSACTIONS

ISSN: 1345-9678

年份: 2012

期: 1

卷: 53

页码: 140-146

1 . 2 0 0

JCR@2022

ESI学科: MATERIALS SCIENCE;

ESI高被引阀值:294

JCR分区:2

中科院分区:3

被引次数:

WoS核心集被引频次: 12

SCOPUS被引频次: 12

ESI高被引论文在榜: 0 展开所有

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