Atomic Simulations of Twist Grain Boundary Structures and Deofrmation Behaviors in Aluminum

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This article investigates twist grain boundaries with molecular dynamic simulations to reveal their atomic structures, energy and interactions with dislocations.

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8 p.

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Yin, Qing; Wang, Zhiqiang; Mishra, Rajiv & Xia, Zhenhai January 30, 2017.

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This article is part of the collection entitled: UNT Scholarly Works and was provided by the UNT College of Engineering to the UNT Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 115 times. More information about this article can be viewed below.

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This article investigates twist grain boundaries with molecular dynamic simulations to reveal their atomic structures, energy and interactions with dislocations.

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8 p.

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Abstract: The structures and behaviors of grain boundaries (GBs) have profound effects on the mechanical properties of polycrystalline materials. In this paper, twist GBs in aluminum were investigated with molecular dynamic simulations to reveal their atomic structures, energy and interactions with dislocations. One hundred twenty six twist GBs were studied, and the energy of all these twist GBs were calculated. The result indicates that <001> and <111> twist GBs have lower energy than <101> twist GBs because of their higher interplanar spacing. In addition, 12 types of <001> twist GBs in aluminum were chosen to explore the deformation behaviors. Low angle twist GBs with high density of network structures can resist greater tension because mutually hindering behaviors between partial dislocations increase the twist GB strength.

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  • AIP Advances, 7(1), American Institute of Physics, January 30, 2017, pp. 1-8

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  • Publication Title: AIP Advances
  • Volume: 7
  • Pages: 8
  • Peer Reviewed: Yes

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  • January 30, 2017

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  • Aug. 29, 2017, 9:38 a.m.

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  • Nov. 14, 2023, 10:41 a.m.

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Yin, Qing; Wang, Zhiqiang; Mishra, Rajiv & Xia, Zhenhai. Atomic Simulations of Twist Grain Boundary Structures and Deofrmation Behaviors in Aluminum, article, January 30, 2017; Melville, New York. (https://digital.library.unt.edu/ark:/67531/metadc991021/: accessed April 27, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT College of Engineering.

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