Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum
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 dislocatio...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2017-01-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4975042 |
| _version_ | 1811262572334153728 |
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| author | Qing Yin Zhiqiang Wang Rajiv Mishra Zhenhai Xia |
| author_facet | Qing Yin Zhiqiang Wang Rajiv Mishra Zhenhai Xia |
| author_sort | Qing Yin |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-12T19:27:57Z |
| format | Article |
| id | doaj.art-e7dd039eb9c743ecbb3fd30f1ce6fbc6 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-04-12T19:27:57Z |
| publishDate | 2017-01-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-e7dd039eb9c743ecbb3fd30f1ce6fbc62022-12-22T03:19:26ZengAIP Publishing LLCAIP Advances2158-32262017-01-0171015040015040-810.1063/1.4975042063701ADVAtomic simulations of twist grain boundary structures and deformation behaviors in aluminumQing Yin0Zhiqiang Wang1Rajiv Mishra2Zhenhai Xia3Department of Materials Science and Engineering, University of North Texas, Denton, Texas 76203, USADepartment of Materials Science and Engineering, University of North Texas, Denton, Texas 76203, USADepartment of Materials Science and Engineering, University of North Texas, Denton, Texas 76203, USADepartment of Materials Science and Engineering, University of North Texas, Denton, Texas 76203, USAThe 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.http://dx.doi.org/10.1063/1.4975042 |
| spellingShingle | Qing Yin Zhiqiang Wang Rajiv Mishra Zhenhai Xia Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum AIP Advances |
| title | Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum |
| title_full | Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum |
| title_fullStr | Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum |
| title_full_unstemmed | Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum |
| title_short | Atomic simulations of twist grain boundary structures and deformation behaviors in aluminum |
| title_sort | atomic simulations of twist grain boundary structures and deformation behaviors in aluminum |
| url | http://dx.doi.org/10.1063/1.4975042 |
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