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Orientation dependence of structural transition in fcc Al driven under uniaxial compression by atomistic simulations |
| Li Li(李莉)a), Shao Jian-Li(邵建立)b), Duan Su-Qing(段素青)b)†, and Liang Jiu-Qing(梁九卿)a) |
| a Institute of Theoretical Physics and Department of Physics, Shanxi University, Taiyuan 030006, China; b Institute of Applied Physics and Computational Mathematics, Beijing 100088, China |
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Abstract By molecular dynamics simulations employing an embedded atom method potential, we have investigated structural transformations in single crystal Al caused by uniaxial strain loading along the [001], [011] and [111] directions. We find that the structural transition is strongly dependent on the crystal orientations. The entire structure phase transition only occurs when loading along the [001] direction, and the increased amplitude of temperature for [001] loading is evidently lower than that for other orientations. The morphology evolutions of the structural transition for [011] and [111] loadings are analysed in detail. The results indicate that only 20% of atoms transit to the hcp phase for [011] and [111] loadings, and the appearance of the hcp phase is due to the partial dislocation moving forward on {111}fcc family. For [011] loading, the hcp phase grows to form laminar morphology in four planes, which belong to the {111}fcc family; while for [111] loading, the hcp phase grows into a laminar structure in three planes, which belong to the {111}fcc family except for the (111) plane. In addition, the phase transition is evaluated by using the radial distribution functions.
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Received: 21 July 2010
Revised: 15 November 2010
Accepted manuscript online:
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PACS:
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64.70.kd
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(Metals and alloys)
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71.15.Pd
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(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
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61.50.Ks
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(Crystallographic aspects of phase transformations; pressure effects)
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64.70.K-
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| Fund: Project supported by the Science Foundation for Development of Science and Technology of China Academy of Engineering Physics (Grant Nos. 2008B0101008 and 2009A0101004). |
Cite this article:
Li Li(李莉), Shao Jian-Li(邵建立), Duan Su-Qing(段素青), and Liang Jiu-Qing(梁九卿) Orientation dependence of structural transition in fcc Al driven under uniaxial compression by atomistic simulations 2011 Chin. Phys. B 20 046402
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