Abstract
Molecular dynamics (MD) simulations using Morse interaction potential are performed in studies of [110] symmetrical tilt grain boundary (GB) structures with mis-orientation angles 50.5°(Σ11), 129.5°(Σ11), 70.5°(Σ3) and 109.5°(Σ3) at various tempratures. The GB structures are found to start local disordering at about 0.5T m (T m is the melting point of aluminium) for 50.5°(Σ11), 0.32T m for 129.5° (Σ11) and 0.38T m for 70.5°(Σ3), respectively. These results agree with conclusions deduced from the anelastic measurements. But, for twin-boundary structure 109.5°(Σ3), this disordering has not been found even when temperature increases up to 0.9T m .
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The project supported by the National Natural Science Foundation of China and Laboratory for Non-linear Mechanics of Continuous Media, Institute of Mechanics, Academia Sinica.
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Zhiying, C., Yuhua, D. & Tingsui, G. Molecular dynamics studies on the local disordering of Σ3 and Σ11 grain boundaries in aluminium bicrystal. Acta Mech Sinica 11, 259–266 (1995). https://doi.org/10.1007/BF02487729
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DOI: https://doi.org/10.1007/BF02487729