Molecular dynamics studies on the local disordering of Σ3 and Σ11 grain boundaries in aluminium bicrystal |
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Authors: | Chen Zhiying Duan Yuhua Ge Tingsui |
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Affiliation: | (1) Laboratory for Non-linear Mechanics of Continuous Media, Institute of Mechanics, Academia Sinica, 100080 Beijing, China;(2) Department of Physics, Fudan University, 200433 Shanghai, China;(3) Institute of Solid State Physics, Academia Sinica, 230031 Hefei, China |
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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 . 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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Keywords: | molecular dynamics simulation grain boundary disordering aluminium bicrystal |
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