A Molecular Dynamics Study of the Energy and Structure of the Symmetric Tilt Boundary of Iron
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概要
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The temperature dependences of the energy and structure of the symmetric tilt boundary of bcc and fcc iron were investigated by molecular dynamics simulation. A large energy cusp was observed at the bcc(112)‹110›Σ3 and fcc(111)‹110›Σ3 grain boundary plane, which is a twin boundary, whereas it was not observed at the bcc(111)‹110›Σ3 plane in spite of it having the lowest Σ-value. The grain boundary energy increased at the temperature close to the melting point except for the grain boundary planes that have a large energy cusp. On the other hand, it was newly founded that the grain boundary energies at the bcc(112)‹110›Σ3 and fcc(111)‹110›Σ3 did not increased despite such a high temperature. The increase in grain boundary energy was due to the premelting, which is a localized disorder of the atoms near the grain boundary energy. It was confirmed that the grain boundary energy is affected by the matching at the interface rather than the periodicity described by the Σ-value.
- 社団法人 日本鉄鋼協会の論文
- 2008-11-15
著者
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SUZUKI Toshio
Department of Animal Science, Faculty of Agriculture, Utsunomiya University
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Shibuta Yasushi
Department of Materials Engineering, The University of Tokyo
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Shibuta Yasushi
Univ. Tokyo Tokyo Jpn
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Shibuta Yasushi
Department Of Materials Engineering The University Of Tokyo
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TAKAMOTO Shinya
Department of Materials Engineering, The University of Tokyo
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Suzuki Toshio
Department Of Materials Engineering The University Of Tokyo
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Suzuki Toshio
Department Of Agronomy Faculty Of Agriculture Tohoku University
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Takamoto Shinya
Department Of Materials Engineering The University Of Tokyo
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