Molecular Dynamics Simulation of Martensitic Transformations in NiAl Alloy Using the Modified Embedded Atom Method (Condensed Matter: Structure, Mechanical and Thermal Properties)
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概要
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The martensitic transformations in NiAl alloys were studied using molecular dynamics simulations. The modified embedded atom method was used with the pseudo monoatomic potentials which included angular dependence of each atoms. The thermally induced B2 → 3R martensitic and 3R → B2 reverse martensitic transformations have been obtained in the present molecular dynamics simulations for the first time with a bulk (no surface) computational model. The transformation is accompanied by a twin in the 3R phase which leads to a lattice-invariant deformation and minimize the transformation strain energy. The concentration dependence of the transformation temperature for Ni_xAl_<1-x> (0.58 < x < 0.69) alloys have been observed.
- 社団法人日本物理学会の論文
- 2003-10-15
著者
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石田 博章
住友金属工業(株) 総合技術研究所
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HIWATARI Yasuaki
Department of Computational Science,Kanazawa University
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Ishida H
Tohoku Univ. Sendai
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Ishida Hiroaki
Sumitomo Metal Industries Ltd.
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ISHIDA Hiroaki
Department of Mechanical Engineering, Ishikawa National College of Technology
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MOTOYAMA Satoshi
Science Division, The Japan Research Institute, Limited
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MAE Kazuki
School of Knowledge Science, Japan Advanced Institute of Science and Technology
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Motoyama Satoshi
Science Division The Japan Research Institute Limited
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Hiwatari Yasuaki
Department Of Computational Science Kanazawa University
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Mae K
School Of Knowledge Science Japan Advanced Institute Of Science And Technology:(present Address)depa
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Mae Kazuki
School Of Knowledge Science Japan Advanced Institute Of Science And Technology
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Hiwatari Yasuaki
Department Of Computational Science Faculty Of Science Kanazawa University
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Ishida Hiroaki
Department of Chemistry, Faculty of Science and Technology, Sophia University
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