COMPUTER SIMULATIONS OF THE STRUCTURE AND THE VIBRATIONAL PROPERTIES OF AMORPHOUS IRON
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概要
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Local atomic arrangements in the realistic models of amorphous and liquid iron were investigated in terms of Volonoi poly-hedra. The frequency of five-edged faces is predominant among others, which is the direct consequence of the existence of 13-atom icosahedral arrangements. All the Bernal holes were found also in the present model, but their shapes are considerably deformed from the idealised ones. The vibrational density of states (DOS) of amorphous iron was computed by the recursion method, in which both the quantitative and topological disorders were taken into account simultaneously. The spectrum has two peaks, an enhanced broad one at a low frequency region and a fairly reduced one at the high frequency side. The frequency spectrum of liquid iron was also calculated for comparison.
- 東北大学の論文
著者
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Yamamoto Ryoichi
Department Of Chemical Engineering Kyoto University:crest Japan Sience And Technology Agency
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NAKAMURA Mitsuhiro
Department of Applied Physics and Chemistry, The University of Electro-Communications
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Yamamoto Ryoichi
Department Of Biology Faculty Of Science Osaka City University
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Yamamoto Ryoichi
Department Of Metallurgy And Materials Science Faculty Of Engineering The University Of Tokyo
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DOYAMA Masao
Department of Materials Science and Metallurgy,Faculty of Engineering,The University of Tokyo
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Doyama Masao
Department Of Iron And Steel Engineering Faculty Of Engineering Nagoya University
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Nakamura Mitsuhiro
Department Of Metallurgy And Materials Science Faculty Of Engineering The University Of Tokyo
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Nakamura Mitsuhiro
Department Of Applied Physics And Chemistry The University Of Electro-communications
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Yamamoto Ryoichi
Department of Metallurgy and Materials Science, Faculty of Engineering, The University of Tokyo
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