Calculation of Core Structure and Core Energy of a (1/2)<111> Screw Dislocation in BCC Transition Metals: Inclusion of d-Orbital Anisotropy
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概要
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A tisht-bindin: t>'r>e electronic theory' is used to calculate the core structureand core ener:>' of a (172)< III >screw dislocation in bcc transition metals (a-Fe,Nb and W). This calculation takes into account the d-function anisotropy of thetransition metal d-band as well as the short-range repulsive energies. It is shownthat the d-band effect (d-orbital anisotropy) and the next nearest-neighbourinteractions are of great importance f'or the calculation of the core structure andcore energy of the screw dislocation.
- 社団法人日本物理学会の論文
- 1981-02-15
著者
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MASUDA Kin-ichi
Department of Materials Science and Engineering,Tokyo Institute of Technology
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Masuda Kin-ichi
Department Of Materials Science And Engineering Tokyo Institute Of Technology
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SATO Akikazu
Department of Materials Science and Engineering, Tokyo Institute of Technology
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Sato Akikazu
Department Of Materials Science And Engineering The Graduate School Of Science And Engineering Tokyo
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Sato Akikazu
Department of Materials Science and Engineering,Tokyo Institute of Technology
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