Journal of the Japan Institute of Metals and Materials
Online ISSN : 1880-6880
Print ISSN : 0021-4876
ISSN-L : 0021-4876
Spin Configuration in Fe Based Alloy with FCC Structure by DV-Xα Cluster Method
Yuji Nagae
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2004 Volume 68 Issue 8 Pages 591-595

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Abstract
It has been found that the magnetic property changes in austenitic stainless steel subjected to creep. The change of magnetic property is mainly caused by the transform into martensite. In order to investigate the magnetism of Fe-Cr-Ni ternary alloy with face-centered cubic besides the martensite, the spin configuration is evaluated by DV-Xα cluster method. The spin configurations of γFe, γFe-Cr, γFe-Ni and γFe with vacancy are calculated. The effect of lattice constant on spin configuration is also evaluated. The γFe with normal lattice constant has an antiferromagnetism. But the γFe with lattice constant of around 0.37 nm has a ferromagnetic property. The γFe with a vacancy has a ferromagnetic property even in the normal lattice constant of γFe. The magnetic property between Fe atom and Ni atom is always ferromagnetism in the range of calculated lattice constant. On the other hand, the magnetic property between Fe atom and Cr atom is always antiferromagnetism in the range of calculated lattice constant. It is possible to transform into ferromagnetism in the case of existence of many vacancies or of increase in lattice constant for face-centered cubic structure.
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© 2004 The Japan Institute of Metals and Materials
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