日本金属学会誌
Online ISSN : 1880-6880
Print ISSN : 0021-4876
ISSN-L : 0021-4876
原子の局所変位シミュレーションとそのAl-Cu合金のG.P.ゾーンヘの適用
京武 順武末 尚久森永 正彦湯川 夏夫
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1991 年 55 巻 10 号 p. 1031-1038

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A first computer method has been proposed for the simulation of the local atomic displacement in alloys. Employing a Monte Carlo method the simulation has been carried out so that the local displacement parameters determined experimentally from diffuse-scattering measurements fit the simulationed ones. A whole feature of atomic fluctuations can be spacified by combining this method with Gehlen-Cohen method for the chemical short-range order in alloys.
This method has been applied to the structural problem of the G.P.zones in Al-Cu alloys. There are distinctive atomic displacements inside and outside the zone. In particular, it is interesting to note that the modulated displacement-waves spread over a relatively wide region surrouding the G.P.zone.

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