발간논문

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Vol.36, No.8, 1228 ~ 1234, 1998
Title
Electronic States Calculation of Cobalt and its Application by Using the DV-XαCluster Method
배동수 , 김영환 , 정호신 Dong Su Bae , Yeong Hwan Kim , Ho Shin Jeong
Abstract
The present study was made to obtain useful information for design of cobalt-based alloys with good high temperature strength properties by using the DV-X_α cluster method. The tendency of the local spin moment curve obtained from the present calculation was shown good agreement with the Slater-Pauling curve. The changes in the bond orders with alloying elements could be understood from the electron density difference maps. Using two calculated alloying parameters, the bond order(Bo) and the d-orbital energy level(Md) of transition alloying elements, the binary phase diagrams of the Co-M system could be classified according to the location in the Bo-Md map. These results will give some guide to design of cobalt-based alloys for high temperature applications.
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