| Title |
Electronic States Calculation of Cobalt and its Application by Using the DV-XαCluster Method |
| Authors |
배동수(Dong Su Bae) ; 김영환(Yeong Hwan Kim) ; 정호신(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. |