Xiaobo LI
,
Youqing XIE
金属学报(英文版)
doi:10.1016/S1006-7191(08)60099-X
The valence bond structure of substitutional BCC based Ta-W alloys is studied using characteristic crystal (CC) theory. This theory is based on cluster statistics of random alloys. By studying the correlativity between energy and volume of the CC in Ta-W alloys, the valence bond structure of CC is determined by the energy and shape method. Then, following additive law of CC, the valence bond structure of Ta-W alloys is calculated. It is found that the outer shell valence electronic distribution of Ta-W alloys shows a continuous change in the whole composition range. The covalent electrons ec(dc, sc, and pc) increase, whereas near free electrons ef decrease with increasing W concentration. The bond length and single-bond radius decrease, whereas bond energy and bond valence increase with increasing W concentration. The mechanism of solid solution strengthening of Ta-W alloys is analyzed based on their valence bond structure.
关键词:
Valence bond structure
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