钽合金表面渗碳层中碳化物析出及其性能的第一性原理研究

孟祥龙, 刘瑞良, Li D. Y.

First Principles Study on the Precipitation and Properties of Carbides in the Surface Carburized Layer of Tantalum Alloys

MENG Xianglong, LIU Ruiliang, Li D. Y.

图1 不同结构复合碳化钽的特殊准随机结构(SQS)超胞模型

Fig.1 Super structural models of the special quasi-random structure (SQS) of complex tantalum carbides (a) fcc (b) hcp