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
First Principles Study on the Precipitation and Properties of Carbides in the Surface Carburized Layer of Tantalum Alloys
(a) Ta0.5Mo0.5C (fcc) (b) Ta0.5Mo0.5C (hcp) (c) Ta0.5W0.5C (fcc) (d) Ta0.5W0.5C (hcp)
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. |
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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6 不同结构复合碳化钽的总态密度和投影态密度 |
| Fig.6 Total and projected density of states (DOS) of the same component in multi-component carbides in different crystal structures (The dashed lines indicate the Fermi energy levels; TDOS—total density of states) (a) Ta0.5Mo0.5C (fcc) (b) Ta0.5Mo0.5C (hcp) (c) Ta0.5W0.5C (fcc) (d) Ta0.5W0.5C (hcp) |
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