ZA27/CNT界面特性电子理论研究

依据原子结合能定义了界面结合能. 采用递归法计算了纳米管增强锌铝基复合材料中ZA27/CNT界面电子结构，揭示了纳米管在ZA27合金晶界分布的微观物理本质，及其ZA27/CNT弱界面结合的电子层面的原因. 研究发现：金属基体对纳米管增强相上的碳原子态密度影响很大，而纳米管对基体金属中的铝、锌原子影响很小. 碳原子态密度与基体金属原子趋于同化，使纳米管与基体金属结合，但因同化程度不高导致界面结合较弱，影响强化效果. 如果在纳米管装饰或镀上与基体金属性质相近的原子层，会极大改善复合材料的界面结合强度，提高复合材料性能. 关键词： 复合材料 纳米管 电子结构 界面

Electronic theory of interface characteristics of ZA27/CNT

The interface binding energy has been defined according to the atomic binding energy. The interface electronic structures of ZA27/CNT have been calculated by recursive method in zinc-aluminum composite reinforced by carbon nanotube. The microphysics of carbon nanotube distribution at grain boundaries of ZA27 alloy and the cause of weak interface binding in ZA27/CNT at electronic level were made clear. The research showed that the metal matrix has great effect on the density of states of carbon atoms on the nanotube, but the nanotube has little effect on the density of states of aluminum or zinc atoms in the matrix. The density of states of carbon on nanotube tends to become assimilated with matrix atoms and combine with the matrix, but as the assimilation degree is low, the interface binding strength is very weak. It is believed that similar property of atoms with matrix decorating or plated on carbon nanotube may help to reinforce the interface binding strength and improve the performance of ZA27 composite.