Interface electron structure of Fe 3Al/TiC composites

Abstract

Based on YU's solids and molecules emperical electron theory(EET), interface valence electron structure of TiC-Fe 3Al composites was set up, and the valence electron density of different atomic states TiC and Fe 3Al composites in various planes was determined. The results indicate that the electron density of (100) Fe 3Al is consistent with that of (110) TiC in the first-class approximation, the absolute value of minimum electron density difference along the interface is 0.007 37 nm −2, and the relative value is 0.759%. (110) TiC//(100) Fe 3Al preferred orientation is believed to benefit the formation of the cuboidal shape TiC. In the other hand, it shows that the particle growth is accompanied by the transport of electron, the deviation continuity of electron density intrinsically hinders the grain growth. The electron density of (100) TiC is not consistent with Fe 3Al arbitrary crystallographic plane, thus it well explains that the increased titanium and carbon contents do not increase the size of large particles. The crystallographic orientation of (110) TiC//(100) Fe 3Al will improve the mechanical properties. Therefore interface electron theory is an effective theoretical implement for designing excellent property of composites.