Effect of Ti addition on interfacial properties of Al (111)/B4C (0001): A combined experimental and theoretical methods

Abstract

In this study the mechanism of the effect of Ti addition on the interfacial bonding strength and electronic structure of the Al (111)/B4C (0001) interface are investigated based on first-principles calculations and experimental analyses. The calculations results show that the C-terminated B4C (0001) surface is more stable than the B-terminated surface, and the adhesive strength of the C-terminated Al (111)/B4C (0001) interface is improved with the addition of Ti. The charge amount is increased with the addition of Ti atoms, and a stronger Ti–C polar covalent bond is formed; thus, the bonding strength and stability of the interface are improved. The experimental results reveal that with the addition of Ti, the interfacial bonding between the B4C particles and the Al matrix is improved, and the hardness, tensile strength, and elongation of the composites are significantly improved. The calculation results are not only in good agreement with the experimental results but also provide an important theoretical basis for improving the stability of the Al/B4C system through Ti element addition.