Research Progress of First Principles Studies on Oxidation Behaviors of Ti-Al Alloys and Alloying Influence

Abstract

Ti-Al alloys have good prospects in the aerospace, automobile, and other fields because of their excellent mechanical properties. However, the lack of high temperature oxidation resistance limits their practical applications. Various ways have been used to study their oxidation behaviors. Besides numerous experimental studies focused on the oxidation resistance properties of Ti-Al alloys, theoretical research based on first principles calculations has been carried out on the oxidation mechanisms on the atomic and electronic scales. In recent years, these theoretical studies have provided strong support for understanding the oxidation mechanisms and designing anti-oxidation modification measures. This review will focus on the surface oxidation reactions, element diffusion behaviors and interface bonding properties. The influencing mechanisms of alloying elements on the oxidation properties will be discussed in detail.

Keywords

• Ti-Al alloys
• oxidation
• alloying elements
• ab-initio calculations