COMPUTER SIMULATION STUDIES OF HIGH TEMPERATURE OXIDATION OF METALS
金属高温氧化的计算模拟研究

High temperature oxidation of metals involves multiscale physics and processes.The present paper briefly introduces current simulation methods in electronic,atomistic and micrometer scales respectively,and reviews the computer simulation studies in the last 20 years on major topics of oxidation of metals,in each space scale.They include initial oxidation and initial film structures,mechanisms of reactive element effects,diffusion and oxide growth kinetics and development/release of internal stress in oxide scales.Studies carried out by the author's group are also reported.