高温蒸气环境中FeCr合金氧化机理的分子模拟研究

绳淦文, 祁晶, 卢平, 徐洪, 洪苗敏

Molecular Simulation on Oxidation Mechanism of FeCr Alloy in High Temperature Steam Environment

SHENG Ganwen, QI Jing, LU Ping, XU Hong, HONG Miaomin

图4 合金表面蒸气吸附和分解

Fig.4 Steam chemisorption and decomposition on the alloy surface: (a) 1 ps, (b) 12 ps, (c) 14.3 ps, (d) 15 ps (The white, red, gray and yellow atoms are H, O, Fe and Cr, respectively)