首先采用分子动力学模拟方法计算得出不同温度与晶粒尺寸条件下 FeCrAl合金体系的原子扩散系数D与晶体材料的剪切模量G，并拟合得出不同温度下原子扩散系数D和剪切模量G随晶粒尺寸d的变化关系式。然后通过对蠕变变形曲线的稳态蠕变阶段进行线性拟合得到了不同蠕变条件下 FeCrAl合金材料的稳态蠕变速率，根据合金稳态蠕变速率随温度、应力和晶粒尺寸等参数的变化规律，采用非线性曲线拟合得出不同高温蠕变条件下的热蠕变激活能Qc，蠕变应力因子n，蠕变晶粒因子p及蠕变常数A。

Firstly, the atomic diffusion coefficient D of FeCrAl alloy system and shear modulus G of crystal material at different temperature and grain size were calculated by molecular dynamics simulation method, and the relationship between atomic diffusion coefficient D and shear modulus G with grain size d at different temperature was obtained by fitting. Then, the steady-state creep rate of FeCrAl alloy under different creep conditions was obtained by linear fitting of the steady-state creep stage of the creep curve. According to the variation law of steady-state creep rate of the alloy with temperature, stress and grain size, the thermal creep activation energy Qc under different high temperature creep conditions was obtained by nonlinear curve fitting. Creep stress factor n, creep grain factor p and creep constant A.