FeCrAl alloys have been suggested as one of the most promising fuel cladding materials for the development of accident tolerance fuel. Creep is one of the important mechanical properties of the FeCrAl alloys used as fuel claddings under high temperature conditions. This work aims to elucidate the deformation feature and underlying mechanism during the creep process of nanocrystalline FeCrAl alloys using atomistic simulations. The creep curves at different conditions are simulated for FeCrAl alloys with grain sizes (GS) of 5.6-40 nm, and the dependence of creep on temperature, stress and GS are analyzed. The transitions of the mechanisms are analyzed by stress and GS exponents firstly, and further checked not only from microstructural evidence, but also from a vital comparison of activation energies for creep and diffusion. Under low stress conditions, grain boundary (GB) diffusion contributes more to the overall creep deformation than lattice diffusion does for the alloy with small GSs. However, for the alloy with larger GSs, lattice diffusion controls creep. Additionally, a high temperature helps the transition of diffusional creep from the GB to the dominant lattice. Under medium- and high-stress conditions, GB slip and dislocation motion begin to control the creep mechanism. The amount of GB slip increases with the temperature, or decreases with GS. GS and temperature also have an impact on the dislocation behavior. The higher the temperature or the smaller the GS is, the smaller the stress at which the dislocation motion begins to affect creep.
Keywords: creep deformation; mechanism; molecular dynamics; nanocrystalline.