Diffuse interface modeling of void growth in irradiated materials. Mathematical, thermodynamic and atomistic perspectives

Abstract We present an assessment of the diffuse interface models of void growth in irradiated materials. Since the void surface is inherently sharp, diffuse interface models for void growth must be constructed in a way to make them consistent with the sharp-interface description of the problem. Therefore, we first present the sharp-interface description of the void growth problem and deduce the equation of motion for the void surface. We also compare two existing phase field models to determine which one corresponds to the sharp-interface analysis. It was shown that a phase field model of type C, which couples Cahn–Hilliard and Allen–Cahn equations, is the most adequate since this type of model can take into account the reaction of point defects at the void surface via an Allen–Cahn equation. Fixing the model parameters in the diffuse interface model is discussed from the points of view of asymptotic matching. Sample results for void growth in a single component metal based on sharp and diffuse interface models are presented. Finally, a perspective on the use of atomistic modeling in both constitutive and nucleation modeling within the phase field approach for void formation in irradiated materials is presented.