A numerical method for finite-strain mechanochemistry with localised chemical reactions treated using a Nitsche approach

Abstract

In this paper, a novel finite-element based method for finite-strain mechanochemistry with moving reaction fronts, which separate the chemically transformed and the untransformed phases, is proposed. The reaction front cuts through the finite elements and moves independently of the finite-element mesh, thereby removing the necessity for remeshing. The proposed method solves the coupled mechanics-diffusion–reaction problem. In the mechanical part of the problem, the force equilibrium and the displacement continuity conditions at the reaction front are enforced weakly using a Nitsche-like method. The formulation is applicable to the case of large deformations and arbitrary constitutive behaviour, and is also consistent with the minimisation of the total potential energy.