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The microstructure of materials evolves through chemical reactions andmechanical stress, often strongly coupled in phenomena such as pressuresolution or crystallization pressure. This article presents MASKE: a simulatorto address the challenge of modelling coupled chemo-mechanical processes inmicrostructures. MASKE represents solid phases as agglomerations of particleswhose off-lattice displacements generate mechanical stress through interactionpotentials. Particle precipitation and dissolution are sampled using KineticMonte Carlo, with original reaction rate equations derived from TransitionState Theory and featuring contributions from mechanical interactions.Molecules in solution around the solid are modelled implicitly, throughconcentrations that change during microstructural evolution and define thesaturation indexes for user-defined chemical reactions. The structure andimplementation of the software are explained first. Then, two examples on ananocrystal of calcium hydroxide address its chemical equilibrium and itsmechanical response under a range of imposed strain rates, involvingstress-driven dissolution and recrystallization. These examples highlightMASKE's distinctive ability to simulate strongly coupled chemo-mechanicalprocesses. MASKE is available, open-source, on GitHub.

MASKE: A kinetic simulator of coupled chemo-mechanical processes driving microstructural evolution