Abstract
Recent studies on metamorphic petrology as well as microstructural observations suggest the influence of mechanical effects upon chemically active metamorphic minerals. Thus, the understanding of such a coupling is crucial to describe the dynamics of geomaterials. In this effort, we derive a thermodynamically consistent framework to characterize the evolution of chemically active minerals. We model the metamorphic mineral assemblages as a solid-species solution where the species mass transport and chemical reaction drive the stress generation process. The theoretical foundations of the framework rely on modern continuum mechanics, thermodynamics far from equilibrium, and the phase-field model. We treat the mineral solid solution as a continuum body, and following the Larché and Cahn network model, we define displacement and strain fields. Consequently, we obtain a set of coupled chemo-mechanical equations. We use the aforementioned framework to study single minerals as solid solutions during metamorphism. Furthermore, we emphasise the use of the phase-field framework as a promising tool to model complex multi-physics processes in geoscience. Without loss of generality, we use common physical and chemical parameters found in the geoscience literature to portrait a comprehensive view of the underlying physics. Thereby, we carry out 2D and 3D numerical simulations using material parameters for mineral solid solutions to showcase and verify the chemo-mechanical interactions of mineral solid solutions that undergo spinodal decomposition, chemical reactions, and deformation.
Highlights
When considering a deformable medium, chemical reactions may affect the solid’s strength and its mechanical properties
Finding innovative ways of approaching the modeling of solids is an essential open research topic in science and engineering. Areas such as material science and geoscience are continually searching for new models that allow to improve the properties of materials or to understand the formation of mineral assemblages, which directly relate to solids undergoing chemical processes
We develop a thermodynamically consistent model that describes the evolution of chemically active mineral solid solutions
Summary
When considering a deformable medium, chemical reactions may affect the solid’s strength and its mechanical properties. High mechanical strength may restrict either the volumetric shrinkage or swelling associated with the local volume changes caused by the chemical processes. Finding innovative ways of approaching the modeling of solids is an essential open research topic in science and engineering Areas such as material science and geoscience are continually searching for new models that allow to improve the properties of materials or to understand the formation of mineral assemblages, which directly relate to solids undergoing chemical processes. Larché and Cahn introduced the equilibrium conditions for deformable bodies, which change composition as a result of chemical processes [13,14,15]. 2, we present a detailed thermodynamically consistent treatment to the chemo-mechanical responses of the mineral solid solution. We show the weak form of a finite element approach to solve the coupled systems of equations in their primal form
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