Abstract
The functional properties of multi-component materials are often determined by a rearrangement of their different phases and by chemical reactions of their components. In this contribution, a material model is presented which enables computational simulations and structural optimization of solid multi-component systems. Typical Systems of this kind are anodes in batteries, reactive polymer blends and propellants. The physical processes which are assumed to contribute to the microstructural evolution are: (i) particle exchange and mechanical deformation; (ii) spinodal decomposition and phase coarsening; (iii) chemical reactions between the components; and (iv) energetic forces associated with the elastic field of the solid. To illustrate the capability of the deduced coupled field model, three-dimensional Non-Uniform Rational Basis Spline (NURBS) based finite element simulations of such multi-component structures are presented.
Highlights
Designed multi-component materials become more and more important in many technical applications
We focus on a thermodynamically sound and efficient model which captures the essential features of the multi-field system but does not necessarily include all aspects connected with specific chemical reactions
In the following we present the evolution of multi-component systems with particular emphasis on the effect of the elastic field
Summary
Designed multi-component materials become more and more important in many technical applications. The functional material properties are often provided by means of chemical reactions. There is a huge range of desired and undesired chemical reactions in multi-component systems, e.g., the corrosion of metal alloys, the combustion of propellants, the discharging process in batteries or photochemical reactions in bio-chemistry, to name a few. Because the main feature of chemical reactions is their ability to generate substances which have different properties than their base products, some of these reactions can be exploited for micro-structural optimization of the multi-component system. There is a need for a profound knowledge of the processes ongoing in multi-component reaction-diffusion systems. The analysis of structure, formation and dynamics of patterns in reactive media leads to specific rate equations and stability criteria [3,4]. The acquired mathematical knowledge on such systems is too extensive to be discussed here, we refer to [5] and references therein
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