a chemo-mechanical model of diffusion in reactive systems
Clicks: 210
ID: 248660
2018
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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.
| Reference Key |
weinberg2018entropya
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|---|---|
| Authors | ;Kerstin Weinberg;Marek Werner;Denis Anders |
| Journal | European journal of medicinal chemistry |
| Year | 2018 |
| DOI |
10.3390/e20020140
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| URL | |
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