a chemo-mechanical model of diffusion in reactive systems

a chemo-mechanical model of diffusion in reactive systems

;Kerstin Weinberg;Marek Werner;Denis Anders
European journal of medicinal chemistry 2018 Vol. 20 pp. 140-
107
weinberg2018entropya

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.

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0x95644003c57E6F55A65596E3D9Eac6813e3566dA
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248660
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10.3390/e20020140
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