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End date: 2024 × Start date: 2020 × Type: report × Version: publishedVersion × Subject: non-equilibrium thermodynamics ×

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Now showing 1 - 5 of 5
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    Multiscale thermodynamics of charged mixtures
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Vágner, Petr; Pavelka, Michal; Esen, Oğul
    A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely geometric way by means of semidirect products. This leads to a complex Hamiltonian system with a new Poisson bracket, which can be used in principle with any energy functional. The thermodynamic (irreversible) part is added as gradient dynamics, generated by derivatives of a dissipation potential, which makes the theory part of the GENERIC framework. Subsequently, Dynamic MaxEnt reductions are carried out, which lead to reduced GENERIC models for smaller sets of state variables. Eventually, standard engineering models are recovered as the low-level limits of the detailed theory. The theory is then compared to recent literature.
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    Homogenization of a porous intercalation electrode with phase separation
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Heida, Martin; Landstorfer, Manuel; Liero, Matthias
    In this work, we derive a new model framework for a porous intercalation electrode with a phase separating active material upon lithium intercalation. We start from a microscopic model consisting of transport equations for lithium ions in an electrolyte phase and intercalated lithium in a solid active phase. Both are coupled through a Neumann--boundary condition modeling the lithium intercalation reaction. The active material phase is considered to be phase separating upon lithium intercalation. We assume that the porous material is a given periodic microstructure and perform analytical homogenization. Effectively, the microscopic model consists of a diffusion and a Cahn--Hilliard equation, whereas the limit model consists of a diffusion and an Allen--Cahn equation. Thus we observe a Cahn--Hilliard to Allen--Cahn transition during the upscaling process. In the sense of gradient flows, the transition goes in hand with a change in the underlying metric structure of the PDE system.
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    Untangling dissipative and Hamiltonian effects in bulk and boundary driven systems
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2022) Renger, D. R. Michiel; Sharma, Upanshu
    Using the theory of large deviations, macroscopic fluctuation theory provides a framework to understand the behaviour of non-equilibrium dynamics and steady states in emphdiffusive systems. We extend this framework to a minimal model of non-equilibrium emphnon-diffusive system, specifically an open linear network on a finite graph. We explicitly calculate the dissipative bulk and boundary forces that drive the system towards the steady state, and non-dissipative bulk and boundary forces that drives the system in orbits around the steady state. Using the fact that these forces are orthogonal in a certain sense, we provide a decomposition of the large-deviation cost into dissipative and non-dissipative terms. We establish that the purely non-dissipative force turns the dynamics into a Hamiltonian system. These theoretical findings are illustrated by numerical examples.
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    A kinetic model of a polyelectrolyte gel undergoing phase separation
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Celora, Giulia L.; Hennessy, Matthew G.; Münch, Andreas; Wagner, Barbara; Waters, Sarah L.
    In this study we use non-equilibrium thermodynamics to systematically derive a phase-field model of a polyelectrolyte gel coupled to a thermodynamically consistent model for the salt solution surrounding the gel. The governing equations for the gel account for the free energy of the internal interfaces which form upon phase separation, as well as finite elasticity and multi-component transport. The fully time-dependent model describes the evolution of small changes in the mobile ion concentrations and follows their impact on the large-scale solvent flux and the emergence of long-time pattern formation in the gel. We observe a strong acceleration of the evolution of the free surface when the volume phase transition sets in, as well as the triggering of spinodal decomposition that leads to strong inhomogeneities in the lateral stresses, potentially leading to experimentally visible patterns.
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    A modeling framework for efficient reduced order simulations of parametrized lithium-ion battery cells
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2021) Landstorfer, Manuel; Ohlberger, Mario; Rave, Stephan; Tacke, Marie
    In this contribution we present a new modeling and simulation framework for parametrized Lithium-ion battery cells. We first derive a new continuum model for a rather general intercalation battery cell on the basis of non-equilibrium thermodynamics. In order to efficiently evaluate the resulting parameterized non-linear system of partial differential equations the reduced basis method is employed. The reduced basis method is a model order reduction technique on the basis of an incremental hierarchical approximate proper orthogonal decomposition approach and empirical operator interpolation. The modeling framework is particularly well suited to investigate and quantify degradation effects of battery cells. Several numerical experiments are given to demonstrate the scope and efficiency of the modeling framework.