Smoothed boundary method for simulating incompressible flow in complex geometries

Termuhlen, Robert; Fitzmaurice, Kieran; Yu, Hui-Chia

doi:10.1016/j.cma.2022.115312

Cited by 5 publications

(3 citation statements)

References 56 publications

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“…To increase the simulation accuracy, octree adaptive mesh refinement (AMR) , was performed to generate the mesh systems in which fine mesh was used near the diffuse interfaces while coarse mesh was used in the particle and electrolyte bulk regions. With one level of refinement, the diffuse interface thickness was controlled to be approximately two root-level grid spacings.…”

Section: Model and Methodsmentioning

confidence: 99%

Multiphysics Electrochemical Impedance Simulations of Complex Multiphase Graphite Electrodes

2023

ACS Appl. Energy Mater.

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Electrochemical impedance spectroscopy (EIS) is a widely used technique to measure the properties of materials in electrochemical systems. However, the obtained quantities are difficult to directly connect to the microstructure-level phenomena. In this work, detailed electrochemical microstructure simulations were performed to investigate the EIS behavior of the phaseseparating graphite electrodes. The Cahn−Hilliard phase-field equation was employed to model Li transport in the graphite particles. In graphite electrodes that were in single-phase stages, the obtained charge-transfer resistance reflected the total active surface areas. The effect of pore tortuosity, which dominates an electrode's high-rate performance, cannot be reflected in the EIS behavior. In twophase coexistence graphite electrodes, when phase boundaries were present on the particle surfaces, the simulations exhibited an inductive loop on the simulated EIS curve. In the core−shell phase-morphology cases, the EIS measurements reflected only the properties of the shells. The resulting EIS curves are indistinguishable from those in the single-phase cases. While Fick's law of diffusion has been mistakenly employed to model Li transport in phase-separating graphite electrodes, our simulations showed that the EIS curves obtained using the Fickian diffusion model are very similar to those obtained using the Cahn−Hilliard phase-field model. This presented tool provides unprecedented detailed simulations to connect the intrinsic material properties, the electrochemical processes in the microstructures, and the resulting EIS behavior.

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Section: Model and Methodsmentioning

confidence: 99%

Multiphysics Electrochemical Impedance Simulations of Complex Multiphase Graphite Electrodes

2023

ACS Appl. Energy Mater.

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“…As we mentioned, nanofluids have several uses in engineering and industry applications. For complex geometries, real flows are governed by a set of nonlinear equations [25,26]. Therefore, numerical approaches have been used to find suitable and acceptable solutions, like macroscopic methods (finite volume (FVM), finite difference(FDM), and finite element (FEM) methods) and mesoscopic method (Lattice Boltzmann (LBM)).…”

Section: Introductionmentioning

confidence: 99%

Numerical investigation of natural convection heat transfer using TiO₂/Al₂O₃-water nanofluids

Oulahou,

Elguennouni,

Hssikou

et al. 2024

FME Transactions

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Recently, nanofluids have been used as an alternative in several industries to improve the heat transfer process. This paper focuses on the numerical modeling of the performance of the natural convection process through TiO₂/Al₂O₃-water nanofluids in a square cavity containing a heated block. The lattice Boltzmann method is used in this study to present the nanofluid heat transfer enhancement. Results are presented in terms of streamlines, isothermal contours, and Nusselt number profiles. The findings demonstrate that by raising the Rayleigh number and solid nanoparticle concentration, the average Nusselt number increases, and they reveal that the heated block enormously affects the flow structure and heat transfer. It is also demonstrated that the type of nanoparticles significantly impacts the natural convection heat transfer.

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“…We use FDM to solve the governing equations, with the stencil of a variable-coefficient second-order derivative operator in 3D as 41,43 where the subscripts W, E, S, N, B, and T indicate the west, east, south, north, bottom, and top directions, respectively, the subscript C indicates the center node, u i are the values at different nodes, and s i are the distance from the center node to its (direct or virtual) neighbors in the i direction. ξ i = (ψ i + ψ C )/2 is the average value of ψ between the center node and its (direct or virtual) neighbor.…”

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confidence: 99%

Complex Electrode Microstructure Simulations using a Smoothed Boundary Method with Adaptive Mesh Refinement

Malik

2022

J. Electrochem. Soc.

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Lithium-ion batteries have gained significant attention in the research community due to their increasing utilization in various applications for energy storage. However, the dependence of macroscopic battery performance on microscopic electrode structures is not fully understood, thus hindering a systematic, comprehensive manner of optimizing electrode performance via the microstructures. Computer simulation can serve as a powerful tool to close the knowledge gaps in our understanding of microstructure phenomena. In this work, we present a smoothed boundary method (SBM) electrochemical simulation framework with adaptive mesh refinement (AMR). This method allows the use of mesh non-conforming to the domain of interest when solving the governing equations. Therefore, the arduous tasks of generating meshes conforming to the highly complex electrode microstructures required in the conventional sharp-interface methods can be circumvented. The accuracy of the SBM approach can be significantly enhanced with AMR. The material properties of Li x Ni1/3Mn1/3Co1/3O2 from literature data are parameterized to be the input of the simulations. One-dimensional and three-dimensional simulations are utilized to study the error behavior and demonstrate this framework’s capabilities. This simulation framework can be easily adapted and extended to study a wide variety of electrode microstructure phenomena in other electrochemical systems.

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Smoothed boundary method for simulating incompressible flow in complex geometries

Cited by 5 publications

References 56 publications

Multiphysics Electrochemical Impedance Simulations of Complex Multiphase Graphite Electrodes

Multiphysics Electrochemical Impedance Simulations of Complex Multiphase Graphite Electrodes

Numerical investigation of natural convection heat transfer using TiO₂/Al₂O₃-water nanofluids

Complex Electrode Microstructure Simulations using a Smoothed Boundary Method with Adaptive Mesh Refinement

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