Publication de 6 numéros par an
ISSN Imprimer: 1543-1649
ISSN En ligne: 1940-4352
Indexed in
Wavelet-based Spatiotemporal Multiscaling in Diffusion Problems with Chemically Reactive Boundary
RÉSUMÉ
Chemically reacting flows over catalytic and noncatalytic surfaces are one of the elementary operations in chemical processing plants. The underlying physical phenomena span time and length scales over several orders of magnitude, which a robust and flexible modeling framework must efficiently account for. With this purpose as the eventual goal, we propose a wavelet-based multiscale numerical framework and demonstrate it on the coupling of two prototype methods for the problem of species generated on a chemically reactive boundary and diffusing through the bulk. The two methods consider different time and length scales. The first method in this coupling, termed "fine," models the chemical reactions on the reactive boundary stochastically by the kinetic Monte Carlo method and the diffusion in the medium deterministically using relatively small time increments and small spatial discretization mesh size. The second method, termed "coarse," models both the reaction and the diffusion deterministically and uses drastically larger time increments and spatial discretization size than the fine model. The two methods are coupled by forming a spatiotemporal compound wavelet matrix that combines information about the time and spatial scales contained in them.
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Echekki Tarek, Multiscale methods in turbulent combustion: strategies and computational challenges, Computational Science & Discovery, 2, 1, 2009. Crossref
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Frantziskonis George N., Matikas Theodore E., Multiscale Wavelet-Based Analysis and Characterization of Fretting Fatigue Damage in Titanium Alloys, MATERIALS TRANSACTIONS, 50, 7, 2009. Crossref
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Frantziskonis G., Muralidharan K., Deymier P., Simunovic S., Nukala P., Pannala S., Time-parallel multiscale/multiphysics framework, Journal of Computational Physics, 228, 21, 2009. Crossref
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Scheibe Timothy D., Murphy Ellyn M., Chen Xingyuan, Rice Amy K., Carroll Kenneth C., Palmer Bruce J., Tartakovsky Alexandre M., Battiato Ilenia, Wood Brian D., An Analysis Platform for Multiscale Hydrogeologic Modeling with Emphasis on Hybrid Multiscale Methods, Groundwater, 53, 1, 2015. Crossref
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Muralidharan Krishna, Mishra Sudib K., Frantziskonis G., Deymier P. A., Nukala Phani, Simunovic Srdjan, Pannala Sreekanth, Dynamic compound wavelet matrix method for multiphysics and multiscale problems, Physical Review E, 77, 2, 2008. Crossref
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Gur Sourav, Danielson Thomas, Xiong Qingang, Hin Celine, Pannala Sreekanth, Frantziskonis George, Savara Aditya, Daw C. Stuart, Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis, Chemical Engineering Science, 144, 2016. Crossref
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Gur Sourav, Frantziskonis George N, Linking simulations and experiments for the multiscale tracking of thermally induced martensitic phase transformation in NiTi SMA, Modelling and Simulation in Materials Science and Engineering, 24, 7, 2016. Crossref
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Muralidharan Krishna, Runge Keith, Deymier Pierre A., Consistent Embedding Frameworks for Predictive Multi-theory Multiscale Simulations, in Multiscale Paradigms in Integrated Computational Materials Science and Engineering, 226, 2016. Crossref
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Deymier Pierre A., Runge Keith, Introduction, in Multiscale Paradigms in Integrated Computational Materials Science and Engineering, 226, 2016. Crossref
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Mishra Sudib K., Muralidharan Krishna, Deymier Pierre, Frantziskonis George, Simunovic Srdjan, Pannala Sreekanth, Wavelet Based Spatial Scaling of Coupled Reaction Diffusion Fields, in Computational Science – ICCS 2008, 5102, 2008. Crossref
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Pannala Sreekanth, Simunovic Srdjan, Frantziskonis George, Multiscale/Multiphysics Modeling of Biomass Thermochemical Processes, in Computational Modeling in Lignocellulosic Biofuel Production, 1052, 2010. Crossref
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Gur Sourav, Frantziskonis George N., Pannala Sreekanth, Daw C. Stuart, Application of Wavelet-Based Methods for Accelerating Multi-Time-Scale Simulation of Bistable Heterogeneous Catalysis, Industrial & Engineering Chemistry Research, 56, 9, 2017. Crossref