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Using cell-automation approach to create digital twins of hierarchical porous structures
- Authors: Lebedev I.V.1, Gashenko V.I.1, Fedotova O.V.1, Abramov A.A.1, Tsygankov P.Y.1, Men’shutina N.V.1
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Affiliations:
- Russian University of Chemical Technology named after D.I. Mendeleev
- Issue: Vol 59, No 2 (2025)
- Pages: 47-57
- Section: Articles
- Published: 04.09.2025
- URL: https://rjraap.com/0040-3571/article/view/689786
- DOI: https://doi.org/10.31857/S0040357125020049
- EDN: https://elibrary.ru/ndcdxf
- ID: 689786
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Abstract
This paper proposes a multiscale model based on a cellular-automation approach for generating digital doubles of porous hierarchical structures of sodium alginate-based aerogels. The proposed model utilizes a cell-automation approach to generate structures at meso- and macro-levels and then combine them into a single digital multiscale structure that contains both meso- and macro-pores. Samples of sodium alginate-based aerogels have been experimentally investigated. Computational experiments have been carried out to generate digital structures corresponding to the experimental samples obtained. Comparison of the structural characteristics of digital and experimental samples was carried out, on the basis of which conclusions were drawn about the correct operation of the model. The obtained digital multiscale structures can be used in the future to predict the properties of hierarchical structures, which will partially replace in situ experiments with computational ones and, therefore, reduce costs in the development of new materials with specified properties.
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About the authors
I. V. Lebedev
Russian University of Chemical Technology named after D.I. Mendeleev
Email: chemcom@muctr.ru
Russian Federation, Moscow
V. I. Gashenko
Russian University of Chemical Technology named after D.I. Mendeleev
Email: chemcom@muctr.ru
Russian Federation, Moscow
O. V. Fedotova
Russian University of Chemical Technology named after D.I. Mendeleev
Email: chemcom@muctr.ru
Russian Federation, Moscow
A. A. Abramov
Russian University of Chemical Technology named after D.I. Mendeleev
Email: chemcom@muctr.ru
Russian Federation, Moscow
P. Yu. Tsygankov
Russian University of Chemical Technology named after D.I. Mendeleev
Email: chemcom@muctr.ru
Russian Federation, Moscow
N. V. Men’shutina
Russian University of Chemical Technology named after D.I. Mendeleev
Author for correspondence.
Email: chemcom@muctr.ru
Russian Federation, Moscow
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