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Matem. Mod., 2015, Volume 27, Number 4, Pages 50–63 (Mi mm3590)  

This article is cited in 1 scientific paper (total in 1 paper)

Using correlation functions to model materials structure with desired physical properties

M. V. Karsaninaab, K. M. Gerkeac, R. V. Vasilyevdb, D. V. Korostd

a Institute of Geosphere Dynamics of the Russian Academy of Sciences, Moscow
b AIR Technology, Moscow
c CSIRO Land and Water, PB2, Glen Osmond SA 5064, Australia
d Lomonosov Moscow State University, Geology Faculty, Moscow

Abstract: To solve numerous fundamental and applied problems across different scientific disciplines and industrial applications it is crucial to design materials with desired structural and physicochemical properties. One of the methods to quantify microstructure of a porous material is by means of correlation functions. Using so-called simulated annealing stochastic optimization method one can use correlation functions to construct/reconstruct of different structures. In this study we use analytical correlation functions with three parameters to construct 60 different structures of hypothetical porous materials. Using finite-difference solution of Stokes equation effective permeability values are obtained for each constructed 3D structure. Based on the results we show that it is possible to design a porous material with desired physical (permeability) and structural (characteristic pore size) properties.

Keywords: material design, porous media, alloys, permeability, effective property, pore-scale modeling.

Full text: PDF file (1622 kB)
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UDC: 519.8, 66
Received: 14.11.2013

Citation: M. V. Karsanina, K. M. Gerke, R. V. Vasilyev, D. V. Korost, “Using correlation functions to model materials structure with desired physical properties”, Matem. Mod., 27:4 (2015), 50–63

Citation in format AMSBIB
\Bibitem{KarGerVas15}
\by M.~V.~Karsanina, K.~M.~Gerke, R.~V.~Vasilyev, D.~V.~Korost
\paper Using correlation functions to model materials structure with desired physical properties
\jour Matem. Mod.
\yr 2015
\vol 27
\issue 4
\pages 50--63
\mathnet{http://mi.mathnet.ru/mm3590}
\elib{http://elibrary.ru/item.asp?id=24850012}


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    This publication is cited in the following articles:
    1. R. V. Vasilyev, K. M. Gerke, M. V. Karsanina, D. V. Korost, “Solving Stokes equation in three-dimensional geometry using finite-difference method”, Math. Models Comput. Simul., 8:1 (2016), 63–72  mathnet  crossref  mathscinet  elib
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