Geodesic
Using correlation functions to model material’s structure with desired physical properties
Matematičeskoe modelirovanie, Tome 27 (2015) no. 4, pp. 50-63

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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. 
@article{MM_2015_27_4_a3,
     author = {M. V. Karsanina and K. M. Gerke and R. V. Vasilyev and D. V. Korost},
     title = {Using correlation functions to model material{\textquoteright}s structure with desired physical properties},
     journal = {Matemati\v{c}eskoe modelirovanie},
     pages = {50--63},
     publisher = {mathdoc},
     volume = {27},
     number = {4},
     year = {2015},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/MM_2015_27_4_a3/}
}
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M. V. Karsanina; K. M. Gerke; R. V. Vasilyev; D. V. Korost. Using correlation functions to model material’s structure with desired physical properties. Matematičeskoe modelirovanie, Tome 27 (2015) no. 4, pp. 50-63. http://geodesic.mathdoc.fr/item/MM_2015_27_4_a3/