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Modeling polycrystalline materials with elongated grains. (English) Zbl 07865208

Summary: A novel algorithm to reproduce the arrangement of grains in polycrystalline materials was recently published by the authors. In this original approach, a dense package of circles (or spheres) with the same distribution as the grains is generated to produce a set of Voronoi cells that are later modified to Laguerre cells representing the original structure. This algorithm was successfully applied to materials with somewhat equidimensional grains; however, it fails for long-shaped grains. In this paper, modifications are provided in order to overcome these drawbacks. This is accomplished by moving each vertex of the Voronoi cells in such a way that the vertex should be equidistant from the particles with respect to the Euclidean destance. The algorithm is applied to packages of ellipses and spherocylinders in 2D. An example for a package of spheres is also provided to illustrate the application for a simple 3D case. The adherence between the generated packages and the corresponding tessellations is verified by means of the Jaccard coefficient (\(J\)). Several packages are generated randomly and the distribution of \(J\) coefficients is investigated. The obtained values satisfy the theoretical restraints and the quality of the proposed algorithm is statistically validated.
{© 2018 John Wiley & Sons, Ltd.}

MSC:

52Cxx Discrete geometry
65Dxx Numerical approximation and computational geometry (primarily algorithms)
65Mxx Numerical methods for partial differential equations, initial value and time-dependent initial-boundary value problems

Software:

Qhull; CGAL
Full Text: DOI

References:

[1] BenabbouA, BorouchakiH, LaugP, LuJ. Geometrical modeling of granular structures in two and three dimensions. Application to nanostructures. Int J Numer Methods Eng. 2009;80(4):425‐454. · Zbl 1176.74051
[2] HittiMK. Direct Numerical Simulation of Complex Representative Volume Elements (RVEs): Generation, Resolution and Homogenization [PhD thesis]. Paris, France: École Nationale Supérieure des Mines de Paris; 2011.
[3] MorfaCR, deFariasMM, MoralesIPP, deNavarraEOI, ValeraRR. Virtual modeling of polycrystalline structures of materials using particle packing algorithms and Laguerre cells. Comput Part Mech. 2018;5(2):213‐226.
[4] BlancoPJ, SánchezPJ, deSouza NetoEA, FeijóoRA. Variational foundations and generalized unified theory of RVE‐based multiscale models. Arch Comput Methods Eng. 2016;23(2):191‐253. · Zbl 1348.74003
[5] ValeraRR, MoralesIP, VanmaerckeS, MorfaCR, CortésLA, CasañasHD‐G. Modified algorithm for generating high volume fraction sphere packings. Comput Part Mech. 2015;2(2):161‐172.
[6] RycroftCH. Multiscale Modeling in Granular Flow [PhD thesis]. Cambridge, MA: Department of Mathematics, Massachusetts Institute of Technology; 2007.
[7] RycroftC. Voro++: a three‐dimensional Voronoi cell library in C++. http://crd.lbl.gov/departments/applied-mathematics/math/software/voro-a-three-dimensional-voronoi-library-in-c/. Accessed August 2018.
[8] CGAL: the computational geometry algorithms library. https://www.cgal.org/. Accessed August 2018.
[9] Qhull. http://www.qhull.org/. Accessed August 2018.
[10] EmirisIZ, TsigaridasEP, TzoumasGM. Exact Voronoi diagram of smooth convex pseudo‐circles: general predicates, and implementation for ellipses. Comput Aided Geom Des. 2013;30(8):760‐777. · Zbl 1284.65030
[11] DongK, WangC, YuA. Voronoi analysis of the packings of non‐spherical particles. Chem Eng Sci. 2016;153(Suppl C):330‐343.
[12] MoralesIP, deFariasMM, ValeraRR, MorfaCR, Martínez CarvajalHE. Contributions to the generalization of advancing front particle packing algorithms. Int J Numer Methods Eng. 2016;107(12):993‐1008. · Zbl 1352.65409
[13] MoralesIP, ValeraRR, MorfaCR, deFariasMM. Dense packing of general‐shaped particles using a minimization technique. Comput Part Mech. 2017;4(2):165‐179.
[14] DezaMM, DezaE. Encyclopedia of Distances. 1st ed. Berlin, Germany: Springer‐Verlag Berlin Heidelberg; 2009. · Zbl 1167.51001
[15] HohenwarterA, PippanR. Fracture and fracture toughness of nanopolycrystalline metals produced by severe plastic deformation. Philos Trans A Math Phys Eng Sci. 2015;373(2038):20140366.
[16] FengYT, HanK, OwenDRJ. An advancing front packing of polygons, ellipses and spheres. In: CookBK (ed.), JensenRP (ed.), eds. Discrete Element Methods: Numerical Modeling of Discontinua. Santa Fe, NM: American Society of Civil Engineers; 2002:93‐98.
[17] LevandowskyM, WinterD. Distance between sets. Nature. 1971;234:34‐35.
[18] WeissteinEW. Circle packing. http://mathworld.wolfram.com/CirclePacking.html. Accessed October 2018.
[19] WeissteinEW. Kepler conjecture. http://mathworld.wolfram.com/KeplerConjecture.html. Accessed October 2018.
[20] WeissteinEW. Cubic close packing. http://mathworld.wolfram.com/CubicClosePacking.html. Accessed October 2018.
[21] WeissteinEW. Hexagonal close packing. http://mathworld.wolfram.com/HexagonalClosePacking.html. Accessed October 2018.
[22] SaucierR. Computer generation of statistical distributions. ARL‐TR‐2168. Army Research Laboratory; 2000. http://disi.unal.edu.co/ gjhernandezp/psc/lectures/04/random.pdf. Accessed October 2018.
[23] EverittBS, SkrondalA. The Cambridge Dictionary of Statistics. 4th ed. Cambridge, UK: Cambridge University Press; 2010. · Zbl 1270.62001
[24] KabacoffRI. R in Action: Data Analysis and Graphics With R. Shelter Island, NY: Manning Publications Co; 2011.
[25] BenabbouA, BorouchakiH, LaugP, LuJ. Numerical modeling of nanostructured materials. Finite Elem Anal Des. 2010;46(1‐2):165‐180.
[26] O’SullivanC. Particulate Discrete Element Modelling: A Geomechanics Perspective. Abingdon, UK: Spon Press; 2011.
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