Evaluation of Mesostructure of Particulate Composites by Quantitative Stereology and Random Sequential Packing Model of Mono-/Polydisperse Convex Polyhedral Particles

Random packing of particles has served as a topic of intense research in the chemical, physical, engineering, and material fields. The majority of previous works focused on the random packing models of spherical, cylindrical, and ellipsoidal particles, whereas little is known about polyhedral particles. In this article, a modeling study of the random packing of convex polyhedral particles is presented in detail, using an interparticle contact detection algorithm, a particle-to-container wall intersection detection algorithm, and a random sequential packing algorithm for hard particles, and the accuracy and efficiency of the contact detection algorithm are compared with those of methods from the literature. With the random packing model and a specified particle size distribution, mesostructure models of particulate composites with mono-/polydisperse particles were generated and validated by a sectioning analysis algorithm. Based on quantitative stereological theories and the sectioning analysis algorithm, the effects of particle shape on the mesostructures composed of the monodisperse and polydisperse particles were evaluated. Further, the statistical results were verified by validation against experimental results from the literature and theoretical results.

[1]  P. Cundall,et al.  A discrete numerical model for granular assemblies , 1979 .

[2]  Huisu Chen,et al.  Analytical and modeling investigations of volume fraction of interfacial layers around ellipsoidal aggregate particles in multiphase materials , 2012 .

[3]  Richard A. Ketcham,et al.  Novel application of X-ray computed tomography : Determination of gas/liquid contact area and liquid holdup in structured packing , 2007 .

[4]  S Torquato,et al.  Dense packings of polyhedra: Platonic and Archimedean solids. , 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

[5]  Huisu Chen,et al.  An overlapping detection algorithm for random sequential packing of elliptical particles , 2011 .

[6]  Huisu Chen,et al.  A 2D elliptical model of random packing for aggregates in concrete , 2010 .

[7]  Edward J. Garboczi,et al.  Analytical formulas for interfacial transition zone properties , 1997 .

[8]  Xiaodong Jia,et al.  Validation of a digital packing algorithm in predicting powder packing densities , 2007 .

[9]  S. Benyahia,et al.  Estimation of Numerical Errors Related to Some Basic Assumptions in Discrete Particle Methods , 2010 .

[10]  C. H. Juang,et al.  Vertex‐to‐face contact searching algorithm for three‐dimensional frictionless contact problems , 2005 .

[11]  Adil Amirjanov,et al.  The development of a simulation model of the dense packing of large particulate assemblies , 2004 .

[12]  A. Yu,et al.  Discrete particle simulation of particulate systems: Theoretical developments , 2007 .

[13]  Zhao Jian,et al.  Numerical Simulation of Random Close Packing with Tetrahedra , 2008 .

[14]  D. Vidal,et al.  Determination of particle shape distribution of clay using an automated AFM image analysis method , 2010 .

[15]  B. Lubachevsky,et al.  Geometric properties of random disk packings , 1990 .

[16]  Lingyi Meng,et al.  Shape influences on the packing density of frustums , 2011 .

[17]  Stephen R. Williams,et al.  Effect of particle shape on the density and microstructure of random packings , 2007, Journal of physics. Condensed matter : an Institute of Physics journal.

[18]  Huisu Chen,et al.  Numerical investigation of effect of particle shape and particle size distribution on fresh cement paste microstructure via random sequential packing of dodecahedral cement particles , 2013 .

[19]  Príamos Georgiades Signed Distance from Point to plane , 1992, Graphics Gems III.

[20]  C. T. Jayasundara,et al.  Discrete Particle Simulation of Particle Flow in a Stirred Mill: Effect of Mill Properties and Geometry , 2012 .

[21]  Wei Sun,et al.  Overestimation of the interface thickness around convex-shaped grain by sectional analysis , 2007 .

[22]  K. Kitagawa,et al.  Three-Dimensional Water Vapor Visualization in Porous Packing by Near-Infrared Diffuse Transmittance Tomography , 2012 .

[23]  L. J. Sluys,et al.  ITZ volume fraction in concrete with spheroidal aggregate particles and application: Part I. Numerical algorithm , 2011 .

[24]  M. Stroeven,et al.  Particle packing in a model concrete at different levels of the microstructure: Evidence of an intrinsic patchy nature , 2009 .

[25]  Jian-Hong Wu New edge-to-edge contact calculating algorithm in three-dimensional discrete numerical analysis , 2008, Adv. Eng. Softw..

[26]  Nduka Nnamdi (Ndy) Ekere,et al.  Computer simulation of random packing of unequal particles. , 1999, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[27]  L. J. Sluys,et al.  Characterization of the packing of aggregate in concrete by a discrete element approach , 2009 .

[28]  Arshad Kudrolli,et al.  Maximum and minimum stable random packings of Platonic solids. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[29]  Q. H. Jiang,et al.  A Model of Point-to-Face Contact for Three-Dimensional Discontinuous Deformation Analysis , 2004 .

[30]  J. Dolado,et al.  Recent advances in modeling for cementitious materials , 2011 .

[31]  José V. Lemos,et al.  Procedure for contact detection in discrete element analysis , 2001 .

[32]  Ricardo P. Dias,et al.  Particulate binary mixtures : dependence of packing porosity on particle size ratio , 2004 .

[33]  Huisu Chen,et al.  Effects of particle size distribution, shape and volume fraction of aggregates on the wall effect of concrete via random sequential packing of polydispersed ellipsoidal particles , 2013 .

[34]  Juan José Jiménez-Delgado,et al.  Collision detection between complex polyhedra , 2008, Comput. Graph..

[35]  Aibing Yu,et al.  Coordination Number of the Packing of Ternary Mixtures of Spheres: DEM Simulations versus Measurements , 2011 .

[36]  Youssef M A Hashash,et al.  Shortest link method for contact detection in discrete element method , 2006 .

[37]  Piet Stroeven,et al.  Modern perspectives on aggregate in concrete , 2007 .

[38]  JOSEPH O’ROURKE,et al.  A new linear algorithm for intersecting convex polygons , 1982, Comput. Graph. Image Process..

[39]  Y. Peiyu,et al.  Distribution Characteristics of Coarse Aggregate in Wall-Affecting Layer of Concrete , 2009 .

[40]  A. Philipse,et al.  Random packings of spheres and spherocylinders simulated by mechanical contraction. , 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.

[41]  P. Geissler,et al.  Self-assembly of uniform polyhedral silver nanocrystals into densest packings and exotic superlattices. , 2012, Nature materials.

[42]  Chung-In Lee,et al.  A New Contact Method Using Inscribed Sphere for 3D Discontinuous Deformation Analysis , 2009 .

[43]  S. Owens,et al.  Flow Field Visualization in Structured Packing Using Real Time X-ray Radiography , 2009 .

[44]  M. R. Yeung,et al.  A model of edge-to-edge contact for three-dimensional discontinuous deformation analysis , 2007 .

[45]  Y. Lee,et al.  A 3D ellipsoid-based model for packing of granular particles , 2003, Int. J. Comput. Appl. Technol..

[46]  Aibing Yu,et al.  Dense random packings of spherocylinders , 2012 .

[47]  F. Stillinger,et al.  Some Observations on the Random Packing of Hard Ellipsoids , 2006 .

[48]  Yusin Lee,et al.  A packing algorithm for three-dimensional convex particles , 2009 .

[49]  Tao Yu,et al.  Construction and application of multi-element EAM potential (Ni–Al–Re) in γ/γ′ Ni-based single crystal superalloys , 2012 .

[50]  F. Stillinger,et al.  Improving the Density of Jammed Disordered Packings Using Ellipsoids , 2004, Science.

[51]  Ricardo E. Barbosa-Carrillo Discrete element models for granular materials and rock masses , 1990 .

[52]  Junzhi Cui,et al.  An effective computer generation method for the composites with random distribution of large numbers of heterogeneous grains , 2008 .

[53]  N. Pan,et al.  Predictions of effective physical properties of complex multiphase materials , 2008 .

[54]  Aibing Yu,et al.  Modifying the linear packing model for predicting the porosity of nonspherical particle mixtures , 1996 .

[55]  Aibing Yu,et al.  Evaluation of the packing characteristics of mono-sized non-spherical particles , 1996 .

[56]  Aleksandar Donev,et al.  Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I. Algorithmic details , 2005 .

[57]  Huisu Chen,et al.  Microstructural characterization of fresh cement paste via random packing of ellipsoidal cement particles , 2012 .

[58]  A. Munjiza,et al.  The modelling of particle systems with real shapes , 2004, Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.

[59]  Huisu Chen,et al.  Mesostructural characterization of particulate composites via a contact detection algorithm of ellipsoidal particles , 2012 .

[60]  Dawei Zhao,et al.  A fast contact detection algorithm for 3-D discrete element method , 2004 .

[61]  L. J. Sluys,et al.  Theoretical prediction on thickness distribution of cement paste among neighboring aggregates in concrete , 2011 .

[62]  S. Torquato,et al.  Nearest-surface distribution functions for polydispersed particle systems. , 1992, Physical review. A, Atomic, molecular, and optical physics.

[63]  Fernando A Escobedo,et al.  Mesophase behaviour of polyhedral particles. , 2011, Nature materials.

[64]  E. Colbourn,et al.  Investigating the effect of shape on particle segregation using a Monte Carlo simulation , 2010 .

[65]  Jing Hu,et al.  Gradient structures in cementitious materials , 2007 .

[66]  M. Nijemeisland,et al.  Catalyst Deactivation in 3D CFD Resolved Particle Simulations of Propane Dehydrogenation , 2010 .

[67]  David H. Eberly,et al.  Geometric Tools for Computer Graphics , 2002 .

[68]  Aibing Yu,et al.  Discrete particle simulation of gas fluidization of ellipsoidal particles , 2011 .

[69]  Huisu Chen,et al.  Quantitative characterization of the microstructure of fresh cement paste via random packing of polydispersed Platonic cement particles , 2012 .

[70]  P. A. Cundall,et al.  FORMULATION OF A THREE-DIMENSIONAL DISTINCT ELEMENT MODEL - PART I. A SCHEME TO DETECT AND REPRESENT CONTACTS IN A SYSTEM COMPOSED OF MANY POLYHEDRAL BLOCKS , 1988 .

[71]  A. Guttmann,et al.  Exact solution of the staircase and row-convex polygon perimeter and area generating function , 1990 .

[72]  Jeffrey W. Bullard,et al.  Shape analysis of a reference cement , 2004 .

[73]  H. Splittgerber,et al.  Einfluss adsorbierter wasserfilme auf die Van der Waals kraft zwischen quarzglasoberflächen , 1974 .

[74]  Aibing Yu,et al.  Dynamic Simulation of the Packing of Ellipsoidal Particles , 2011 .