Numerical investigation of effect of particle shape and particle size distribution on fresh cement paste microstructure via random sequential packing of dodecahedral cement particles

At the microscopic scale, fresh cement paste is composed of random packing of irregular cement particles and their packing behavior plays an important role in microstructure evolution. The characterization of fresh cement paste microstructure is of particular interest in its physical properties, such as mechanical and transport properties. The preponderance of previous work has focused on the microstructure model by random packing of ellipsoidal particles, and little is known about three-dimensional (3D) non-ellipsoidal particles. In this paper, a modified cement particle size distribution function is used to facilitate particle size distribution of dodecahedral particles. Based on a random sequential algorithm, the microstructure model of fresh cement paste is simulated by the random sequential packing of dodecahedral particles with various sizes. Applying stereological tools and a serial sectioning analysis technique, the simulated microstructure composed of multi-sized dodecahedral cement particles is characterized and compared with that of ellipsoidal cement particles developed by the preliminary work to evaluate the influence of cement particle shape on the microstructure of fresh cement paste. Moreover, the random packings of multi-sized dodecahedral particles satisfied with three specified particle size distribution functions, respectively, are investigated to assess the effect of particle size distribution on the random packing of the dodecahedral particles. Finally, the reliability of the statistical results is verified by theoretical solutions.

[1]  Carsten Könke,et al.  Mesoscale modeling of concrete: Geometry and numerics , 2006 .

[2]  Pradip Roul,et al.  Mechanical properties of non-cohesive polygonal particle aggregates , 2011 .

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

[4]  K. Van Breugel,et al.  Simulation of hydration and formation of structure in hardening cement-based materials , 1991 .

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

[6]  E. Garboczi,et al.  New Effective Medium Theory for the Diffusivity or Conductivity of a Multi-Scale Concrete Microstructure Model | NIST , 2000 .

[7]  P. Stroeven,et al.  Local porosity analysis of pore structure in cement paste , 2005 .

[8]  S. Diamond.  PERCOLATION DUE TO OVERLAPPING ITZS IN LABORATORY MORTARS? A MICROSTRUCTURAL EVALUATION , 2003 .

[9]  Jiansheng Xiang,et al.  Three-dimensional particle shape acquisition and use of shape library for DEM and FEM/DEM simulation , 2008 .

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

[11]  B. Bary,et al.  Influence of inclusion shapes on the effective linear elastic properties of hardened cement pastes , 2006 .

[12]  Benoit Fournier,et al.  Quantification of the residual mortar content in recycled concrete aggregates by image analysis , 2009 .

[13]  A. Ibrahimbegovic,et al.  Anisotropic constitutive model of plasticity capable of accounting for details of meso-structure of two-phase composite material , 2012 .

[14]  Arun Shukla,et al.  Microstructural Simulation of Asphalt Materials: Modeling and Experimental Studies , 2004 .

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

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

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

[18]  D. Pedroso,et al.  Molecular dynamics simulations of complex-shaped particles using Voronoi-based spheropolyhedra. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[19]  Ling Li,et al.  Breaking processes in three-dimensional bonded granular materials with general shapes , 2012, Comput. Phys. Commun..

[20]  K. Scrivener,et al.  The Interfacial Transition Zone (ITZ) Between Cement Paste and Aggregate in Concrete , 2004 .

[21]  David W. Fowler,et al.  Some properties of irregular 3-D particles , 2006 .

[22]  Sun-Myung Kim,et al.  Meso-scale computational modeling of the plastic-damage response of cementitious composites , 2011 .

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

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

[25]  A. Ibrahimbegovic,et al.  Probability Based Size Effect Representation for Failure in Civil Engineering Structures Built of Heterogeneous Materials , 2011 .

[26]  H. Brouwers,et al.  Particle-size distribution and packing fraction of geometric random packings. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

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

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

[29]  Runyu Yang,et al.  Discrete particle simulation of particulate systems: A review of major applications and findings , 2008 .

[30]  Joost C. Walraven,et al.  The use of particle packing models to design ecological concrete , 2009 .

[31]  L. J. Sluys,et al.  ITZ volume fraction in concrete with spheroidal aggregate particles and application: Part II. Prediction of the chloride diffusivity of concrete , 2011 .

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

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

[34]  Jianjun Zheng,et al.  A numerical algorithm for the ITZ area fraction in concrete with elliptical aggregate particles , 2009 .

[35]  Zhihui Sun,et al.  Modeling the elastic properties of concrete composites: Experiment, differential effective medium theory, and numerical simulation , 2007 .

[36]  Richard A Williams,et al.  A packing algorithm for particles of arbitrary shapes , 2001 .

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

[38]  Shashank Bishnoi,et al.  µic: A New Platform for Modelling the Hydration of Cements , 2009 .

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

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

[41]  Jianjun Zheng,et al.  Characterization of Microstructure of Interfacial Transition Zone in Concrete , 2005 .

[42]  Edward J. Garboczi,et al.  Micrometer-scale 3-D shape characterization of eight cements: Particle shape and cement chemistry, and the effect of particle shape on laser diffraction particle size measurement , 2010 .

[43]  P. Stroeven,et al.  ITZ's structural evolution during hydration in model concrete , 2009 .

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

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

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

[47]  Aleksandar Donev,et al.  A linear programming algorithm to test for jamming in hard-sphere packings , 2002 .

[48]  B. Oh,et al.  PREDICTION OF DIFFUSIVITY OF CONCRETE BASED ON SIMPLE ANALYTIC EQUATIONS , 2004 .

[49]  Haeng-Ki Lee,et al.  Computational modeling of the response and damage behavior of fiber reinforced cellular concrete , 2004 .

[50]  Xinhua Yang,et al.  A THREE-DIMENSIONAL AGGREGATE GENERATION AND PACKING ALGORITHM FOR MODELING ASPHALT MIXTURE WITH GRADED AGGREGATES , 2010 .

[51]  P. Navi,et al.  Three-dimensional characterization of the pore structure of a simulated cement paste , 1999 .

[52]  Randall M. German,et al.  Particle packing characteristics , 1989 .

[53]  Nick R. Buenfeld,et al.  Assessing the influence of ITZ on the steady-state chloride diffusivity of concrete using a numerical model , 2009 .

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

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

[56]  Adnan Ibrahimbegovic,et al.  Failure of heterogeneous materials: 3D meso‐scale FE models with embedded discontinuities , 2010 .

[57]  Z. M. Wang,et al.  Mesoscopic study of concrete I: generation of random aggregate structure and finite element mesh , 1999 .

[58]  Z. M. Wang,et al.  Mesoscopic study of concrete II: nonlinear finite element analysis , 1999 .

[59]  Keiichi N. Ishihara,et al.  Modelling local voids using an irregular polyhedron based on natural neighbourhood and application to characterize near-dense random packing (DRP) , 2006 .

[60]  Jin-Young Park,et al.  Representation of real particles for DEM simulation using X-ray tomography , 2007 .

[61]  E. Samson,et al.  Modeling the transport of ions in unsaturated cement-based materials , 2007 .

[62]  Bhushan Lal Karihaloo,et al.  Effective conductivities of heterogeneous media containing multiple inclusions with various spatial distributions , 2006 .

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

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

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

[66]  J. Bullard,et al.  A Model Investigation of the Influence of Particle Shape on Portland Cement Hydration , 2006 .

[67]  Adnan Ibrahimbegovic,et al.  Microscale and mesoscale discrete models for dynamic fracture of structures built of brittle material , 2003 .

[68]  Guilhem Mollon,et al.  Fourier–Voronoi-based generation of realistic samples for discrete modelling of granular materials , 2012, Granular Matter.

[69]  B. Bary,et al.  Assessment of diffusive and mechanical properties of hardened cement pastes using a multi-coated sphere assemblage model , 2006 .

[70]  Xinhua Yang,et al.  Multiscale fracture simulation of three-point bending asphalt mixture beam considering material heterogeneity , 2011 .

[71]  J. D. Muñoz,et al.  Minkowski-Voronoi diagrams as a method to generate random packings of spheropolygons for the simulation of soils. , 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

[72]  Jian‐Jun Zheng,et al.  Three-Dimensional Aggregate Density in Concrete with Wall Effect , 2002 .

[73]  G. Milton,et al.  An effective medium theory for multi-phase matrix-based dielectric composites with randomly oriented ellipsoidal inclusions , 2011 .