Parallel discrete element simulation of poly-dispersed granular material

The paper presents parallel 3D DEM simulation of poly-dispersed material described by the normal size distribution. Static domain decomposition and message passing inter-processor communication have been implemented in the DEM code. A novel algorithm for moving particles that exchange processors has been incorporated in the domain decomposition framework. Parallel performance of the developed algorithm and software has been investigated by a series of benchmark tests conducting tri-axial compaction of material with different numbers of particles, heterogeneity ratios and compaction durations. The speed-up equal to 8.81 has been obtained on 10 processors of the distributed memory PC cluster. It has been shown that a drastic increase of computational expenses of simulation for the poly-dispersed material in terms of CPU time is associated with the increase of its heterogeneity. A contribution of the temporal evolution of microscopic behaviour has also been illustrated.

[1]  T. Aste,et al.  Local and global relations between the number of contacts and density in monodisperse sphere packs , 2006, 0709.3141.

[2]  Wolfram Volk,et al.  From discrete element simulations to a continuum model , 2000 .

[3]  Eric Perkins,et al.  A fast contact detection algorithm insensitive to object sizes , 2001 .

[4]  Bernhard Peters,et al.  An approach to simulate the motion of spherical and non-spherical fuel particles in combustion chambers , 2001 .

[5]  Oscar Plata,et al.  On the parallelization of molecular dynamics codes , 2002 .

[6]  Bruce Hendrickson,et al.  Parallel strategies for crash and impact simulations , 1998 .

[7]  F. Donze,et al.  Discrete element modelling of concrete submitted to dynamic loading at high strain rates , 2004 .

[8]  Rimantas Kačianauskas,et al.  COMPACTING OF PARTICLES FOR BIAXIAL COMPRESSION TEST BY THE DISCRETE ELEMENT METHOD , 2006 .

[9]  Seung Jo Kim,et al.  Parallel performance of large scale impact simulations on Linux cluster super computer , 2006 .

[10]  Kurt Kremer,et al.  Vectorized link cell Fortran code for molecular dynamics simulations for a large number of particles , 1989 .

[11]  Peter S. Pacheco Parallel programming with MPI , 1996 .

[12]  Algirdas Maknickas,et al.  Parallel DEM Software for Simulation of Granular Media , 2006, Informatica.

[13]  Gui-Rong Liu,et al.  Improved neighbor list algorithm in molecular simulations using cell decomposition and data sorting method , 2004, Comput. Phys. Commun..

[14]  Rimantas Kačianauskas,et al.  Discrete element method and its application to the analysis of penetration into granular media , 2004 .

[15]  J. Banavar,et al.  Computer Simulation of Liquids , 1988 .

[16]  Makoto Haraguchi,et al.  Parallel molecular dynamics simulation of a protein , 2001, Parallel Comput..

[17]  G. A. Kohring Dynamical Simulations of Granular Flows on Multi-Processor Computers , 1996 .

[18]  Ted Belytschko,et al.  Parallel processing for a discrete element program , 1999 .

[19]  Wilson C. K. Poon,et al.  Phase behavior and crystallization kinetics of PHSA-coated PMMA colloids , 2003 .

[20]  Bruce Hendrickson,et al.  Dynamic load balancing in computational mechanics , 2000 .

[21]  Steve Plimpton,et al.  Fast parallel algorithms for short-range molecular dynamics , 1993 .

[22]  Christophe L. Martin,et al.  Study of particle rearrangement during powder compaction by the Discrete Element Method , 2003 .

[23]  Steven F. Quigley,et al.  Acceleration of the Discrete Element Method (DEM) on a reconfigurable co-processor , 2004 .

[24]  Pierre Alart,et al.  A parallel version of the non smooth contact dynamics algorithm applied to the simulation of granular media , 2004 .

[25]  Antonio Munjiza,et al.  Numerical comparison of some explicit time integration schemes used in DEM, FEM/DEM and molecular dynamics , 2004 .

[26]  James W. Landry,et al.  Discrete element simulations of stress distributions in silos: crossover from two to three dimensions , 2003 .

[27]  Antoinette Tordesillas,et al.  Development of micromechanical models for participate media: The role of mesoscale kinematics and non-affine motion in the transition from particle to bulk mechanical properties , 2006 .

[28]  Algirdas Maknickas,et al.  Investigation of performance of programming approaches and languages used for numerical simulation of granular material by the discrete element method , 2006, Comput. Phys. Commun..

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

[30]  S. Miller,et al.  Event-driven molecular dynamics in parallel , 2004 .

[31]  Gary S Grest,et al.  Confined granular packings: structure, stress, and forces. , 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.

[32]  Peter Eberhard,et al.  Parallel Load Balanced Particle Simulation with Hierarchical Particle Grouping Strategies , 2007 .

[33]  Rimantas Kačianauskas,et al.  DEM analysis of granular flow in pyramidal hoppers , 2006 .

[34]  Alexander Schinner,et al.  Fast algorithms for the simulation of polygonal particles , 1999 .

[35]  Antonios Zavaliangos,et al.  Simulation of multi-axial compaction of granular media from loose to high relative densities , 2005 .

[36]  Serge Leroueil,et al.  An efficient technique for generating homogeneous specimens for DEM studies , 2003 .

[37]  Tomaso Aste,et al.  Variations around disordered close packing , 2005 .

[38]  P A Cundall,et al.  RATIONAL DESIGN OF TUNNEL SUPPORTS: A COMPUTER MODEL FOR ROCK MASS BEHAVIOUR USING INTERACTIVE GRAPHICS FOR THE INPUT AND OUTPUT OF GEOMETRICAL DATA , 1974 .

[39]  Jürgen Tomas,et al.  Micromechanics of Particle Adhesion , 2007 .

[40]  Stefan Luding,et al.  From microscopic simulations to macroscopic material behavior , 2002 .

[41]  David R. Owen,et al.  Parallelised finite/discrete element simulation of multi‐fracturing solids and discrete systems , 2001 .

[42]  Barry F. Smith,et al.  Domain Decomposition: Parallel Multilevel Methods for Elliptic Partial Differential Equations , 1996 .

[43]  Asad I. Khan,et al.  Parallel Finite Element Computations , 1999 .

[44]  Martin Schoen,et al.  Structure of a simple molecular dynamics FORTRAN program optimized for CRAY vector processing computers , 1989 .

[45]  B.P.B. Hoomans,et al.  Granular dynamics simulation of segregation phenomena in bubbling gas-fluidised beds , 2000 .

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

[47]  Alessandro Curioni,et al.  Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD code , 2005, Parallel Comput..

[48]  Rajesh Ransing,et al.  Numerical comparison of a deformable discrete element model and an equivalent continuum analysis for the compaction of ductile porous material , 2001 .

[49]  Roger I. Tanner,et al.  A parallel algorithm for molecular dynamics simulation of branched molecules , 2003 .

[50]  Steven J. Plimpton,et al.  Parallel Many-Body Simulations without All-to-All Communication , 1995, J. Parallel Distributed Comput..