Molecular dynamics simulations of complex-shaped particles using Voronoi-based spheropolyhedra

Galindo-Torres, S. A. and Pedroso, D. M. (2010) Molecular dynamics simulations of complex-shaped particles using Voronoi-based spheropolyhedra. Physical Review E, 81 6: 061303-1-061303-9. doi:10.1103/PhysRevE.81.061303

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Author Galindo-Torres, S. A.
Pedroso, D. M.
Title Molecular dynamics simulations of complex-shaped particles using Voronoi-based spheropolyhedra
Journal name Physical Review E   Check publisher's open access policy
ISSN 1539-3755
1550-2376
Publication date 2010-06
Sub-type Article (original research)
DOI 10.1103/PhysRevE.81.061303
Open Access Status File (Publisher version)
Volume 81
Issue 6
Start page 061303-1
End page 061303-9
Total pages 9
Place of publication College Park, MD, United States
Publisher American Physical Society
Collection year 2011
Language eng
Subject C1
861099 Ceramics, Glass and Industrial Mineral Products not elsewhere classified
090503 Construction Materials
Abstract The spheropolyhedra method has been used earlier for efficient and accurate molecular dynamics simulations of granular matter with particles with complex shapes. Also the Voronoi construction is a tool of proved utility for the virtual representation of powders and grains. In this paper a technique that combines the two methods and provides a framework for the study of the three-dimensional mechanical behavior of granular matter is proposed. In order to understand the capabilities of the new method, a number of computer simulations of the cubic (true) triaxial test, measuring the mechanical behavior of packing of particles, is carried out. Results from tests with packing of complex-shaped particles represented by "Voronoi particles" are compared with corresponding results of packing of spherical particles. Features such as the saturation value for the macroscopically observed coefficient of friction, as reported in the literature, are compared for the packing of spheres and for the packing of "Voronoi particles," showing that the difference in shape strongly affects the results. The proposed technique and simulation results can be used to help understand how the individual shape of grains affects the macroscopic mechanical behavior of granular matter such as cohesionless soils. © 2010 The American Physical Society
Keyword Computer simulation
Dynamics
Mechanical engineering
Molecular dynamics
Voronoi construction
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Article number 061303

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Civil Engineering Publications
Official 2011 Collection
 
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Created: Sun, 27 Jun 2010, 00:02:44 EST