AbstractIn this paper, numerical simulation results of isotropic compression and triaxial static shear tests under drained and undrained stress paths on polydisperse assembly of loose and dense spheres are presented. An examination of the micromechanical behaviour of loose and dense assemblies under drained and undrained conditions, considering the particulate nature of granular materials, has been carried out to explain micromechanically the granular material behaviour at the grain scale level. The numerical simulations have been carried out using a discrete element model (DEM) which considers a 1000 sphere particle polydisperse assembly with periodic space representing an infinite three‐dimensional space. In this paper, we present how DEM simulations can contribute to developments in constitutive modelling of granular materials through micromechanical approach using information on microstructure evolution. A series of numerical tests are performed using DEM on 3‐D assemblages of spheres to study the evolution of the internal variables such as average co‐ordination number and induced anisotropy during deformation along with the macroscopic behaviour of the assemblage in drained and undrained shear tests. In a qualitative sense, the macroscopic stress–strain results and stress path evolution in these simulations using 3‐D assemblies demonstrate that DEM simulations are capable of reproducing realistic compression and shear behaviour of granular materials. Copyright © 2002 John Wiley & Sons, Ltd.