Interfaces between geo-materials and soils play a critical role in a wide spectrum of geotechnical structures and soil/site characterization techniques in geotechnical engineering. Consequently, understanding the mechanics of interface shear behaviour at different scales can benefit both soil characterization and the design of geotechnical systems. This paper presents a series of numerical simulations that utilize the 3D discrete element modelling (DEM) technique and compares the results with those obtained from laboratory counterpart tests under axial and torsional axisymmetric interface shear. The difference observed in macro- and meso-scale responses under these loading conditions, such as shear strength, volumetric change, and shear zone characteristics are evaluated. In addition, responses at microscale including particle displacement trajectory, particles rotation, and local void ratio evolution are assessed allowing for links to the results obtained at larger spatial scales. These 3D numerical model studies expand the micromechanical processes under different shearing conditions previously presented by the authors from 2D to 3D space.