Capping mechanisms during the compaction of pharmaceutical powders were explored. Both experimental and numerical investigations were performed. For the experimental study, an X-ray Computed Microtomography system has also used to examine the internal failure patterns of the tablets produced using a compaction simulator. Finite element (FE) methods have also been used to analyse the powder compaction. The experimental and numerical studies have shown that the shear bands developed at the early stage of unloading appear to be responsible for the occurrence of capping. It has also been found that the capping patterns depend on the compact shape.