Crystallographic, phase diagram, X-ray diffraction and mechanical property aspects of energetic materials are described in relation, first, to the properties of individual crystals as employed in composite explosive material formulations and then, second, to initiation of chemical decomposition by imposed mechanical forces and deformations. The mechanically induced decomposition properties are tied to the special character of dislocations in the molecularly bonded energetic crystal structures formed by individual covalently bonded molecules. Microindentation fracture mechanics, hardness stress-strain and drop weight impact measurements on energetic crystals are assessed. Of particular interest are the material granular compaction properties associated with a mechanically induced deflagration to detonation transition (DDT) behaviour. Shock induced initiations of detonation involve experimental and theoretical model considerations at nanometric dimensions. The total results point to improved mechanical insensitivities and higher energy release rates at smaller particle dimensions.