Deformation distribution maps of β-HMX molecular crystals

β-HMX, extensively used as an energetic material, exists as monoclinic molecular crystals which exhibit highly nonlinear anisotropic mechanical behaviour. To explain the unique features of the deformation behaviour of β-HMX, we have developed the so-called 'deformation distribution maps' (DDMs) based on a single crystal plasticity model based on empirical data. These DDMs reveal that under uniaxial compression there are ten deformation fibres along which β-HMX exhibits maximum plastic deformation and six other deformation fibres along which the deformation response is mostly elastic. These DDMs are applicable to a wider class of molecular crystals for not only understanding their complex mechanical response, but also to serve as important design tools.