Investigation of hot spot characteristics in energetic crystals

The model hot spot characteristics of energetic crystals, particularly, of cyclotrimethylenetrinitramine (RDX) and related materials, are described within a molecule-to-crystal–lattice-to-dislocation defect framework, as developed under the guidance of R.S. Miller. The purpose was to trace the dimensional scale at which controlling influences occurred for energetic material responses to imposed mechanical forces and/or deformations. Important consequences of the work include: (1) explanation of a substantial energetic crystal lattice resistance to shear-type deformations; (2) molecular dynamics modeling demonstration of significant heating associated with defect relaxations; and (3) dislocation pile-up prediction of a greater drop-weight impact height requirement for initiation of smaller crystals.