Correlation of the Vibrations of Molecules and Stability in Energetic Materials

Abstract : The paper represents implementation and refinement of the capabilities required to characterize fundamental processes in energetic materials. In particular, attention is focused on the correlation of interatomic forces and physical and chemical instability as manifested by changes in the dynamics of molecular groups in ammonium nitrate, ammonium perchlorate and the metal-azide salts. Results for the compounds are preceded by a discussion of experimental techniques including that of quasi-elastic neutron scattering which has not previously been employed for energetic materials. A brief introduction to the theory of lattice or molecular dynamics is also presented.