Misconceptions and Open Issues in Energetic Materials

ABSTRACT To make the search for new energetic materials more efficient and foster progress in the development of structure–property relationships, a number of misconceptions are highlighted. They pertain to the influence on performances and sensitivities of fundamental material properties, including formation enthalpy and density and to that of molecular descriptors, such as molecular size. Regarding impact sensitivity, as measured in the drop weight impact test, ambiguities arising from the use of different experimental setups are emphasized, and consequences on the modeling of this property are illustrated. Regarding thermal stability, we highlight the significance of considering the melting point, in addition to decomposition temperature. Finally, the application of molecular modeling tools to the design of polymer‐bonded explosives is discussed.