The continuous chemical reaction threshold bond for determining the triggering of energetic materials under pressure.

This article tries to find a method to judge the trigger bond from the sensitivity of energy materials (EMs). The results show that the bandgap judgment cannot be used to determine the trigger bond. At the same time, we find that the rate and magnitude of energy changes can be used to identify the trigger bond of EMs. Finally, we discuss the so-called trigger bond. It is not necessarily the first break, but it is the most critical key to cause the initiation of EMs. We name it as the continuous chemical reaction threshold bond. • The validity of band gap criterion for judging the trigger bond of EMs was explored. • Based on stress theory, a method to judge the chemical reaction threshold bond of EMs was proposed. • The study of chemical bonds in EMs is helpful to the study of the initial reaction mechanism. • The most important significance is to save computing costs. [ABSTRACT FROM AUTHOR]