Synergistically enhanced safety and energy density of energetic materials via interfacial constraint

Abstract The limitations imposed by sparse interfaces constrain the achievement of both energy and high safety performance of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)–based energetic composite materials (ECMs). Herein, this study presented a constraint interface using two-dimensional energetic polymer to yield dense interfaces in LLM-105 based ECMs. Simulation first suggested an increased charge accumulation and predominant van-der-Waals forces at the dense interface of LLM-105 (denoted as hd-LLM-105), achieving tight interaction and evidently increased crystal density from 1.909 to 1.958 g/cm 3 . The decreased hot-spots against stimuli could lead to outstanding safety performances (impact energy > 80 J, friction force = 360 N) in hd-LLM-105. Besides, improved detonation velocity and pressure from calculation and measurement were disclosed in hd-LLM-105, demonstrating the positive role of the interfacial constraint. The safety and detonation performance surpasses the typical heat-resistant explosives. Besides, hd-LLM-105 possesses comparable detonation performance and excellent safety performance than that of RDX. This work demonstrates the potential of dense interface design for next-generation ECMs with simultaneously achieved high detonation and high safety.