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

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/cm³. 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.