In this article, we review some recent studies in predicting impact sensitivity for different
classes of energetic crystals based on first-principles band gap. Based on these …

The impact sensitivity to external stimuli is a critical parameter to evaluate and design high-
performance energetic materials (EMs). Investigating factors that affect sensitivity and further …

The π-stacked interactions in some explosive crystal packing are discussed. Taking a typical
π-stacked explosive 2, 4, 6-trinitrobenzene-1, 3, 5-triamine (TATB) as a sample and using …

2, 4, 6, 8-Hexanitro-2, 4, 6, 8, 10, 12-hexaazatetracyclododecane (CL-20) is the most
powerful explosive applied, and CL-20-based energetic–energetic co-crystals are promising …

This work reports the hydrostatic compression of the perdeuterated α-form of FOX-7 using
neutron powder diffraction to follow the structural changes up to 4.58 GPa at room …

A density-functional theory study of shear related dissociation of two molecular crystals,
diamino-dinitroethylene (FOX-7) and triamino-trinitrobenzine (TATB), is presented. A …

Исследования в области математического моделирования процессов разложения
взрывчатых веществ (ВВ) в нашей стране начались в 20-30-х годах прошлого века …

In this work, we report the pressure-dependent electrical transport and structural properties
of SnSe. In our experiments an electronic transition from a semiconducting to semimetallic …

First-principles calculations were performed to investigate the structural, elastic, electronic
and sensitive properties of triclinic TATB crystal. The obtained ground state properties using …

Under ambient conditions, energetic materials may exist in one or more than one metastable
crystal structure. Under compression or when heated, the material may transform into a …