Weihua Zhu

TL;DR: The results show that the -CN or -N3 group plays a very important role in increasing the HOF values of the 1,2,4,5-tetrazine derivatives, and three derivatives may be regarded as potential candidates of high-energy density materials (HEDMs).

TL;DR: The calculated detonation properties indicate that incorporating the -NO(2, -NF(2), -ONO(2) group into the TETZ or TTZ ring is very helpful for enhancing its detonation performance.

TL;DR: In this article, a new strategy to design a novel high-energy low-sensitivity explosive, 1-amino-5-nitrotetrazole-3Noxide (ANTZO), with outstanding overall performance by combining oxygen balance equal to zero, a combination of nitro and amino groups, and Noxide in one molecule.

TL;DR: The results indicate that the mechanical properties of RDX can be effectively improved by blending with a small amount of fluorine polymers and the overall effect of fluoride polymers on the Mechanical properties of the PBXs along three crystalline surfaces is (001)>(010) approximately (100) and PVDF is regarded to best improve the mechanical Properties of thePBXs on three surfaces.

TL;DR: Five compounds may be considered as the potential candidates of high-energy density materials (HEDMs) and an analysis of the bond dissociation energies for several relatively weak bonds suggests that the N-O bond in the ring is the weakest one and the ring cleavage is possible to happen in thermal decomposition.