The initial decomposition and metallization of α-1,3,5-trinitroperhydro-1,3,5-triazine(RDX)under different shock wave velocities have been studied based on first principles molecular dynamics simulati
HMX is known to exist in four solid phases(α-,β-,γ-,and δ-HMX).These polymorphic phases possess different molecular conformations and crystal packing structures.
By Molecular Dynamic Simulation,we conducted a thorough study on a novel cocrystal explosive 1∶1 CL-20: TNT and gained insight into the interaction-structure–property interrelationship.
Polymeric nitrogen has been attracting increasing attention due to its potential applications as a HEDM for energy storage systems,propellants,and explosives,and they decompose into pure inert gas N2
The impact of 1-D and 3-D compression and decompression on phase transformations in nano and polycryslalline ZnO polymorphs has been investigated up to 8 GPa and 1500 K.The microstructure and phase co
Pressure-induced photoluminescence was observed in both powder and single MgO crystals,which is different from traditional luminescence originating from oxygen-ion vacancies[1] or doping ions like Cr3
Graphyne(GY),which was first proposed in 1987 by Baughman1,refers to a family of two-dimensional(2D)carbon networks composed of sp-and sp2-hybridized carbon atoms.
As the ultimate aims of researches on one-dimensional(1D)nano materials,quasi-one-dimensional atomic/molecular chains are expected to exhibit many interesting properties.