Pressure, directional dependent mechanical anisotropies and phase transition studies of β-5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) and 2,4,6-triamino-1,3,5-trinitrobenzene (TATB)
Abstract:This work highlights the effect of pressure ranging from 0-9GPa on structural, directional dependent mechanical properties and unravel the previously unknown phase transitions of two important high energy molecular solids namely monoclinic-β-NTO (Nitrotriazole) and TATB (2,4,6-triamino-1,3,5- trinitrobenzene). The projected augmented plane wave method with generalized gradient approximation (GGA) Perdew-Burke-Ernzerhof(PBE) functional with the D2 van der Waals (vdW) corrections method of Grimme is used to repro… Show more
“…Unfortunately, β-NTO can only maintain its properties for 6 months, and after that period, it will transform back into α-NTO. 7 At present, there is no effective way to maintain its long-term stability, and its instability obstructs the practical application. These factors hinder the storage performance and safety of NTO as an energetic material.…”
3-nitro-1,2,4-triazole-5-one (NTO) has obtained wide attention and application for excellent detonation performance and low sensitivity. A new crystal form of NTO was prepared via the solvent evaporation method, which was...
“…Unfortunately, β-NTO can only maintain its properties for 6 months, and after that period, it will transform back into α-NTO. 7 At present, there is no effective way to maintain its long-term stability, and its instability obstructs the practical application. These factors hinder the storage performance and safety of NTO as an energetic material.…”
3-nitro-1,2,4-triazole-5-one (NTO) has obtained wide attention and application for excellent detonation performance and low sensitivity. A new crystal form of NTO was prepared via the solvent evaporation method, which was...
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