Initial Decomposition of Condensed-Phase 1,3,5-Triamino-2,4,6-trinitrobenzene under Shock Loading
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DOI: 10.1021/acs.jpcc.6b10354
Abstract: We study the intrinsic shock decomposition mechanism of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) via quantum-based multiscale molecular dynamics methods. Some distinctive and novel insights are obtained based on our simulation results. The reaction is always initiated by hydrogen… read more here.
Keywords: triamino trinitrobenzene; initial decomposition; decomposition; shock ... See more keywords
Irreversible Deformation Mechanisms for 1,3,5-Triamino-2,4,6-Trinitrobenzene Single Crystal through Molecular Dynamics Simulations
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DOI: 10.1021/acs.jpcc.8b02983
Abstract: The plastic behavior of the insensitive energetic molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is investigated through molecular dynamics simulations. A recent method, built to fol... read more here.
Keywords: molecular dynamics; triamino trinitrobenzene; deformation mechanisms; crystal ... See more keywords
Photolysis of the Insensitive Explosive 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB)
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DOI: 10.3390/molecules27010214
Abstract: The explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is of particular interest due to its extreme insensitivity to impact, shock and heat, while providing a good detonation velocity. To determine its fate under environmental conditions, TATB powder was irradiated… read more here.
Keywords: tatb; triamino trinitrobenzene; triamino; trinitrobenzene tatb ... See more keywords