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Published in 2017 at "Journal of Physical Chemistry C"
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…
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Keywords:
triamino trinitrobenzene;
initial decomposition;
decomposition;
shock ... See more keywords
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Published in 2018 at "Journal of Physical Chemistry C"
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...
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Keywords:
molecular dynamics;
triamino trinitrobenzene;
deformation mechanisms;
crystal ... See more keywords
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Published in 2021 at "Molecules"
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…
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Keywords:
tatb;
triamino trinitrobenzene;
triamino;
trinitrobenzene tatb ... See more keywords