[HTML][HTML] A review of small angle scattering, neutron reflection, and neutron diffraction techniques for microstructural characterization of polymer-bonded explosives

L Bai, X Li, H Li, G Sun, D Liu, M Peng, Z Zhu… - Energetic Materials …, 2023 - Elsevier
To better understand the structure-activity relationship and enhance the overall performance
of polymer-bonded explosives (PBXs), the neutron and X-ray scattering techniques, which …

[HTML][HTML] Pressure-induced phase transition in 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB)

BA Steele, SM Clarke, MP Kroonblawd… - Applied Physics …, 2019 - pubs.aip.org
Determining the unreacted equation of state of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB)
is challenging because it exhibits low crystal symmetry and low X-ray scattering strength …

Irreversible deformation mechanisms for 1, 3, 5-triamino-2, 4, 6-trinitrobenzene single crystal through molecular dynamics simulations

P Lafourcade, C Denoual, JB Maillet - The Journal of Physical …, 2018 - ACS Publications
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 …

Evaluating shock sensitivity and decomposition of energetic materials by ReaxFF molecular dynamics

J Jiang, QY Xia, SY Xu, FQ Zhao, XH Ju - Journal of Materials Science, 2024 - Springer
Amorphous models of locally ordered molecular packing were constructed to replace
crystals and predict the shock sensibility and safety of energetic materials (EMs) using …

New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

MP Kroonblawd, P Lafourcade, LE Fried… - Journal of Chemical & …, 2024 - ACS Publications
Insensitive high explosives based on TATB (1, 3, 5-triamino-2, 4, 6-trinitrobenzene) are
needed in applications when safety is of paramount importance, but the basic material …

High-pressure equation of state of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene: Insights into the monoclinic phase transition, hydrogen bonding, and anharmonicity

BA Steele, E Stavrou, VB Prakapenka… - The Journal of …, 2020 - ACS Publications
The high-pressure equation of state (EOS) of energetic materials (EMs) is important for
continuum and mesoscale models of detonation performance and initiation safety. Obtaining …

[HTML][HTML] Shock Hugoniot measurements of single-crystal 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) compressed to 83 GPa

MC Marshall, A Fernandez-Pañella, TW Myers… - Journal of Applied …, 2020 - pubs.aip.org
We present laser-driven shock Hugoniot measurements of single-crystal (SC) 1, 3, 5-
triamino-2, 4, 6-trinitrobenzene (TATB) between 15 and 83 GPa, spanning pressures below …

Anisotropic strength behavior of single-crystal TATB

MP Kroonblawd, BA Steele, MD Nelms… - … and Simulation in …, 2021 - iopscience.iop.org
High-rate strength behavior plays an important role in the shock initiation of high explosives,
with plastic deformation serving to localize heat into hot spots and as a mechanochemical …

Molecular dynamics informed calibration of crystal plasticity critical shear stresses for the mesoscopic mechanical modeling of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene …

P Lafourcade, JB Maillet, N Bruzy… - Journal of Applied …, 2024 - pubs.aip.org
An extension of a constitutive law for 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) is
proposed with a focus on the calibration of a crystal plasticity law. TATB, a highly anisotropic …

Mesoscopic constitutive law with nonlinear elasticity and phase transformation for the twinning-buckling of TATB under dynamic loading

P Lafourcade, C Denoual, JB Maillet - Physical Review Materials, 2019 - APS
A mesoscopic constitutive law for 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB), an ultra-
anisotropic energetic molecular crystal, is proposed and validated on molecular dynamics …