All‐atom molecular dynamics (MD) and Eulerian continuum simulations, performed using
the LAMMPS and SCIMITAR3D codes, respectively, were used to study thermo‐mechanical …

In this work, inspired by the strong chemical adhesion of mussels, a facile and noncovalent
in situ polymerization of dopamine approach has been employed to coat 1, 3, 5-triamino-2 …

Inspired by the strong chemical adhesion of mussels, polydopamine (PDA) was adopted for
coating the insensitive high explosive 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) via a …

All-atom molecular dynamics (MD) simulations were used to study shock wave loading in
oriented single crystals of the highly anisotropic triclinic molecular crystal 1, 3, 5-triamino-2 …

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 …

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 …

Polymer bonded explosive (PBX) belongs to energy materials, which generally consists of
explosive crystals and binder molecules crystals. Thermal conductivity of PBX is a key …

Surface-initiated melting of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB), a triclinic
molecular crystal, was investigated using molecular dynamics simulations. Simulations were …

Nanoindentation of the insensitive energetic molecular crystal 1, 3, 5-triamino-2, 4, 6-
trinitrobenzene (TATB) was studied using constant-temperature and constant-energy …

The influence of pressure on the thermodynamic, structural, and elastic properties of the 1, 3,
5-triamino-2, 4, 6-trinitrobenzene (TATB) molecular crystal at T= 0 is systematically studied …