Triclinic unit cell of TATB at ambient conditions.
Isothermal hydrostatic EOS of TATB, the range of compressions .
Lattice parameters of TATB under hydrostatic compression.
Principal stresses as a function of . The pressure from the hydrostatic-compression calculations is shown for comparison.
TATB molecule compressed up to in direction normal to (110) plane.
Change in energy per atom as a function of compression.
Band gap as a function of compression.
Shear stresses as a function of .
The crystal structure of TATB at zero-pressure.
Bulk modulus and its pressure derivative for TATB. All values reported were determined by fitting data to the Birch–Murnaghan EOS up to 8 GPa.
Article metrics loading...
Full text loading...