Pressure dependent Raman spectra used to validate DFT EOS of hexanitrostilbene (HNS)

Abstract

Abstract. Due to its thermal stability and low vapor pressure, Hexanitrostilbene (HNS) is often used in high-temperature or vacuum applications as a detonator explosive or in mild detonating fuse. Toward improving the accuracy of the equation of state used in hydrodynamic simulations of the performance of HNS, we have measured the spectra of this material under static pressure in a diamond anvil cell. Density functional theory calculations were used to simulate the pressure dependence of the Raman spectra along the Hugoniot and 300K isotherm for comparison and to aid in interpreting the data. We discuss changes in vibrational signatures of HNS under pressure, comparison with simulated spectra, and using this data as a basis for understanding future pulsed Raman measurements on dynamically compressed HNS samples.