Figure 6
From: Ab initio molecular dynamic study of solid-state transitions of ammonium nitrate
Raman spectra and calculated enthalpies per AN unit as the function of pressure.
(a) Raman spectra of our simulated AN-IV and AN-IV’ phase compared with experimental results of AN-IV’ at 21.7 GPa. The Raman spectra of experiment, simulated AN-IV’ and AN-IV phase are denoted as red, blue and black lines, respectively. The black arrows show the peaks which signify the phase IV-IV’ transition in experiment. The blue arrows show the simulated peaks correspond to the experiment results. (b) Calculated enthalpy difference curves of AN-IV’ and AN-X relative to AN-IV as a function of pressure. The inset: the enthalpy difference of AN-IV’ and AN-X as a function of pressure.
