Figure 4
From: Computing inelastic neutron scattering spectra from molecular dynamics trajectories
Comparison between MD simulated spectra for crystalline and amorphous P3HT materials. (a) Comparison between the MD simulated spectra of the crystalline and amorphous phases. (b) Comparison between experimental INS spectrum for regiorandom (RRa) P3HT, and the amorphous MD simulated spectrum. (c) Radial distribution functions comparing crystalline and amorphous regions of P3HT; the inset is the same plot expanded at low probability densities to demonstrate the differences between the two distributions. The MD spectrum was convolved by a Gaussian of width 0.01E, where E is the energy transfer.
