Liquid diffraction pink beam corrections using a combination of MD and experimental shock data

Recent addition of laser systems to synchrotron beamlines have opened up the possibility of performing high quality diffraction experiments of shock melted liquids. For such experiments, monochromators are typically not employed to maintain high photon flux. This introduces artefacts in the diffraction data in the form of shifts in the liquid peaks to higher angles, which needs to be accounted for while performing quantitative analysis. In this contribution, we present a new methodology to correct the pink beam effects by performing a Taylor series expansion of the diffraction signal about the x-ray photon energy. The first order approximation is used to computes a quasi-monochromatic diffraction spectrum which is used to estimate liquid densities. We present the efficacy of the proposed method using both simulated diffraction data derived from Ab Initio Molecular dynamics and experimental data recorded at the Dynamic Compression Sector for Tin. Our results show that the proposed methodology can accurately estimate mean densities (< 1% error) for the simulated data and gives reasonable estimates of density for experimental data.