Imaging atom-clusters by hard x-ray free electron lasers

摘要

The ingenious idea of single molecule imaging by hard x-ray Free ElectronLaser (X-FEL) pulses was recently proposed by Neutze et al.[Nature,406,752(2000)]. However, in their numerical modelling of the Coulombexplosion several interactions were neglected and no reconstruction of theatomic structure was given. In this work we carried out improved moleculardynamics calculations including all quantum processes which affect theexplosion. Based on this time evolution we generated composite elasticscattering patterns, and by using Fienup's algorithm successfully reconstructedthe original atomic structure. The critical evaluation of these results givesguidelines and sets important conditions for future experiments aiming singlemolecule structure solution.