In single particle coherent x-ray diffraction imaging experiments, performed at x-ray free-electron lasers (XFELs), samples are exposed to intense x-ray pulses to obtain single-shot diffraction patterns. The high intensity induces electronic dynamics
on the femtosecond time scale in the system, which can reduce the contrast of the obtained diffraction patterns and adds an isotropic background. We quantify the degradation of the diffraction pattern from ultrafast electronic damage by performing simulations on a biological sample exposed to x-ray pulses with different parameters. We find that the contrast is substantially reduced and the background is considerably strong only if almost all electrons are removed from their parent atoms. This happens at fluences of at least one order of magnitude larger than provided at currently available XFEL sources.
Angular x-ray cross-correlation analysis (XCCA) is an approach to study the structure of disordered systems using the results of coherent x-ray scattering experiments. Here, we present the results of simulations that validate our theoretical findings
for XCCA obtained in a previous paper [M. Altarelli et al., Phys. Rev. B 82, 104207 (2010)]. We consider as a model two-dimensional (2D) disordered systems composed of non-interacting colloidal clusters with fivefold symmetry and with orientational and positional disorder. We simulate a coherent x-ray scattering in the far field from such disordered systems and perform the angular cross-correlation analysis of calculated diffraction data. The results of our simulations show the relation between the Fourier series representation of the cross-correlation functions (CCFs) and different types of correlations in disordered systems. The dependence of structural information extracted by XCCA on the density of disordered systems and the degree of orientational disorder of clusters is investigated. The statistical nature of the fluctuations of the CCFs in the model `single-shot experiments is demonstrated and the potential of extracting structural information from the analysis of CCFs averaged over a set of diffraction patterns is discussed. We also demonstrate the effect of partial coherence of x-rays on the results of XCCA.
We investigate the rates for multielectron recombination within a dense plasma environment in local thermodynamic equilibrium (LTE). We find that these multielectron recombination rates can be high within dense plasmas, and they should be treated in
the simulations of the plasmas created by intense radiation, in particular for plasmas created by intense VUV radiation from free-electron-laser (FEL) or for modelling the inertial confinement fusion (ICF) plasmas.
In this paper we estimate the total cross sections for field stimulated photoemissions and photoabsorptions by quasi-free electrons within a non-equilibrium plasma evolving from the strong coupling to the weak coupling regime. Such transition may occ
ur within laser-created plasmas, when the initially created plasma is cold but the heating of the plasma by the laser field is efficient. In particular, such a transition may occur within plasmas created by intense VUV radiation from a FEL as indicated by the results of the first experiments performed at the FLASH facility at DESY. In order to estimate the inverse bremsstrahlung cross sections, we use point-like and effective atomic potentials. For ions modelled as point-like charges, the total cross sections are strongly affected by the changing plasma environment. The maximal change of the cross sections may be of the order of 60 at the change of the plasma parameters (inverse Debye length, kappa, and the electron density, rho_e), in the range: kappa=0-3 A^{-1} and rho_e=0.01-1 A^{-1}. These ranges correspond to the physical conditions within the plasmas created during the first cluster experiments performed at the FLASH facility at DESY. In contrast, for the effective atomic potentials the total cross sections for photoemission and photoabsorption change only by a factor of 7 at most at the same plasma parameter range. Our results show that the inverse bremsstrahlung cross section estimated with the effective atomic potentials is not much affected by the plasma environment. This observation validates the previous estimations of the enhanced heating effect. This is important as this effect may be responsible for high energy absorption within clusters irradiated with VUV radiation.
Non-equilibrium processes following the irradiation of atomic clusters with short pulses of vacuum ultraviolet radiation are modelled using kinetic Boltzmann equations. The dependence of the ionization dynamics on the cluster size is investigated. Th
e predictions on: (i) the maximal and average ion charge created, (ii) ion charge state distribution, (iii) average energy absorbed per atom, (iv) spatial charge distribution, and (v) thermalization scales are obtained for spherical xenon clusters containing: 20, 70, 2500 and 90000 atoms. These clusters were exposed to single rectangular pulses of vacuum ultraviolet radiation of various pulse intensities, I ~ 10^{12}-10^{14} W/cm^2 and durations < 50 fs, at a fixed integrated radiation flux of F=0.4 J/cm^2. The results obtained are found to be in good agreement with the available experimental data, especially the dependence on the cluster size, if it is assumed that the ions from the positively charged outer layer of the cluster constitute the dominant contribution to the experimentally measured ion charge state distribution.
The kinetic Boltzmann equation is used to model the non-equilibrium ionization phase that initiates the evolution of atomic clusters irradiated with single pulses of intense vacuum ultraviolet radiation. The duration of the pulses is < 50 fs and thei
r intensity in the focus is < 10^{14} W/cm^2. This statistical model includes various processes contributing to the sample dynamics at this particular radiation wavelength, and is computationally efficient also for large samples. Two effects are investigated in detail: the impact of the electron heating rate and the effect of the plasma environment on the overall ionization dynamics. Results on the maximal ion charge, the average ion charge and the average energy absorbed per atom estimated with this model are compared to the experimental data obtained at the free-electron-laser facility FLASH at DESY. Our analysis confirms that the dynamics within the irradiated samples is complex, and the total ionization rate is the resultant of various processes. In particular, within the theoretical framework defined in this model the high charge states as observed in experiment cannot be obtained with the standard heating rates derived with Coulomb atomic potentials. Such high charge states can be created with the enhanced heating rates derived with the effective atomic potentials. The modification of ionization potentials by plasma environment is found to have less effect on the ionization dynamics than the electron heating rate. We believe that our results are a step towards better understanding the dynamics within the samples irradiated with intense VUV radiation.
