# FS-CFEL-3

 2018-10-1109:55 [PUBDB-2018-03750] Journal Article et al Relativistic and resonant effects in the ionization of heavy atoms by ultra-intense hard X-rays Nature Communications 9(1), 4200 (2018) [10.1038/s41467-018-06745-6]   An accurate description of the interaction of intense hard X-ray pulses with heavy atoms,which is crucial for many applications of free-electron lasers, represents a hitherto unresolvedchallenge for theory because of the enormous number of electronic configurations andrelativistic effects, which need to be taken into account. Here we report results on multipleionization of xenon atoms by ultra-intense (about 1019W/cm2) femtosecond X-ray pulses atphoton energies from 5.5 to 8.3 keV and present a theoretical model capable of reproducingthe experimental data in the entire energy range. [...] OpenAccess: PDF PDF (PDFA); 2018-09-2812:02 [PUBDB-2018-03674] Journal Article Welsch, R. Low-Temperature Thermal Rate Constants for the Water Formation Reaction $\mathrm{H_{2}}+OH$ from Rigorous Quantum Dynamics Calculations Angewandte Chemie / International edition 57(40), 13150 - 13153 (2018) [10.1002/anie.201807666]   Thermal rate constants for the prototypical water‐forming reaction $\mathrm{H_{2}}+OH \to H+H_{2}O$ were obtained for temperatures between 150 K and 600 K by rigorous quantum dynamics calculations including all degrees of freedom. Results are reported for a recent, highly accurate neural network potential (NN1) and compared to results obtained on a previous, semi‐empirical potential (SE) [...] Restricted: PDF PDF (PDFA); 2018-09-2811:58 [PUBDB-2018-03673] Journal Article et al Modeling of XUV-induced damage in Ru films: the role of model parameters Journal of the Optical Society of America / B 35(10), B43 - B53 (2018) [10.1364/JOSAB.35.000B43]   We perform a computational study of damage formation in extreme ultraviolet (XUV)-irradiated ruthenium thin films by means of combining the Monte Carlo approach with the two-temperature model. The model predicts that the damage formation is most affected by ultrafast heating of the lattice by hot electrons, and is not very sensitive to the initial stage of the material excitation [...] OpenAccess: PDF PDF (PDFA); 2018-09-2811:53 [PUBDB-2018-03672] Journal Article et al Mechanism of single-shot damage of Ru thin films irradiated by femtosecond extreme UV free-electron laser Optics express 26(15), 19665 - 19685 (2018) [10.1364/OE.26.019665]   Ruthenium is a perspective material to be used for XUV mirrors at free-electron laser facilities. Yet, it is still poorly studied in the context of ultrafast laser-matter interaction [...] OpenAccess: PDF PDF (PDFA); 2018-09-2513:35 [PUBDB-2018-03578] Journal Article et al Towards the theoretical limitations of X-ray nanocrystallography at high intensity: the validity of the effective-form-factor description IUCrJ 5(6), 00 (2018) [10.1107/S2052252518011442]   Restricted: PDF PDF (PDFA); 2018-09-1712:23 [PUBDB-2018-03517] Journal Article et al Hard X-ray induced fast secondary electron cascading processes in solids Applied physics letters 113(11), 114102 (2018) [10.1063/1.5046070]   Recent studies confirmed that the materials used in the extreme UV and soft X-ray regime for precise characterization of intense free-electron laser pulses (e.g., Si$_3$N$_4$) do not work efficiently in the hard X-ray regime, which is due to the fact that the impact of a hard X-ray photon is followed by a series of electron cascading processes. Following theoretical indication, we show that this limitation can be circumvented and the cascading time can be significantly reduced if the X-ray photon energy is double the ionization energy [...] Restricted: PDF PDF (PDFA); 2018-08-2709:42 [PUBDB-2018-03176] Journal Article et al Various damage mechanisms in carbon and silicon materials under femtosecond X-ray irradiation 4Open 1, 3 (2018) [10.1051/fopen/2018003]   We review the results of our research on damage mechanisms in materials irradiated with femtosecond free-electron-laser (FEL) pulses. They were obtained using our hybrid approach, X-ray-induced thermal and non-thermal transitions (XTANT) [...] OpenAccess: PDF PDF (PDFA); 2018-08-1710:46 [PUBDB-2018-02994] Journal Article et al Ab initio calculation of electron-impact-ionization cross sections for ions in exotic electron configurations Physical review / A 98(2), 022701 (2018) [10.1103/PhysRevA.98.022701]   Atomic or molecular assemblies irradiated with intense hard x-ray pulses, such as those emitted from x-ray free-electron lasers (XFELs), are subject to a strong ionization, which also releases electrons from atomic inner shells. The resulting core-hole states relax via various channels, including fluorescence and Auger decay [...] OpenAccess: PDF PDF (PDFA); 2018-08-0718:46 [PUBDB-2018-02847] Dissertation / PhD Thesis Santra, R. Transient optical properties as a signature of structural changes within FEL irradiated solids 137 pp. (2017) [10.3204/PUBDB-2018-02847] = Dissertation, University of Hamburg, 2017   OpenAccess: PDF PDF (PDFA); 2018-06-1411:07 [PUBDB-2018-02269] Journal Article et al Prospects of Using High-Intensity THz Pulses To Induce Ultrafast Temperature-Jumps in Liquid Water The journal of physical chemistry / A 122(23), 5211 - 5222 (2018) [10.1021/acs.jpca.8b00828]   Ultrashort, high-intensity terahertz (THz) pulses, e.g., generated at free-electron laser facilities, allow for direct investigation as well as the driving of intermolecular modes in liquids like water and thus will deepen our understanding of the hydrogen bonding network. In this work, the temperature-jump (T-jump) of water induced by THz radiation is simulated for ten different THz frequencies in the range from 3 to 30 THz and five different pulse intensities in the range from 1 × 10$^{11}$ to 5 × 10$^{12}$ W/cm$^{2}$ employing both ab initio molecular dynamics (AIMD) and force field molecular dynamics (FFMD) approaches. [...] Restricted: PDF PDF (PDFA);