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Institute
BTU
The electronic structure of gas-phase H2O and D2O molecules has been investigated using resonant
inelastic soft x-ray scattering (RIXS). We observe spectator shifts for all valence orbitals when
exciting into the lowest three absorption resonances. Strong changes of the relative valence orbital
emission intensities are found when exciting into the different absorption resonances, which can be
related to the angular anisotropy of the RIXS process. Furthermore, excitation into the 4a1 resonance
leads to nuclear dynamics on the time scale of the RIXS process; we find evidence for vibrational
coupling and molecular dissociation in both, the spectator and the participant emission.
Resonant inelastic soft x-ray scattering (RIXS) was used to study the electronic structure of solid
cysteine films. A RIXS map approach, i.e., plotting the x-ray emission intensity as a function of
excitation and emission energy, allows us to separate the contributions of the three chemically nonequivalent
carbon atoms in cysteine. In particular, we can identify orbitals localized near the photoexcited
atoms, as well as orbitals that are delocalized over the entire molecule.
Investigation of the ionic hydration in aqueous salt solutions by soft x‑ray emission spectroscopy
(2016)
Site- and Symmetry-resolved Resonant X-ray Emission Study of a Highly-ordered PTCDA Thin Film
(2016)
Creating very detailed finite element models of aero-engines is a very time-consuming process especially if structured meshes have to be generated for thousands of parts. Isogeometric analysis offers the possibility of an accelerated model creation process while achieving higher accuracy by using the non-uniform rational B-spline functions used for the geometry description also as basis functions for the finite element analysis. In this case, no meshing is necessary anymore. Here, we demonstrate this process by applying a self-developed tool which creates a geometry description and a computational model of a part at the same time. By the help of this tool we build up a simplified mechanical aero-engine model, which is used for transient implicit computations simulating the acceleration process of the rotor. We discuss the results as well as the computational time of isogeometric models in comparison to classical finite element models.