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Kaan Atak

Publications and source records attributed to Kaan Atak.

3 recordsLinked to original sources

Marking strategies for adaptive mesh refinement: An efficiency-focused benchmark study for steady solid and fluid mechanics problems

Adaptive mesh refinement (AMR) is indispensable for efficient finite element analyses. However, its performance depends not only on the refinement itself but also on strategy to mark elements for refinement and the way it is tuned. This work compares classical marking methods (maximum, D\"orfler bulk-chasing, quantile) with non-classical, statistically based approaches (z-score, Isolation Forest), all driven by the residual-based Kelly error estimator and tested on steady solid and fluid mechanics problems. The study finds quantile and z-score markings to be the most robust, D\"orfler effective for large bulk parameters, and maximum marking sensitive to irregular fields. Isolation Forest can rival top classical methods with a generous contamination level but may fail under aggressive settings. These results offer practical guidance for selecting marking strategies that balance refinement aggressiveness and computational cost in adaptive FEM workflows.

cs.CE

Electron Dynamics at High-Energy Densities in Nickel from Non-linear Resonant X-ray Absorption Spectra

The pulse intensity from X-ray free-electron lasers (FELs) can create extreme excitation densities in solids, entering the regime of non-linear X-ray-matter interactions. We show L3-edge absorption spectra of metallic nickel thin films with fluences entering a regime where several X-ray photons are incident per absorption cross-section. Main features of the observed non-linear spectral changes are described with a predictive rate model for electron population dynamics during the pulse, utilizing a fixed density of states and tabulated ground-state properties.

cond-mat.mtrl-sci

Chemical Bonding in Aqueous Ferrocyanide: Experimental and Theoretical X-ray Spectroscopic Study

Resonant inelastic X-ray scattering (RIXS) and X-ray absorption (XA) experiments at the iron L- and nitrogen K-edge are combined with high-level first principles restricted active space self-consistent field (RASSCF) calculations for a systematic investigation of the nature of the chemical bond in potassium ferrocyanide in aqueous solution. The atom- and site-specific RIXS excitations allow for direct observation of ligand-to-metal (Fe L-edge) and metal-to-ligand (N K-edge) charge transfer bands and thereby evidence for strong σ-donation and π-back-donation. The effects are identified by comparing experimental and simulated spectra related to both the unoccupied and occupied molecular orbitals in solution.

physics.chem-ph