en: In the associate article to these data sets, we present an X-ray tomographic imaging method that is well suited for pulmonary disease studies in animal models, to resolve the full pathway from gas intake to gas exchange. Current state-of-the-art synchrotron-based tomographic phase-contrast imaging methods allow for three-dimensional microscopic imaging data to be acquired non-destructively in scan times of the order of seconds with good soft tissue contrast. However, when studying multi-scale hierarchically structured objects, such as the mammalian lung, the overall sample size typically exceeds the field of view illuminated by the X-rays in a single scan, and the necessity for achieving a high spatial resolution conflicts with the need to image the whole sample. Several image-stitching and calibration techniques to achieve extended high-resolution fields of view have been reported, but those approaches tend to fail when imaging non-stable samples, thus precluding tomographic measurements of large biological samples, which are prone to degradation and motion during extended scan times. In this work, we demonstrate a full-volume three-dimensional reconstruction of an intact rat lung under immediate post mortem conditions and at an isotropic voxel size of (2.75 µm)^3. We present the methodology for collecting multiple local tomographies with 360 degree extended field of view scans followed by locally non-rigid volumetric stitching. Applied to the lung, it allows to resolve the entire pulmonary structure from the trachea down to the parenchyma in a single dataset.

en: Micrometer-resolution X-ray tomographic imaging of a complete intact post mortem juvenile rat lung


$oid: OBSOLETE

en: The experiment aims at visualizing with high resolution stacking faults in InSb micropillars that were deformed in a microcompression experiment. The chosen method is ptychographic topography, a new method recently developed at the cSAXS beam line.

en: Visualization of stacking faults in InSb micropillars by ptychographic topography

approval_status: approved

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.

en: PSI Data Catalog

de: PSI Data Catalog

fr: PSI Data Catalog

it: PSI Data Catalog

political_level: other

state: active

type: organization

psi

capacity: public

de: PSI Open Data Provider

type: dataset

key: guid

key: uri

value: DCAT Harvester SciCat

envi

de: Umwelt

en: Environment

fr: Environnement

it: Ambiente


amr-solver-data

en:
Data of the paper "On architecture and performance of adaptive mesh refinement in an electrostatics Particle-In-Cell code" published in Computer Physics Communications.
The data is generated as part of the PhD thesis funded by the Swiss National Science Foundation (SNSF) under contract number 200021_159936.

en: AMR solver data

title_for_slug: amr-solver-data


en: Data of the paper "Matching of turn pattern measurements for cyclotrons using multiobjective optimization" published in Physical Review Accelerators and Beams. The data is generated as part of the PhD thesis funded by the Swiss National Science Foundation (SNSF) under contract number 200021_159936.

en: Data of turn pattern matching between measurement and simulation of the PSI Ring Cyclotron


en: Data of the paper "Global sensitivity analysis on numerical solver parameters of Particle-In-Cell models in particle accelerator systems" published in Computer Physics Communications. The data is generated as part of the PhD thesis funded by the Swiss National Science Foundation (SNSF) under contract number 200021_159936.

en: Data of of a global sensitivity study of the PSI Injector 2, PSI Ring Cyclotron, IsoDAR and AWA RF gun


en:
The data is generated as part of the PhD thesis funded by the Swiss National Science Foundation (SNSF) under contract number 200021_159936. Following datasets are contained:

Halo quantification in PSI Ring cyclotron dependent on number of macro particles
-- Benchmark of AMR solver run on CPUs and GPUs with Trilinos master
-- Optimization of PSI Ring cyclotron septum
-- Septum study in PSI Ring cyclotron;

Additional datasets of the PhD thesis, which are used for journal publications, are:

AMR Solver data (https://doi.org/10.16907/f1285417-f190-4563-a8ee-04ebd9246a21)
-- Data of turn pattern matching between measurement and simulation of the PSI Ring Cyclotron (https://doi.org/10.16907/00b95267-8b8b-48a7-8de6-8da6b9b7bb7d)
-- Data of of a global sensitivity study of the PSI Injector 2, PSI Ring Cyclotron, IsoDAR and AWA RF gun (https://doi.org/10.16907/fd7d6880-7a0f-4b52-942d-35e23b77d0dc)

en: Data of PhD thesis "Precise Simulations of Multibunches in High Intensity Cyclotrons"


en: Long-wavelength pulses from the Swiss X-ray free-electron laser (XFEL) have been used for de novo protein structure determination by native single-wavelength anomalous diffraction (native-SAD) phasing of serial femtosecond crystallography (SFX) data. In this work, sensitive anomalous data-quality indicators and model proteins were used to quantify improvements in native-SAD at XFELs such as utilization of longer wavelengths, careful experimental geometry optimization, and better post-refinement and partiality correction. Compared with studies using shorter wavelengths at other XFELs and older software versions, up to one order of magnitude reduction in the required number of indexed images for native-SAD was achieved, hence lowering sample consumption and beam-time requirements significantly. Improved data quality and higher anomalous signal facilitate so-far underutilized de novo structure determination of challenging proteins at XFELs. Improvements presented in this work can be used in other types of SFX experiments that require accurate measurements of weak signals, for example time-resolved studies.

en: Advances in long-wavelength native phasing at X-ray free-electron lasers


en: In the associated article to these datasets, we describe a new genus and species of an extinct magnoliid flower based on coalified fossils extracted from the Early Cretaceous Catefica mesofossil flora of Portugal. Internal structures of the fossils were investigated using synchrotron radiation X-ray tomographic microscopy at the TOMCAT Beamline, Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland. Phylogenetic analyses using external and internal features indicate relationship to Canellales and Magnoliales.

en: Synchrotron radiation X-ray tomographic microscopy datasets for the Early Cretaceous flower Catanthus dolichostemon E.M.Friis, P.R.Crane & K.R.Pedersen from Portugal


en: In the associated article to these datasets, we describe three new genera, Atlantocarpus E.M.Friis, K.R.Pedersen & P.R.Crane, Lambertiflora E.M.Friis, K.R.Pedersen & P.R.Crane and Mugideiriflora E.M.Friis, K.R.Pedersen & P.R.Crane from the Early Cretaceous of eastern North America and Portugal. Internal structures of the fossils were investigated using synchrotron radiation X-ray tomographic microscopy at the TOMCAT Beamline, Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland. All three genera are characterized by their multiparted and apocarpous gynoecium. Phylogenetic analyses using external and internal features indicate relationship to early diverging angiosperms and the fossils add to the growing evidence of extensive extinctions early in the history of angiosperms.

en: Synchrotron radiation X-ray tomographic microscopy datasets for Atlantocarpus, Lambertiflora and Mugideiriflora from the Early Cretaceous of eastern North America and Portugal


en: In the related publication, we introduce a new application of time-resolved X-ray tomography (XRT) to imaging of the washcoating process in catalytic monolith filters with a honeycomb structure (DPF, GPF). The method is applied to several alumina washcoats with different particle size distributions deposited on a cordierite substrate. The results bring new insights into the drying dynamics of the porous filter wall as well as the on-wall catalyst layer, including the process of layer shrinking and cracking. The XRT results are supplemented by cross-section scanning electron microscopy images and mercury intrusion porosimetry of the final structures. In addition to the statistical analysis of the washcoat distribution, the impact of the washcoat structure on filter pressure loss is determined by  experiments.

en: Washcoating of catalytic particulate filters studied by time-resolved X ray tomography

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: In the related publication to these data sets, we explore the flow dynamics for two-phase flow in a porous medium (a bioclastic carbonate rock). We use state-of-the-art synchrotron X-ray tomography to capture the fluid dynamics within the pore space, with a scan time of 1 second and a temporal resolution (scan repetition rate) of 2 s. The rock sample was initially saturated with brine (DI water doped with 15%wt. KI) before brine and nitrogen gas were injected simultaneously. As the gas establishes a path through the pore space, the flow dynamics are transient. Eventually, an equilibrium is established, where the gas saturation oscillates about a constant mean value; this is referred to as steady state. There are 5 data sets, 3 of which capture the unsteady state dynamics, and 2 of which capture the steady state dynamics. The images were captured with a voxel size of 2.75 µm3. In these data sets we observe that the pore scale dynamics evolve as the macroscopic flow transitions from unsteady state to steady state. We observe that the saturation of the gas plateaus out before the differential pressure across the core. This suggests that gas phase is more mobile during unsteady state.

en: Real-Time Imaging Reveals Distinct Pore-Scale Dynamics During Transient and Equilibrium Subsurface Multiphase Flow

en: PSI Data Catalog

envi

en: Environment


en: In the corresponding article to these data sets, we explore the flow dynamics for two-phase flow in a porous medium (a bioclastic carbonate rock). We use state-of-the-art synchrotron X-ray tomography to capture the fluid dynamics within the pore space, with a temporal resolution of 1 s. The rock sample was initially saturated with brine (DI water doped with 15%wt. KI) before brine and nitrogen gas were injected simultaneously. As the gas establishes a path through the pore space, the flow dynamics are transient. Eventually, an equilibrium is established, where the gas saturation oscillates about a constant mean value; this is referred to as steady state. There are 9 data sets, with all the dynamics captured during steady state. We explore 3 total flow rates (brine flow rate + nitrogen flow rate): 0.1ml/min, 0.4ml/min, 0.7ml/min. With 3 fractional flows (brine flow rate / total flow rate) explored for each total flow rate: 0.85, 0.7 and 0.5. The images were captured with a voxel size of 2.75 µm3. In these data sets we observe the development of intermittent flow pathways, and the stability of these pathways when perturbed by a change in the flow rate .

en: The development and stability of intermittent fluid flow pathways during multiphase flow in porous media.


en:
We report a soft x-ray resonant magnetic scattering study of the spin configuration in multiferroic thin
films of Co0.975Ge0.025Cr2O4 (Ge-CCO) and CoCr2O4 (CCO) under low and high magnetic fields from 0.2 to
6.5 T. A characterization of Ge-CCO at a low magnetic field was performed, and the results were compared with
those of pure CCO. The ferrimagnetic phase transition temperature TC ≈ 95 K and the multiferroic transition
temperature TS ≈ 27 K in Ge-CCO are comparable with those observed in CCO. In Ge-CCO, the ordering wave
vector (qq0) observed below TS is slightly larger compared with that of CCO, and unlike CCO, the diffraction
intensity consists of two contributions that show a dissimilar x-ray polarization dependence. In Ge-CCO, the
coercive field observed at low temperatures was larger than the one reported for CCO. In both compounds,
an unexpected reversal of the spiral helicity, and therefore the electric polarization, was observed on simply
magnetic field cooling. In addition, we find a change in the helicity as a function of momentum transfer in the
magnetic diffraction peak of Ge-CCO, indicative of the presence of multiple magnetic spirals.

en: Raw and derived data set from the study: Magnetic field dependent cycloidal rotation in pristine and Ge-doped CoCr2O4


en: We identify a highly ordered Moiré lattice at the buried SrTiO3 (STO) - (La,Sr)(Al,Ta)-oxide (LSAT) interface by high-resolution X-ray diffraction reciprocal space mapping. We find long-ranged ordered Supercells of 106/107 unit cells of unstrained STO/LSAT, caused by complete lattice relaxation through high-temperature annealing. Transmission electron microscopy (TEM) images show that this periodicity is based on line dislocations at the interface region. The presence of such ordered Superstructures in such widely used complex oxides sets the ideal conditions for Moiré-tuned interfacial electronic modifications and ferroelectric Super-crystallinity, opening up the possibility for novel interface functionalities and impacting findings on vortex structured multilayers systems.

en: Buried Moiré Supercells through SrTiO3 nanolayer relaxation


en: Myelin insulates neuronal axons and enables fast signal transmission, constituting a key component of brain development, aging and disease. Yet, myelin-specific imaging of macroscopic samples remains a challenge. Here, we exploit myelin’s nanostructural periodicity, and use small-angle X-ray scattering tensor tomography (SAXS-TT) to simultaneously quantify myelin levels, nanostructural integrity and axon orientations in nervous tissue. Proof-of-principle is demonstrated in whole mouse brain, mouse spinal cord and human white and gray matter samples. Outcomes are validated by 2D/3D histology and compared to MRI measurements sensitive to myelin and axon orientations. Specificity to nanostructure is exemplified by concomitantly imaging different myelin types with distinct periodicities. Finally, we illustrate the method’s sensitivity towards myelin-related diseases by quantifying myelin alterations in dysmyelinated mouse brain. This non-destructive, stain-free molecular imaging approach enables quantitative studies of myelination within and across samples during development, aging, disease and treatment, and is applicable to other ordered biomolecules or nanostructures.

en: Nanostructure-specific X-ray tomography reveals myelin levels, integrity and axon orientations in mouse and human nervous tissue


en: Magma reservoirs are not directly accessible, limiting our capability to understand the prerequisites for an explosive eruption and our ability to perform experiments that simulate magmatic processes at depth. Therefore, deciphering volcanic precursors is key to forecasting volcanic eruptions. In the publication related to these datasets, we used synchrotron-based X-ray tomographic microscopy to observe felsic magma vesiculation at high temperature (1100 C) to establish the pre-eruptive conditions that favor explosive activity. Specifically, we studied the increase of seismic attenuation with increasing gas content during magma vesiculation.

en: Felsic magma vesiculation revealed by synchrotron-based X-ray tomographic microscopy


en: The aim of this proposal is to image the complex vascular lesions seen in human pulmonary hypertension (PH). High resolution 3D image data can by itself, or when combined with subsequent sectioning and immunohistochemical analyses of the same specimen, create a detailed map of the distribution of pathology in 3D space. This project has the potential to advance our understanding of PH pathophysiology and increase our chances of finding relevant targets for drug development.

en:
Synchrotron Imaging of Complex Vascular Lesions in Human Pulmonary Hypertension:
Pathology Distribution in 3D Space


en:
Particle accelerators are enabling tools for scientific exploration and discovery in various disciplines.  Finding optimized operation points for these complex machines is a challenging task, however, due to the large number of parameters involved and the underlying non-linear dynamics. Here, we introduce two families of data-driven surrogate models, based on deep and invertible neural networks, that can replace the expensive physics computer models.
These models are employed in multi-objective optimisations to find Pareto optimal operation points for two fundamentally different types of particle accelerators. Our approach reduces the time-to-solution for a multi-objective accelerator optimisation up to a factor of 640 and the computational cost up to 98%. The framework established here should pave the way for future on-line and real-time multi-objective optimisation of particle accelerators.

en: Data for the paper: "Fast,  efficient  and  flexible  particle  accelerator  optimisation using densely connected and invertible neural networks"

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: Pump-probe experiment on antiferromagnetic Bragg peak

en: NaOsO3 magnetism SACLA XFEL experiment 2017/04

en: PSI Data Catalog


en:
We present a detailed low-energy muon spin rotation and x-ray magnetic circular dichroism (XMCD) investigation of the magnetic structure in ultrathin tetragonal (T)-CuO films. The measured muon-spin polarization decay indicates an antiferromagnetic (AFM) order with a transition temperature higher than 200 K. The XMCD signal obtained around the Cu L2,3 edges indicates the presence of pinned Cu
2+ moments that are parallel to the sample surface, and additionally, isotropic paramagnetic moments. The pinning of some of the Cu moments is caused by an AFM ordering consisting of moments that lie most likely in plane of the film. Moreover, pinned moments show a larger orbital magnetic moment contribution with an approximate ratio of m_orb/m_spin=1.5, indicating that these spins are located at sites with reduced symmetry. Some fractions of the pinned moments remain pinned from an AFM background even at 360 K, indicating that TN>360K. We propose a simple model that explains these experimental findings, showing that the magnetic order of the T-CuO ultrathin films differs from the theoretical predictions.

en: Magnetic order of tetragonal CuO ultrathin films

en: Environment


en: The associated article to these datasets describes a new genus and species, Skyttegaardia galtieri E.M.Friis, P.R.Crane & E.M.Friis. The fossils were isolated from dark clay of the early-mid Berriasian Skyttegård Member of the Rabekke Formation, collected at the Skyttegård and Arnager Bay localities, Bornholm, Denmark. The fossils were studied using SEM. Internal structures of the fossils were also investigated using synchrotron radiation X-ray tomographic microscopy at the TOMCAT Beamline, Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland. The new taxon is based on small microsporangiophores consisting of a proximal fertile portion and a distal sterile extension. The fertile portion is stalk-like with two sporangia deeply sunken into two cavities in the presumed abaxial surface. The sterile distal tip is long, horn-shaped and tapers to a slender point. Pollen grains in situ are of the Monosulcites/Cycadopites type, monocolpate, tectate-psilate. General organisation and details of epidermal features, as well as pollen morphology, are consistent with a possible relationship of Skyttegaardia galtieri to extant Cycadales. However, in the low number of partially embedded sporangia Skyttegaardia is distinct from the microsporophores of extant cycads, in which the sporangia are usually crowded on the surface of the microsporangiophores, typically in groups of two to five.

en: Synchrotron radiation X-ray tomographic microscopy datasets for a putative cycad from the earliest Cretaceous (Berriasian) of the isle of Bornholm, Denmark


en: Absorption spectra of optical transitions of Ho and Tb ions in LiYF4 were taken with different experimental techniques (e.g. FTIR, TDS, EPR and UTC) and ranging from MW, through THz, IR and visible, as part of Adrian Beckert's PhD thesis.

en: LiYF4:Ho and LiYF4:Tb data measured by Adrian Beckert


en: THz FTIR spectroscopy on LiYF4:Tm


en: Quantum sensors and qubits are usually two-level systems (TLS), the quantum analogues of classical bits assuming binary values 0 or 1. They are useful to the extent to which superpositions of 0 and 1 persist despite a noisy environment. The standard prescription to avoid decoherence of solid-state qubits is their isolation by means of extreme dilution in ultrapure materials. We demonstrate a different strategy using the rare-earth insulator LiY1−xTbxF4 (x = 0.001) which realizes a dense random network of TLS. Some TLS belong to strongly interacting Tb3+ pairs whose quantum states, thanks to localization effects, form highly coherent qubits with 100-fold longer coherence times than single ions. Our understanding of the underlying decoherence mechanisms—and of their suppression—suggests that coherence in networks of dipolar coupled TLS can be enhanced rather than reduced by the interactions.

en: LiYF4:Tb Absorption and EPR spectroscopy


en:
FTIR at PSI
TDS at Leeds
UTC absorption spectroscopy at UCL

The insulating rare-earth magnet LiY1−xHoxF4 has received great attention because a laboratory field applied perpendicular to its crystallographic caxis converts the low-energy electronic spin Hamiltonian into the (dilute) transverse field Ising model. The mapping between the real magnet and the transverse field Ising model is strongly dependent on the exact nature of the low-energy Hamiltonian for the material, which can be determined by spectroscopy in the dilute limit. The energies of the eigenstates are in the difficult terahertz (THz) regime, and here we use THz time domain and Fourier transform spectroscopy to directly measure the lowest crystal-field levels of LiY1−xHoxF4 in the dilute limit, including nuclear hyperfine substructure. The high resolution of our measurements allows us to observe the nonequidistantly spaced Ho (I=72) hyperfine transitions originating from dipolar and quadrupolar hyperfine interactions. We provide refined crystal-field parameters and extract the dipolar and quadrupolar hyperfine constants AJ=0.02703$\pm$0.00003 cm−1 (810.3$\pm$0.9 MHz) and B=0.04$\pm$0.01 cm−1(1.2$\pm$0.3 GHz), respectively. Thereupon we determine all crystal-field energy levels and magnetic moments of the 5I8 ground-state manifold, including the (nonlinear) hyperfine corrections. The latter improve the prediction precision by a factor of 60 compared to previous crystal-field parameters. Additionally, we establish the far-infrared, low-temperature refractive index of LiY1−xHoxF4.

en: LiYHoF4 absorption spectroscopy


en: LiYTbF4 EPR and FTIR

en: LiYF4:Tb spectroscopy


en: The article accompanying this dataset gives a brief overview of the recent developments of time-resolved X-ray tomography that have led to what we now call “tomoscopy”. A novel setup is presented and applied that pushes temporal resolution down to just 1 ms, i.e. 1000 tomograms per second (‘tps') are acquired, while maintaining spatial resolutions of micrometres and running experiments for minutes without interruption. Applications recorded at different acquisition rates ranging from 50 to 1000 tps are presented. We observe and quantify the immiscible hypermonotectic reaction of AlBi10 (in wt%) alloy and dendrite evolution in AlGe10 (in wt%) casting alloy during fast solidification. We analyse the combustion process and the evolution of the constituents in a burning sparkler. Finally, we follow the structure and density of two metal foams over a long period of time and derive details of bubble formation and bubble ageing including quantitative analyses of bubble parameters with millisecond temporal resolution.

en: Tomoscopy: Time-resolved tomography for dynamic processes in materials

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: X-ray scattering tensor tomography (XSTT) facilitates the investigation of microstructural organization in statistically large sample volumes. Leveraging recent developments of diffractive optics, orders of magnitude faster XSTT has been developed and demonstrated. This new rapid acquisition method unlocks XSTT applications for rapid inspections and time-resolved studies of microstructure over orders of magnitude bigger volumetric field of views.

en: X-ray scattering tensor tomography data for a validation sample

en: PSI Data Catalog


en: The associated article to these datasets describes a new genus and two new species from the Late Cretaceous (Campanian-Maastrichtian) Mira locality, District of Coimbra, Portugal. The new taxa are based on small lignitized and charcoalified flower buds, post-anthetic flowers and a fruit. Internal structures of the fossils were investigated using synchrotron radiation X-ray tomographic microscopy at the TOMCAT Beamline, Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland. Internal structures and other details provide clear evidence for a phylogenetic position of the fossils in the family Primulaceae of the order Ericales. A key distinctive feature that is critical for placing the fossils in the Primulaceae s. l., is the free, central dome-shaped placenta that bears numerous, densely spaced ovules. The fruit matured into a capsule containing many, minute, reticulate seeds. Phylogenetic analyses using external and internal features of the fossils confirm their relationship to Primulaceae s. l. and indicate a position as sister to the genus Samolus of the subfamily Theophrastoideae. The occurrence of these fossils in the Late Cretaceous calls into question a previous hypothesis that the Theophrastoideae originated in the Neotropics and dispersed relatively recently into other regions.

en: Synchrotron radiation X-ray tomographic microscopy datasets for primuloid flowers from the Late Cretaceous of Portugal

en: Environment


en: We present a theoretical framework to model the generation and shaping of carrier-envelope phase stable narrowband pulses by means of difference frequency generation from independently tunable optical parametric amplifiers. The simulations apply group delay dispersion (GDD) to infrared (IR) pulses to generate second-order phase-modulated mid-IR pulses. The modulation of the second-order phase of the mid-IR is dependent on the relative second-order phase of the mixed IR pulses. Changing the relative second-order phase can produce linearly chirped or Fourier-limited narrowband mid-IR pulses. The bandwidth of the mid-IR is dependent on the pulse-shaped IR pulses and the central frequency of the mid-IR pulses are unaffected by the chirp. The delay between the optical parametric amplifiers offers another degree of tunability. The introduction of a delay changes the central frequency of the generated mid-IR pulse. It also has limited impact on the bandwidth of the mid-IR and does not change the dependence of the second-order phase of the mid-IR on the relative second-order phase of the IR pulses.

en: Simulated Generation of Tunable and Shaped Narrowband THz Pulses using Difference Frequency Generation


en: Understanding ultrafast magnetization dynamics on the microscopic level is of strong current interest due to the potential for applications in information storage. In recent years, the spin-lattice coupling has been recognized to be essential for ultrafast magnetization dynamics. Magnetoelectric multiferroics of type II possess intrinsic correlations among magnetic sublattices and electric polarization (P) through spin-lattice coupling, enabling fundamentally coupled dynamics between spins and lattice. Here we report on ultrafast magnetization dynamics in a room-temperature multiferroic hexaferrite possessing ferrimagnetic and antiferromagnetic sublattices, revealed by time-resolved resonant x-ray diffraction. A femtosecond above-bandgap excitation triggers a coherent magnon in which the two magnetic sublattices entangle and give rise to a transient modulation of P. A novel microscopic mechanism for triggering the coherent magnon in this ferrimagnetic insulator based on the spin-lattice coupling is proposed. Our finding opens up a novel but general pathway for ultrafast control of magnetism.

en: Optical excitation of electromagnons in hexaferrite


en: Chloride transport by microbial rhodopsins is an essential process of which the molecular details have remained elusive, such as the mechanisms that convert light energy to drive ion pumping and ensure the unidirectionality of the transport. We combined time-resolved serial crystallography with time-resolved spectroscopy and multiscale simulations to elucidate the molecular mechanism of a chloride pumping rhodopsin and the structural dynamics throughout the transport cycle. We traced transient anion binding sites, obtained evidence for how light energy is used in the pumping mechanism, and identified steric and electrostatic molecular gates ensuring unidirectional transport. An interaction with the π-electron system of the retinal supports transient chloride ion binding across a major bottleneck in the transport pathway. These results allow us to propose key mechanistic features enabling finely controlled chloride transport across the cell membrane in this light powered chloride ion pump.

en: Dynamics and mechanism of a light-driven chloride pump - SFX datasets


en: Dynamics and mechanism of a light-driven chloride pump - SSX datasets


en: Dynamics and mechanism of a light-driven chloride pump - datasets collected with 13.7 keV X-ray energy


en:
A Muon Induced Xray Measurement (MIXE) of a hetero-structured sample of known elements and thicknesses.
The target consisted of a three-layered sandwich sample of iron (Fe), titanium (Ti), and copper (Cu) plates and was placed in vacuum.
Each layer was 500 μm thick with a diameter of 26.5 mm.
The sample was used to characterize the capabilities of MIXE at PSI. This sample emphasizes the quality of a continuous beam, and the exceptional SNR at high rates.

en: MIXE 2018 Fe/Ti/Cu sandwich sample raw data


en:
We report on element-resolved ultrafast magnetization dynamics in multiferroic CoCr2O4 and
Co0.975Ge0.025Cr2O4 after optical excitation above the electronic band gap. We observe demagnetization dynamics
in the range of several picoseconds, up to two orders of magnitude faster than previously reported
demagnetization in other ferrimagnetic insulators. Moreover, we find that the dynamics of the two magnetic
ions differ significantly just below the Curie point. The dynamics of the low-temperature multiferroic phase
are almost two times slower than those in the ferrimagnetic phase. This suggests that the additional magnetic
cycloidal component, which is coupled to electric polarization at low temperatures, might influence the ultrafast
magnetization dynamics.

en: Ultrafast probe of magnetization dynamics in multiferroic CoCr2O4 and Co0.975Ge0.025Cr2O4

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: The associated article to these datasets describes two new genera and species, Aristospermum huberi E.M.Friis, P.R.Crane & K.R.Pedersen and Siratospermum mauldinense E.M.Friis, P.R.Crane & K.R.Pedersen as well as related fossils assigned to Aristospermum cf. huberi and Aristospermum sp. 1. The fossil seeds of Aristospermum are from the Early Cretaceous Buarcos, Catefica and Vale de Água mesofossil floras of Portugal (Aptian-early Albian) and the Puddledock mesofossil flora of Puddledock, Virginia, North America (early-middle Albian). The fossil seeds of Siratospermum are from the mid Cretaceous (early Cenomanian) Mauldin Mountain mesofossil flora. The fossils were studied for morphological and anatomical features using scanning electron microscopy (SEM) and synchrotron radiation X-ray tomographic microscopy (SRXTM). The seeds are anatropous, bitegmic and endostomic with the micropyle formed by the inner integument. The seed coat in all specimens consists of an exotesta of varied thickness, an endotesta of crystal cells and a three-layered tegmen with crossed fibers, features that in extant angiosperms define seeds of Aristolochiaceae (subfamilies Asaroideae and Aristolochioideae) and the fossils document for the first time the presence of the Aristolochiaceae lineage already by the Early Cretaceous.

en: Synchrotron radiation X-ray tomographic microscopy datasets for aristolochiaceous seeds from the Early Cretaceous of Portugal and North America

en: PSI Data Catalog


en:
Here we report a resonant x-ray diffraction (RXD) study at the Cu L3 edge on the multichiral system CsCuCl3, exhibiting helical magnetic order in a chiral crystal structure. RXD is a powerful technique to disentangle electronic degrees of freedom due to its sensitivity to electric monopoles (charge), magnetic dipoles (spin),
and electric quadrupoles (orbital). We characterize electric quadrupole moments around Cu ascribed to the unoccupied Cu 3d orbital, whose quantization axis is off the basal plane. Detailed investigation of magnetic reflections reveals additional sinusoidal modulations along the principal axis superimposed on the reported
helical structure, i.e., a longitudinal conical (helical-butterfly) structure. The out-of-plane modulations imply significant spin-orbit interaction despite S = 1/2 of Cu2+.

en: Conical spin order with chiral quadrupole helix in CsCuCl3

en: Environment


en:
The raw and derived data are related to the following publication:

Drying of water from porous structures investigated by time-resolved X-ray tomography

In this contribution, we apply time-resolved X-ray tomography to study drying of water in porous ceramic substrates used in emission control technologies. A time resolution of 2 seconds is achieved, and allows to observe the spatiotemporal distribution of water in structured porous materials. An image processing framework based on machine learning is introduced to track pore emptying and filling in a large number of 3D scans. Drying curves are extracted from the tomographic data to investigate drying in materials with different structural properties. Water redistribution by capillary pumping and rapid pore emptying by Haines jumps are observed, and their impact on drying dynamics is discussed. The relationship between the evolution of water clusters and different drying regimes is established. The obtained information on the interplay between pore emptying, water redistribution and the size of water clusters provides an important link between the structural properties of dried materials and their drying rate.


en:
X-ray linear dichroism and X-ray birefringence microscopy are yet to be fully utilized as instruments in the microstructural characterization of crystalline materials. These datasets are obtained from the first demonstration of analyzer-free X-ray linear dichroism microscopy using spectroscopic hard X-ray ptychography. Analysis of these data enabled a spectroscopic and microstructural characterization of polycrystalline vanadium pentoxide on the nanoscale, outside of diffraction-contrast based methods.
This work is supported by the Swiss National Science Foundation (project numbers PZ00P2_179886 and 200021_178788).

en: Dataset: Nanoscale crystal grain characterization via linear polarization X-ray ptychography


en:
The performance of functional materials is either driven or limited by nanoscopic heterogeneities distributed throughout the material’s volume. To better our understanding of these materials, we need characterization tools that allow us to determine the nature and distribution of these heterogeneities in their native geometry in 3D. These datasets contain measurements of pristine and industrially used vanadium phosphorous oxide (VPO) catalysts. The experiments were conducted using combined method of x-ray near-edge spectroscopy, ptychographic x-ray computed nanotomography, and sparsity techniques. The method allows the acquisition of quantitative multimodal tomograms of representative sample volumes at sub–30 nm half-period spatial resolution within practical acquisition times, which enables local structure refinements in complex geometries.
This work is supported by the Swiss National Science Foundation (project numbers PZ00P2_179886 and 200021_178788).

en: Dataset: Sparse ab initio x-ray transmission spectrotomography for nanoscopic compositional analysis of functional materials


en: The recently discovered superconducting nickelates are already looking quite different to their cousins, the cuprates. One big reason is the magnetic order. First, the undoped parent compound NdNiO2 appears to be non-magnetic, unlike the undoped cuprates, which are antiferromagnetic. Secondly, the hole-doped Nd1-xSrxNiO2 seems to host antiferromagnetic order as well as superconductivity and these coexisting phenomena are rare in hole-doped cuprates. Low energy muon spin relaxation provides the ideal tool to probe the magnetism in this new family of superconductors.

en: Determining the nature of the magnetism in infinite layer nickelate superconductors


en: Incomplete cancellation of collinear antiparallel spins gives rise to ferrimagnetism. Even if the oppositely polarized spins are owing to the equal number of a single magnetic element having the same valence state, in principle, a ferrimagnetic state can still arise from the crystallographic inequivalence of the host ions. However, experimental identification of such a state as “ferrimagnetic” is not straightforward because of the tiny magnitude expected for M and the requirement for a sophisticated technique to differentiate similar magnetic sites. We report a synchrotron-based x-ray investigation on an epitaxial film of CaFe2O4, which exhibits two magnetic phases with similar energies, performed at the Fe L2,3 edges. We find that while one phase of CaFe2O4 is antiferromagnetic, the other one is “ferrimagnetic” with an antiparallel arrangement of an equal number of spins between two distinct crystallographic sites with very similar local coordination environments. Our results further indicate two distinct origins of an overall minute M; one is intrinsic, from distinct Fe3+ sites, and the other one is extrinsic, arising from defective Fe2+ likely forming weakly-coupled ferrimagnetic clusters. These two origins are uncorrelated and have very different coercive fields. Hence, this work provides a direct experimental demonstration of “ferrimagnetism” solely due to crystallographic inequivalence of the Fe3+ as the origin of the weak M of CaFe2O4.

en: Ferrimagnetism in CaFe2O4


en: In this dataset the catalytic fast pyrolysis of three methoxyphenol isomers was investigated over HZSM-5 catalyst. The data is part of a manuscript submitted to the journal Phys. Chem. Chem. Phys., entitled " Operando PEPICO unveils the catalytic fast pyrolysis mechanism of the three methoxyphenol isomers". This work is supported by the Swiss National Science Foundation (project number 200021_178952).

en: Dataset: Operando PEPICO unveils the catalytic fast pyrolysis mechanism of the three methoxyphenol isomers


en: In this dataset the methanol to olefin reaction was investigated over H-ZSM-5 catalyst using Photoelectron Photoion Coincidence (PEPICO) coincidence techniques. The data is part of a manuscript submitted to the journal Angewandte Chemie, entitled " Ketenes in the Induction of the Methanol-to-Olefins Process". This publication was created as part of NCCR Catalysis, a National Centre of Competence in Research funded by the Swiss National Science Foundation.

en: Dataset: Ketenes in the Induction of the Methanol-to-Olefins Process

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: In the corresponding article to these data sets, we explore the flow dynamics for two-phase flow in a porous medium (a bioclastic carbonate rock). We use state-of-the-art synchrotron X-ray tomography to capture the fluid dynamics within the pore space, with a temporal resolution of 1 s. The rock sample was initially saturated with brine (DI water doped with 15%wt. KI) before brine and nitrogen gas were injected simultaneously. As the gas establishes a path through the pore space, the flow dynamics are transient. Eventually, an equilibrium is established, where the gas saturation oscillates about a constant mean value; this is referred to as steady state. There are 9 data sets, with all the dynamics captured during steady state. We explore 3 total flow rates (brine flow rate + nitrogen flow rate): 0.1ml/min, 0.4ml/min, 0.7ml/min. With 3 fractional flows (brine flow rate / total flow rate) explored for each total flow rate: 0.85, 0.7 and 0.5. The images were captured with a voxel size of 2.75 µm3. In these data sets we observe the development of intermittent flow pathways, and the stability of these pathways when perturbed by a change in the flow rate .

en: The development and stability of intermittent fluid flow pathways during multiphase flow in porous media - initial state data

en: PSI Data Catalog


en: Understanding the ultrashort time scale structural dynamics of the FeRh metamagnetic phase transition is a key element in developing a complete explanation of the mechanism driving the evolution from an antiferromagnetic to ferromagnetic state. Using an X‐ray free electron laser we determine, with sub‐ps time resolution, the time evolution of the (–101) lattice diffraction peak following excitation using a 35 fs laser pulse. The dynamics at higher laser fluence indicates the existence of a transient lattice state distinct from the high temperature ferromagnetic phase. By extracting the lattice temperature and comparing it with values obtained in a quasi‐static diffraction measurement, we estimate the electron–phonon coupling in FeRh thin films as a function of laser excitation fluence. A model is presented which demonstrates that the transient state is paramagnetic and can be reached by a subset of the phonon bands. A complete description of the FeRh structural dynamics requires consideration of coupling strength variation across the phonon frequencies.

en: Raw data of the SACLA XFEL experiment 2021/05, Proposal Number: 2021A8026 on FeRh (Determination of sub‐ps lattice dynamics in FeRh thin films)

en: Environment


en: We present a detailed atomistic picture of the oxidation mechanism of Co nanoparticles and its impact on magnetism by experimentally following the evolution of the structure, chemical composition, and magnetism of individual, gas-phase grown Co nanoparticles during controlled oxidation. The early stage oxidation occurs in a two-step process characterized by (i) the initial formation of small CoO crystallites randomly distributed across the nanoparticle surface, until their coalescence leads to structural completion of the oxide shell and passivation of the metallic core; (ii) progressive conversion of the CoO shell to Co3O4, accompanied by void formation due to the nanoscale Kirkendall effect. The Co nanoparticles remain highly reactive toward oxygen during phase (i), demonstrating the absence of a pressure gap whereby a low reactivity at low pressures is postulated. Our results provide an important benchmark for an improved understanding of the magnetism of oxidized cobalt nanoparticles, with potential implications on their performance in catalytic reactions.

en: Absence of a pressure gap and atomistic mechanism of the oxidation of pure Co nanoparticles


chiral-phonons-probed-by-x-rays

en: The concept of quasiparticles is a landmark of condensed matter physics. The symmetry of quasiparticles is of particular importance to attaining emergent phenomena in both equilibrium and nonequilibrium states. Whereas recent exploration has demonstrated chiral fermions and their relevance in emergent phenomena closely relating to topology, the experimental verification of chiral phonons (bosons) remains challenging despite their expected strong impact on fundamental physical properties. Here we show experimental proof of chiral phonons by means of resonant inelastic X-ray scattering with circularly polarized X rays. We show how intrinsically chiral circularly polarized X rays couple to circular phonons at different positions in reciprocal space, principally being able to determine the chiral dispersion of a lattice mode. Our experimental proof of chiral phonons demonstrates a new degree of freedom in condensed matter that is not only of fundamental importance but also of inspiring unconventional ideas to extract emergent phenomena.

en: Chiral phonons probed by X rays

title_for_slug: chiral-phonons-probed-by-x-rays


en: In the associated article to these datasets, we describe a new genus and species of probable lauralean relationship, together with a new fossil related to Virginianthus from the Early Cretaceous Puddledock mesofossil flora from Virginia, USA. A further specimen is also described from the Early Cretaceous Drewry’s Bluff mesofossil flora, also collected in Virginia. The fossils are lignitized (PP56524, PP56559, PP57029) or charcoalified (PP54167, 57027, PP57673) and preserved in the preanthetic stage as floral buds. Internal details were studied using synchrotron radiation X-ray tomographic microscopy at the TOMCAT Beamline, Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland. The flower buds are small and delicate, preserved as lignitized and charcoalified specimens highly suitable for SRXTM. The new lauralean fossil is characterized by a tetramerous and whorled arrangement of floral parts with at least six whorls of perianth parts and two whorls of stamens. The perianth is inserted on the outside of a distinct floral cup (hypanthium) and on the rim of the hypanthium. The androecium is also borne on the rim of the hypanthium. The gynoecium consists of three carpels that are free from each other but fused to the inside of the hypanthium wall. Each carpel has many ovules borne along two ventral placentae. The Virginianthus-like fossil has floral organs in a distinct spiral arrangement on the rim of a distinct floral cup with about 12 perianth parts and numerous stamens and possibly staminodes. The new lauralean fossil shows a mosaic of features shared by several modern groups and cannot be placed unequivocally in any extant family or order, but the overall combination of features indicates a position among magnoliid angiosperms, probably close to the base of the Laurales. The Virginianthus-like fossil is more straightforward to place and appears closely related to the lauralean family Calycanthaceae.

en: Synchrotron radiation X-ray tomographic microscopy datasets for multipartite and cupulate flowers from Early Cretaceous mesofossil floras of Virginia, USA


en: The data available here consists of XPEEM and HR-STEM raw data that was used for a publication entitled "Absence of a pressure gap and atomistic mechanism of the oxidation of pure Co nanoparticles" by Jaianth Vijayakumar, Tatiana M. Savchenko, David M. Bracher, Gunnar Lumbeeck, Armand Beche, Jo Verbeeck, Stefan Vajda, Frithjof Nolting, C.A.F. Vaz, and Armin Kleibert. A detailed list of contents is provided in the "Content of source files and raw data collection" document.

en: Raw data for publication: "Absence of a pressure gap and atomistic mechanism of the oxidation of pure Co nanoparticles"


en: The binding and release of ligands from their protein targets is central to fundamental biological processes as well as to drug discovery. Photopharmacology introduces chemical triggers that allow the changing of ligand affinities and thus biological activity by light. Insight into the molecular mechanisms of photopharmacology is largely missing because the relevant transitions during the light-triggered reaction cannot be resolved by conventional structural biology. Using time-resolved serial crystallography at a synchrotron and X-ray free-electron laser, we have captured the release of azo-combretastatin A4 and the resulting conformational changes in tubulin. Nine structural snapshots from 1 ns to 100 ms complemented by simulations show how cis-to-trans isomerization of the azobenzene bond leads to a switch in ligand affinity, opening of an exit channel, and collapse of the binding pocket upon ligand release. The resulting global backbone rearrangements are related to the action mechanism of tubulin-binding drugs against gout, cancer, and COVID-19.

en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: 10 nanoseconds after photoactivation.


en: Vision is initiated by the rhodopsin family of light-sensitive G protein-coupled receptors (GPCRs). A photon is absorbed by the 11-cis retinal chromophore of rhodopsin which isomerises within 200 femtoseconds to the all-trans conformation, thereby initiating the cellular signal transduction processes that ultimately lead to vision. However, the intramolecular mechanism by which the photoactivated retinal induces the activation events inside rhodopsin remains elusive. In this work, we use ultrafast time-resolved crystallography at room temperature to determine how an isomerised twisted all-trans retinal stores the photon energy required to initiate protein conformational changes associated with the formation of the G protein-binding signalling state. The distorted retinal at 1 ps time-delay of photoactivation has pulled away from half of its numerous interactions with its binding pocket, and the excess of the photon energy is released through an anisotropic protein breathing motion in the direction of the extracellular space. Strikingly, the very early structural motions in the protein side chains of rhodopsin appear in regions involved in later stages of the conserved Class A GPCR activation mechanism. Our work sheds light on the earliest stages of vision in vertebrates and points to fundamental aspects of the molecular mechanisms of agonist-mediated GPCR activation.

en: ULTRAFAST STRUCTURAL CHANGES DIRECT THE FIRST MOLECULAR EVENTS OF VISION. Gruhl et al. 2023, Nature.

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: 1 nanosecond after photoactivation.

en: PSI Data Catalog


en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: 100 nanoseconds after photoactivation.


en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: 1 microsecond after photoactivation.

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en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: 100 microseconds after photoactivation.


en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: 1 millisecond after photoactivation.


en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: 10 milliseconds after photoactivation.


en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: Apo state


en: Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography: Dark state


en:
In this dataset the oxidative dehydrogenation of propane (ODHP)  was investigated over BN and VOx catalysts using Photoelectron Photoion Coincidence
(PEPICO) coincidence techniques. The data is part of a manuscript submitted to the Journal of the American Chemical Society , entitled " Unraveling Radical and Oxygenate Routes in the Oxidative Dehydrogenation of Propane over Boron Nitride". This publication was created as part of NCCR Catalysis, a National Centre of
Competence in Research funded by the Swiss National Science Foundation.  The folders contain mass spectra and threshold photoelectron raw data at different reactor temperatures. To analyse the data please download the following program: https://www.psi.ch/en/media/80480/download?attachment

en: Dataset to: Unraveling Radical and Oxygenate Routes in the Oxidative Dehydrogenation of Propane over Boron Nitride


en: Gas-liquid two-phase flow is a very complex physical system. It is essential to study the physical interactions between gas and liquid phases, towards improving the modeling of the interfacial transport terms between the two phases. Higher resolution experimental data is essential for CFD quality closure model development. The two-phase flow behavior is highly influenced by flow conditions and the interaction between the bubbles of different sizes and different velocities. Currently, the prediction of bubble size distribution, bubble velocity and interfacial area concentration remain the most challenging tasks in analyzing the transport phenomena and simulating the turbulent bubble flows. Accordingly, several experiments have been conducted in tube bundles such as SUBFLOW at PSI. The SUBFLOW test facility is one of the very few facilities in the world that use Wire Mesh Sensors (WMS) to investigate the two-phase flow characteristics in tube bundles. In this work, we have reconstructed and recommissioned the SUBFLOW test facility, and utilize it to generate new data to extend the two-phase flow validation database, which includes void fraction, bubble distribution and bubble velocity measurement in a tube bundle. Separately, this paper also explains the WMS post processing techniques. Several WMS post-processing frameworks are available at PSI. The presented results show the variation between the different post-processing toolkits, as well as a comparison against previous SUBFLOW experimental data was conducted to verify the consistency of the recommissioning of SUBFLOW facility.

en: Experimental Study for High Reynolds’ Gas-Liquid Two-phase Flow through rod bundle using Wire Mesh Sensor (WMS)

stars

display_name: stars

subflow

display_name: subflow


en: This dataset has been used in the work titled ‘Metamorphic fabrics can be formed by stress without significant strain’ by Gilgannon et al. (2023). It was acquired at the TOMCAT beamline as part of a long term science proposal called ‘Implementing novel X-ray transparent triaxial deformation rigs to study fluid-rock interaction at mid-crustal conditions’. This research was funded through NERC standard grant NE/T001615/1.

en: Metamorphic fabrics can be formed by stress without significant strain - sample VA19


en: Calibrated and reconstructed data for the SciFi sub-detector of the Mu3e experiment

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: The files contain the calibrated and reconstructed data collected during test beam campaigns at PSI in 2020 and 2021 intended to characterize the performance of the SciFi subdetector of the Mu3e experiment

en: Development of the Scintillating Fiber Timing Detector for the Mu3e Experiment

en: PSI Data Catalog


en: Electromagnons are emergent collective excitations that involve both vibrational and magnetic characters, arising from strong coupling between the lattice and spins. Although previous experimental studies have successfully observed the spin dynamics of a coherent electromagnon, the associated atomic motions have not been directly observed. Here we use time-resolved hard X-ray diffraction to directly measure the ultrafast structural motion following the excitation of a coherent electromagnon by an intense THz pulse in a multiferroic hexaferrite. Comparing the dynamics of two different components, one striking outcome is the different phase shifts relative to the driving field, gives deeper insights into the excitation process of the electromagnons. The observation of combined lattice and magnetization dynamics of the electromagnon resonance paves the way to access the magnetoelectric coupling strength in ultrafast timescales, which remains a missing fundamental parameter for ultrafast control of magnetism in multiferroics.

en: Non-equilibrium dynamics of spin-lattice coupling

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dataset-phd-thesis-zeyou-pan

en: In this dataset all experimental data of the PhD work of Zeyou Pan is published. The dataset contains raw and derived data. This work is supported by the Swiss National Science Foundation (project number 200021_178952).

en: Dataset: PhD Thesis Zeyou Pan

title_for_slug: dataset-phd-thesis-zeyou-pan


en: Dark and light CrystFEL stream files for every timepoint collected during beamtime 19638

en: stream files produced from experiment p19638


en:
We report the successful operation of a functional pixel detector with gaseous helium cooling. Using an accurate
mock-up beforehand, the cooling was validated. We use a miniature turbo compressor to propel the helium at 2 g/s
under ambient pressure conditions with gas temperatures above 0 °C. Our earlier results based on computational fluid
dynamics simulations and a much simpler mock-up are confirmed. With this, we paved the path to cool pixel detectors in
experimental particle physics at heat densities up to 400 mW/cm2 using helium. This enables cooling of detectors with
very low mass requirements, minimising the effects of multiple Coulomb scattering effectively. The concept presented
here is not limited to pixel detector applications and can be used to cool any surface with comparable heat-densities,
only limited by shaping the helium gas flow.

en: Successful cooling of a pixel tracker using gaseous helium: studies with a mock-up and a detector prototype.

en: pixel mu3e myon helium

helium

display_name: helium

myon

display_name: myon

pixel

display_name: pixel


en: The article associated with the datasets provided here presents a summary of the diverse and abundant occurrence of chloranthoid fossils from Cretaceous strata, along with the description of three new genera from the Early Cretaceous of Portugal and North America; the pistillate floral structures of Swamyflora and Wasmyflora and the staminate floral structures of Asterostemon. All three genera are related to extant Hedyosmum and extinct Hedyflora. The diversity of extinct chloranthoids during the Cretaceous is considerable and has revealed a number of unexpected features that help clarify the evolution of several unusual floral features of extant Chloranthaceae. Swamyflora and Wasmyflora, together with the previously described fossils of Hedyflora, are of particular importance in understanding the divergent seed coat anatomy and unusual hypanthial outgrowths of extant Hedyosmum. The description of the new Hedyosmum-like fossils is based on synchrotron radiation X-ray tomographic microscopy (SRXTM) of seven specimens of Swamyflora (PP56596, PP57072, PP57073, PP57100, PP57101, PP57106, PP57747 from the Puddledock mesofossil flora) and one specimen of Wasmyflora (S266319 from the Vale de Água mesofossil flora). The datasets supporting the descriptions are provided here together with datasets for four specimens of Hedyflora also studied using SRXTM (Hedyflora crystallifera: S172328 from the Buarcos mesofossil flora and S174186 from the Vale de Água mesofossil flora; Hedyflora sp. A: PP44116 from the Puddledock mesofossil flora; Hedyflora sp. B: PP54022 from Kenilworth mesofossil flora).

en: Synchrotron radiation X-ray tomographic microscopy datasets for Early Cretaceous Hedyosmum-like fossils from Portugal and North America


en: NavCt crystal pictures taken by light microscope at the PSI crystallisation facility.

en: 3D Crystal pictures of NavCT voltage-gated sodium channel


en: Test of scicat

en: Test 2

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: In this dataset the catalytic fast pyrolysis of ortho-methoxyphenol isomers was investigated over different zeolites. The data is part of a manuscript submitted to the journal Nat. Commun., entitled " Tuning the Zeolite Acidity Enables Selectivity Control by Suppressing Ketene Formation in Lignin Catalytic Pyrolysis". This work is supported by the Swiss National Science Foundation (project number 200021_178952).

en: Data: Tuning the Zeolite Acidity Enables Selectivity Control by Suppressing Ketene Formation in Lignin Catalytic Pyrolysis

en: PSI Data Catalog


en: The article linked to the datasets provided here describes a diverse assemblage of fossil mosses retrieved from the Early Cretaceous Catefica mesofossil flora, Portugal. The Catefica mesofossil flora is mainly dominated by angiosperm remains such as flowers, fruits and seeds. Mosses constitute a minor part of the flora. However, the mosses are systematically varied and informative, and they add important new information for understanding the diversification of the group through geological time. The fossil mosses from Catefica comprise three-dimensional charcoalified and lignitized fragments of gametophytes with leaves still attached and a single capsule. Twenty-four specimens were studied at the TOMCAT beamline of the Swiss Light Source of the Paul Scherrer Institute, Villigen, Switzerland. The analyses were carried out using a x10 objective with isotropic pixel size of 0.65 μm (S156534, S156535, S266374–S266379, S266383–S266392) or a x20 objective with isotropic pixel size of 0.325 μm (S171522, S174251, S266084, S266380–S266382). Together with scanning electron microscopy (SEM), the synchrotron radiation X-ray tomographic microscopy (SRXTM) analyses have revealed excellent morphology and cellular details that allow the recognition of seven new, extinct species accommodated in six genera. Three of the species can with confidence be placed in extant genera, while four are assigned to new, extinct genera. The species are distributed among four orders of extant mosses, Sphagnales, Polytrichales, Diphysciales and Dicranales, representing three classes, Sphagnopsida, Polytrichopsida and Bryopsida. Diphysciales being reported from Mesozoic strata for the first time. It is significant that although the Catefica mosses are diverse, they all document the presence of taxa from the basal grade of moss phylogeny, and all fossils belong to lineages that diverged prior to the diversification of the Bryidae, the most diverse clade of living mosses.

en: Synchrotron radiation X-ray tomographic microscopy datasets for Early Cretaceous mosses from the Catefica mesofossil flora, Portugal

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en: The goal of the proposed experiment is to visualize and quantitatively describe the melt pool formation, its dynamics and formation of defects during Selective Laser Melting (SLM) manufacturing of alumina using operando synchrotron tomography. SLM manufacturing is a complex process that due to extremely fast melting, solidification and cooling cannot be explained by classical thermodynamic analysis.  This experiment will provide information, which was not accessible so far, but is a key to advance our understanding in laser additive manufacturing. For this purpose, an in-house built miniaturized SLM device for 3D printing alumina will be installed and used at the TOMCAT beamline for the first operando 3D imaging experiment, which will give direct insight into melt pool dynamics and defect formation occurring during SLM manufacturing

en: High-resolution time-resolved tomography of Selective Laser Melting of alumina


en: Data to reproduce the experiments described in the paper: "Image2Reg: Linking Chromatin Images to Gene Regulation using Genetic perturbations screens" by Daniel Paysan, Adityanarayanan Radhakrishnan, G.V. Shivashankar and Caroline Uhler. The raw imaging data from Rohban et al. (2017) and from the Joint Undertaking in Morphological Profiling Cell Painting Consortium (Chandrasekaran et al., 2023) used in the study was obtained from IDR0033 available at "http://idr-demo.openmicroscopy.org/webclient/?show=screen-1751" , respectively from the Cell Painting Gallery on the Registry of Open Data on AWS "https://registry.opendata.aws/cellpainting-gallery/". Please note that these data resources need to be appropriately referenced if this dataset is used. Please refer to the above mentioned paper for a complete list of the used data sets.

en: Data set for the manuscript: Image2Reg - Linking Chromatin Images to Gene Regulation using Genetic Perturbation Screens


en: We present a detailed study of the magnetic, spectroscopic and structural properties of ultrathin LaMnO3 films deposited on SrTiO3(001) substrates by oxide molecular beam epitaxy. We find that the as-grown LaMnO3 films are slightly reduced and present a significant magnetic moment, while annealing to 600 oC fully oxidises and enhances its magnetic properties. From synchrotron x-ray photoemission spectromicroscopy, we find the presence of Sr, Ca and Si in the LaMnO3 film that diffuse from the SrTiO3 substrate; these impurities act as hole dopants, and can explain the presence of ferromagnetism in LaMnO3. This work highlights the importance of cation mobility at the elevated growth temperature in modifying the magnetic properties of ultrathin LaMnO3 films.

en: Role of interdiffusion on the magnetism of ultrathin LaMnO3 films


en: Acoustic levitation has attracted attention in terms of chemical and biochemical analysis in combination with various analytical methods because of its unique container-less environment for samples that is not reliant on specific material characteristics. However, loading samples with very high viscosity is difficult. To expand the scope, we propose the use of polymer thin films as sample holders, whereby the sample is dispensed on a film that is subsequently loaded onto an acoustic levitator. When applied for protein crystallography experiments, rotation controllability and positional stability are important prerequisites. We therefore study the acoustic levitation and rotation of thin films with an aspect ratio (the diameter-to-thickness ratio) of 80–240, which is an order of magnitude larger than those reported previously. For films with empirically optimized shapes, we find that it is possible to control the rotation speed in the range of 1–4 rotations per second while maintaining a positional stability of 12 ± 5 µm. The acoustic radiation force acting on the films is found to be a factor of 26–30 higher than that for same-volume water droplets. We propose use cases of the developed films for protein crystallography experiments and demonstrate data collections for large single crystal samples at room temperature.

en: Data for Acoustic levitation and rotation of thin films and their application for room temperature protein crystallography


en: The small size, the location (embedded in the temporal bone), and the tiny movements of the three ossicles of the human middle ear make the study of sound transmission through the human auditory system extremely challenging. From the encouraging results of our previous investigations with dynamic synchrotron-based phase-contrast microtomography (proposal 20200954), we aim to further characterize the biomechanics of the human middle ear. The goal is to stimulate the middle ear with a broad range of sound frequencies, covering a wider spectrum of the human voice, together with a range of sound intensities meeting physiological criteria.

en: DYNAMITE: DYNamic phAse-contrast MIcro-Tomography of the human middle Ear


en:
Ductal carcinoma in situ (DCIS) is a pre-invasive tumor that can give rise to invasive breast cancer, a
leading cause of cancer death. We generated a large-scale tissue microarray imaging dataset, stained for
chromatin using DAPI, from 560 tissue samples from 122 patients at 3 disease stages and 11 phenotypic
categories of the tumor during DCIS progression. We investigated what cell or tissue features mark DCIS
progression and if such features could be obtained from chromatin images alone without the use of
highly multiplexed staining or high-throughput sequencing. Using unsupervised representation learning
methods, we identified eight distinct morphological cell states just based on the chromatin images and
showed that these distinct cell states were associated with interpretable nuclear and chromatin features.
All cell states were observed in all 3 disease stages and 11 phenotypic categories with different
proportions, indicating that cell states that are enriched in invasive cancer already exist in small fractions
in normal breast tissue. Tissue-level analysis revealed that the spatial organization of the cell states, in
terms of a cell state’s position relative to the ducts and relative to each other, were significantly altered
during DCIS progression. Importantly, we showed that disease stage and phenotypic category could be
accurately predicted just based on statistics of cell state neighborhoods. Collectively, our analysis
demonstrates that chromatin imaging represents a powerful measure of cell state and disease stage of
DCIS, thereby providing a simple and effective imaging-based biomarker for tumor progression.

en: Imaging data related to the paper "Unsupervised representation learning of chromatin images identifies changes in cell state and tissue organization during DCIS progression"

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: Many environmental and industrial processes depend on how fluids displace each other in porous materials. However, the flow dynamics that govern this process are still poorly understood. This dataset introduces a novel 4D micro-velocimetry method to study this, based on tracking flow-tracing micro-particles  (silver-coated hollow glass spheres of 10 µm diameter) using high-resolution X-ray computed tomography with fast imaging rates. The measurement was done at the TOMCAT beamline of the Swiss Light Source. The dataset pertains to unsteady-state multiphase flow in a porous sintered glass filter sample, in which a non-wetting phase (silicon oil) was injected at constant rate to displace the wetting phase (water doped with potassium iodide: 10%wt KI brine). The tracer particles were dispersed in the non-wetting phase. The dataset spans a time window of 50 seconds during which 200 tomograms were acquired (i.e. 4 Hz imaging rate), each with a 2.75 micrometer voxel size. During this time window, the dynamics prior, during and after a Haines jump were captured. We provide reconstructions without phase retrieval which maximize the contrast between the tracer particles and the non-wetting phase, and reconstructions with Paganin phase retrieval that maximize the contrast between the non-wetting and the wetting phase. The data shows that Haines jumps cause perturbations to the 3D flow field in the porous medium and makes it possible to investigate the non-equilibrium energy dynamics.

en: 4D X-ray micro-velocimetry data of multiphase flow perturbations in porous media

en: PSI Data Catalog


en: We report the observation of fully magnetically polarized ultrathin La0.8Sr0.2MnO3 films by using LaMnO3 and La0.45Sr0.55MnO3 buffer layers grown epitaxially on SrTiO3(001) substrates by molecular beam epitaxy. Specifically, we show that La0.8Sr0.2MnO3 films grown on 12-unit-cell LaMnO3 have bulk-like magnetic moments starting from a single unit cell thickness, while for the 15-unit-cell La0.45Sr0.55MnO3 buffer layer, the La0.8Sr0.2MnO3 transitions from an antiferromagnetic state to a fully spin-polarized ferromagnetic state at 4 unit cells. The magnetic results are confirmed by X-ray magnetic circular dichroism, while linear dichroic measurements carried out for the La0.8Sr0.2MnO3/La0.45Sr0.55MnO3 series show the presence of an orbital reorganization at the transition from the antiferromagnetic to ferromagnetic state corresponding to a change from a preferred in-plane orbital hole occupancy, characteristic of the A-type antiferromagnetic state of La0.45Sr0.55MnO3, to preferentially out of plane. We interpret our findings in terms of the different electronic charge transfers between the adjacent layers, confined to the unit cell in the case of insulating LaMnO3 and extended to a few unit cells in the case of conducting La0.45Sr0.55MnO3. Our work demonstrates an approach to growing ultrathin mixed-valence manganite films that are fully magnetically polarized from the single unit cell, paving the way to fully exploring the unique electronic properties of this class of strongly correlated oxide materials.

en: Fully Magnetically Polarized Ultrathin La0.8Sr0.2MnO3 Films

en: Environment


en:
001 - UV-Vis spectra JSR1 reconstituted with all-trans retinal, 9-cis retinal, ATR6.11 and 9CR6.11
002 - UV-Vis spectra of JSR1 reconstituted with ATR6.11 and 9CR6.11, before and after acid denaturation
003 - UV-Vis spectra of JSR1 reconstituted with ATR6.11, after addition of hydroxylamine
004 - UV-Vis spectra of JSR1 reconstituted with 9CR6.11, after addition of hydroxylamine
005 - UV-Vis spectra of illuminated JSR/ATR6.11 and JSR/9CR6.11
006 - GTPase Glo Assay data measuring catalysis of nucleotide exchange in human G protein heterotrimers by JSR1/ATR6.11, JSR/9CR6.11 and JSR/9-cis retinal, with and without illumination
007 - Size exclusion chromatograms JSR1/ATR6.11 after incubations with human Gi or human Gq heterotrimers
008 - SDS-PAGE analysis of size exclusion chromatography peaks with JSR/ATR6.11 and human Gi or human Gq heterotrimers

en: Datasets relating to characterisation of Jumping Spider Rhodopsin-1 after reconstitution with retinal and retinal analogues


en: Reconstruction code for burst ptychography and tomography used at the at the cSAXS beamline, Swiss Light Source in Paul Scherrer Institute.

en: X-ray Tomography of a Data Processing Chip at 4 nm Resolution


en: Data of a computer chip obtained by using Ptychographic X-ray computed tomography (PXCT) with a 4.2 nm voxel size in 3D. The sample pillar diameter was 5 micrometers and the sample was acquired at the cSAXS beamline, Swiss Light Source in Paul Scherrer Institute.


en:
Two-dimensional magnetic materials attract a lot of attention since
they potentially exhibit new magnetic properties due to, e.g., strongly
enhanced spin fluctuations. However, the suppression of the long-range
magnetic order in two dimensions due to long-wavelength spin fluctuations,
as suggested by the Mermin-Wagner theorem, has been questioned
for finite-size laboratory samples. Here we study the magnetic properties
of a dimensional crossover in superlattices composed of the antiferromagnetic
LaFeO3 and SrTiO3 that, thanks to their large lateral size, allowed
examination using a sensitive magnetic probe — muon spin rotation spectroscopy.
We show that the iron electronic moments in superlattices with
3 and 2 monolayers of LaFeO3 exhibit a static antiferromagnetic order. In
contrast, in the superlattices with single LaFeO3 monolayer, the moments
do not order and fluctuate to the lowest measured temperature as expected
from the Mermin-Wagner theorem. Our work shows how dimensionality
can be used to tune the magnetic properties of ultrathin films.

en: Magnetic properties of LaFeO3/SrTiO3 superlattices


en: In this work, we map the charge carrier concentration as a function of depth and electric field across the SiO2/Si interface up to a depth of 100 nm in Si-based MOS capacitors using low-energy muons. The results show that the formation of the anisotropic bond-centered muonium MuBC state in Si serves as a direct measure of the local changes in electronic structures, which were detected and scanned for a range of depths. In general, any muonium state in a semiconductor can be used as a sensitive probe for the presence of free charge carriers. Therefore, our work represents a significant extension of the application of the muon spin rotation technique (μSR) and lays the foundation for further research on direct observation of charge carrier density manipulation at technologically important semiconductor device interfaces.

en: Charge carrier distribution observation and manipulation in Si-MOS


en: The evolution of the magnetic ground state of ultrathin 0–10 unit cells (uc) thick La0.8Sr0.2MnO3 films interfaced to an antiferromagnetic La0.45Sr0.55MnO3/SrTiO3(001) buffer layer was investigated with x-ray photoemission electron microscopy. For 0–3 uc La0.8Sr0.2MnO3, we observe antiferromagnetic domains but no ferromagnetic contrast, showing that nominally ferromagnetic La0.8Sr0.2MnO3 adopts the antiferromagnetic ground state of the buffer layer. For larger thicknesses, ferromagnetic domains emerge, confirming that the additional layers revert to the ferromagnetic ground state. We also observe a drastic increase in the complexity of the domain configuration between 3 and 5 uc, which we attribute to competing magnetic and electronic ground states in the system. We attribute the interfacial modified magnetic ground state to charge sharing at the interface due to the chemical potential mismatch, which leads to hole doping at the La0.8Sr0.2MnO3 interface. The present work sheds light on the impact of charge sharing at the interface of complex oxide materials, in particular on the magnetic and electronic states, and presents a strategy for modulating the electronic ground state properties at metallic interfaces.

en: Charge-exchange-driven interfacial antiferromagnetic ground state in La0.8Sr0.2MnO3 ultrathin films


en:
Tomographic data set of dynamic liquid water injection into SGL 24 BA gas diffusion layer

Data collected at TOMCAT beamline of SLS.

en: Tomographic data set of dynamic liquid water injection into SGL 25 BA gas diffusion layer

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.

lamibracmularczyk-paper

display_name: lamibracmularczyk-paper

liquid-injection

display_name: liquid-injection

sgl

display_name: sgl

tomcat

display_name: tomcat


en:
Tomography data published in A. Mularczyk et al. (2020). 'Droplet and Percolation Network Interactions in a Fuel Cell Gas Diffusion Layer', Journal of The Electrochemical Society 167(8): 084506.  https://doi.org/10.1149/1945-7111/ab8c85
#####
The tomographic data of liquid water observed in the flow field channel was used also in Andersson, M., et al. (2018). "Modeling and synchrotron imaging of droplet detachment in gas channels of polymer electrolyte fuel cells." Journal of Power Sources 404: 159-171. https://doi.org/10.1016/j.jpowsour.2018.10.021
###### The tomographic data of liquid water observed in the GDL and flow field channel was also used in Niblett, D., et al. (2020). "Two-phase flow dynamics in a gas diffusion layer - gas channel - microporous layer system." Journal of Power Sources 471: 228427.  https://doi.org/10.1016/j.jpowsour.2020.228427
###### A small ROI segmentation around the water cluster in GDL of this dataset can be accessed under https://doi.org/10.16907/13dc29a3-733b-419b-ad61-838d17ddfa47
###### The Large ROI segmentation of this dataset can be accessed under https://doi.org/10.16907/a27fda1c-e6bb-47f0-ba14-31b407179756

en: Tomographic data set of dynamic liquid water injection into SGL 25 BA gas diffusion layer: Raw reconstruction

en: PSI Data Catalog


en:
Tomography data published in A. Mularczyk et al. (2020). 'Droplet and Percolation Network Interactions in a Fuel Cell Gas Diffusion Layer', Journal of The Electrochemical Society 167(8): 084506. https://doi.org/10.1149/1945-7111/ab8c85
###### The tomographic data of liquid water observed in the flow field channel was used also in Andersson, M., et al. (2018). "Modeling and synchrotron imaging of droplet detachment in gas channels of polymer electrolyte fuel cells." Journal of Power Sources 404: 159-171. https://doi.org/10.1016/j.jpowsour.2018.10.021
###### The tomographic data of liquid water observed in the GDL and flow field channel was also used in Niblett, D., et al. (2020). "Two-phase flow dynamics in a gas diffusion layer - gas channel - microporous layer system." Journal of Power Sources 471: 228427.  https://doi.org/10.1016/j.jpowsour.2020.228427
###### A small ROI segmentation around the water cluster in GDL of this dataset can be accessed under https://doi.org/10.16907/13dc29a3-733b-419b-ad61-838d17ddfa47
###### The Raw CT data of this dataset can be accessed under https://doi.org/10.16907/63ac1a63-8ab6-4a92-be5a-db499c9e7e6a

en: Tomographic data set of dynamic liquid water injection into SGL 25 BA gas diffusion layer: Large ROI segmentation

envi

en: Environment


en:
Tomography data published in A. Mularczyk et al. (2020). 'Droplet and Percolation Network Interactions in a Fuel Cell Gas Diffusion Layer', Journal of The Electrochemical Society 167(8): 084506. https://doi.org/10.1149/1945-7111/ab8c85
######
The tomographic data of liquid water observed in the flow field channel was used also in Andersson, M., et al. (2018). "Modeling and synchrotron imaging of droplet detachment in gas channels of polymer electrolyte fuel cells." Journal of Power Sources 404: 159-171. https://doi.org/10.1016/j.jpowsour.2018.10.021
###### The tomographic data of liquid water observed in the GDL and flow field channel was also used in Niblett, D., et al. (2020). "Two-phase flow dynamics in a gas diffusion layer - gas channel - microporous layer system." Journal of Power Sources 471: 228427.  https://doi.org/10.1016/j.jpowsour.2020.228427

######
The Large ROI segmentation of this dataset can be accessed under 	https://doi.org/10.16907/a27fda1c-e6bb-47f0-ba14-31b407179756
######
The Raw CT data of this dataset can be accessed under 	https://doi.org/10.16907/63ac1a63-8ab6-4a92-be5a-db499c9e7e6a

en: Tomographic data set of dynamic liquid water injection into SGL 25 BA gas diffusion layer: SmallROI segmentation


en: We investigate solvent effects in the hydrodeoxygenation of 4-propylguaiacol (4PG, 166 amu), a key lignin-derived monomer, over Ru/C catalyst by combined operando synchrotron photoelectron photoion coincidence (PEPICO) spectroscopy and molecular dynamics simulations. With and without isooctane co-feeding, ring-hydrogenated 2-methoxy-4-propylcyclohexanol (172 amu) is the first product, due to the favorable flat adsorption configuration of 4PG on the catalyst surface. In contrast, tetrahydrofuran (THF)—a polar aprotic solvent that is representative of those used for lignin solubilization and upgrading—strongly coordinates to the catalyst surface at the oxygen atom. This induces a local steric hindrance, blocking the flat adsorption of 4PG more effectively, as it needs more Ru sites than the tilted adsorption configuration revealed by molecular dynamics simulations. Therefore, THF suppresses benzene ring hydrogenation, favoring a demethoxylation route that yields 4-propylphenol (136 amu), followed by dehydroxylation to propylbenzene (120 amu). Solvent selection may provide new avenues to controlling catalytic selectivity.

en: Dataset: A Solution for 4-Propylguaiacol Hydrodeoxygenation without Ring Saturation


en: Morphology and defects in 3D self-assembled diamond networks


en: The resonant excitation of electronic transitions with coherent laser sources creates quantum coherent superpositions of the involved electronic states. Most time-resolved studies have focused on gases or isolated subsystems embedded in insulating solids, aiming for applications in quantum information1–6. Here, we focus on the coherent control of orbital wavefunctions in the correlated quantum material Tb2Ti2O7, which forms an interacting spin liquid ground state. We show that resonant excitation with a strong THz pulse creates a coherent superposition of the lowest energy Tb 4f states. The coherence manifests itself as a macroscopic oscillating magnetic dipole, which is detected by ultrafast resonant x-ray diffraction. We envision the coherent control of orbital wavefunctions demonstrated here to become a new tool for the ultrafast manipulation and investigation of quantum materials.

en: Coherent control of rare earth 4f shell wavefunctions in the quantum spin liquid Tb2Ti2O7 Source Data


en: The interaction of magnetic order and spontaneous polarization is a fundamental coupling with the prospect for the control of electronic properties and magnetism. The connection among magnetic order, charge localization and associated metal-insulator transition (MIT) are cornerstones for materials control. Materials that combine both effects are therefore of great interest for testing models that claim the occurrence of spontaneous polarization from and magnetic charge order. One class of materials proposed to combine these functionalities is the family of RNiO3 (R: lanthanide or Y), whose members show a clear MIT and an antiferromagnetic ground state and for which an electric polarization has been predicted. Using resonant magnetic x-ray scattering with circular polarization and an applied electric field we show that YNiO3 possess a magnetic structure containing domains of spin-rotations that are consistent with an electric polarization. We show a reversal of the magnetic structure with the applied electric field confirming that charge ordered RNiO3 are magnetoelectric type II multiferroics with a MIT.

en: Magnetoelectric effect in multiferroic nickelate perovskite YNiO3


en: The data is part of a manuscript submitted to the journal Green Chemistry, entitled "Catalytic pyrolysis mechanism of lignin moieties driven by aldehyde, hydroxyl, methoxy, and allyl functionalization: the role of reactive quinone methide and ketene intermediates". [DOI https://doi.org/10.1039/d4gc03143a. This work is supported by the Swiss National Science Foundation (project number 200021_178952)

en: Dataset: Catalytic pyrolysis mechanism of lignin moieties driven by aldehyde, hydroxyl, methoxy, and allyl functionalization: the role of reactive quinone methide and ketene intermediates


en: Understanding the biomechanics of the human middle ear remains a challenge, primarily due to the auditory ossicles’ size, its location in the temporal bone, and subtle movements. In a recent study, dynamic synchrotron-based X-ray microtomography has been used on acoustically stimulated intact human ears, allowing the three-dimensional visualization of the ossicular chain in intact human ears for the first time. The implementation of a dedicated analysis pipeline has demonstrated the ability to resolve fast micromotions at 128 Hz for two acoustic stimuli (110 and 120 dB Sound Pressure Level (SPL)) on fresh-frozen human temporal bones. Measuring at lower sound pressure levels is challenging, because the ossicular vibrations become smaller, and the spatial resolution limit of the current detection system is reached. Increasing the spatial resolution without compromising the image quality or the temporal resolution would significantly extend the dynamic imaging capabilities. Here, a comparative study is conducted for a stimulation frequency of 128 Hz at 120 dB SPL between two synchrotron-based X-ray magnification setups: a 4x high NA macroscope (pixel size 2.75 \textmu m) versus a x10 high NA microscope (pixel size 1.1 \textmu m) in combination with the GigaFRoST fast read-out detector. It shows that an increase in resolution can indeed improve the detection of the micromovements, at the compromise of a more limited field of view.

en: High-resolution dynamic synchrotron-based X-ray microtomography of the human middle ear

en: The PSI Data Catalog is the central repository directory for scientific metadata generated at the Paul Scherrer Institut (PSI). Powered by SciCat—a community-driven, open-source metadata management framework co-developed by PSI—the catalog provides discoverability and standardized access pathways to petabyte-scale datasets produced across PSI’s large-scale research facilities, including the Swiss Light Source (SLS), the Swiss Spallation Neutron Source (SINQ), and the SwissFEL X-ray free-electron laser.


en: In this paper we present a model system built out of artificially layered materials, allowing us to understand the interrelation of magnetic phases with the metallic-insulating phase at long length scales, and enabling new strategies for the design and control of materials in devices. The artificial model system consists of superlattices made of SmNiO3 and NdNiO3 layers, – two members of the fascinating rare earth nickelate family, having different metal-to-insulator and magnetic transition temperatures. By combining two complementary techniques—resonant elastic x-ray scattering and muon spin relaxation—we show how the magnetic order evolves, in this complex multicomponent system, as a function of temperature and superlattice periodicity. We demonstrate that the length scale of the coupling between the antiferromagnetic and paramagnetic phases is longer than that of the electronic metal-insulator phase transition—despite being subsidiary to it. This can be explained via a Landau theory—where the bulk magnetic energy plus a gradient cost between magnetic and nonmagnetic phases is considered. These results provide a clear understanding of the coupling of magnetic transitions in systems sharing identical order parameters.

en: Coupling of magnetic phases at nickelate interfaces (SNO-NNO)

en: PSI Data Catalog


en: In this study, we explore the intricate interplay between the electronic properties within the solid and field emission beams characteristics. By examining the fundamental principles governing field emission, we investigate how transverse momentum impact the propagation of the emitted electron beams. We demonstrate that transverse momentum and the spatial coherence of the emission source significantly affect beam properties, leading to notable changes in interference patterns.

en: Beam Divergence and Interference Characteristics of Field Emission Beam

en: Environment


en: Acoustic tweezers comprising a surface acoustic wave chip and a disposable silicon microfluidic chip are potentially advantageous to stable and cost-effective acoustofluidic experiments while avoiding the cross-contamination by reusing the surface acoustic wave chip and disposing of the microfluidic chip. For such a device, it is important to optimize the chip-to-chip bonding and the size and shape of the microfluidic chip to enhance the available acoustic pressure. In this work, aiming at studying samples with the size of a few tens of microns, we explore the device structure and assembly method of acoustic tweezers. By using a polymer bonding layer and shaping the silicon microfluidic chip via deep reactive ion etching, we were able to attain the acoustic pressure up to 2 MPa with a corresponding acoustic radiation pressure of 0.2 kPa for 50 MHz ultrasound, comparable to reported values at lower ultrasound frequencies. We utilized the fabricated acoustic tweezers for non-contact viscoelastic deformation experiments of soft matter and  trapping of highly motile cells. These results suggests that the feasibility of the hybrid chip approach to attaining the high acoustic force required to conduct acoustomechanical testing of small soft matters and cells.

en: Dataset for Surface-acoustic-wave driven silicon microfluidic chips for acoustic tweezing of motile cells and viscoelastic microbeads


en: Resonant X-ray diffraction (RXD) provides a unique capability to investigate electronic ordered states in matter. The circular dichroism in RXD can determine the absolute chirality formed by anisotropic multipole arrangement. Here, we demonstrate that the scattering interference between distinct atomic electric multipoles can create circular contrast in resonant RXD even in a non-chiral crystal. These general considerations are applied to 1T-TiSe2, where recently reported circular dichroism in RXD was used to claim chiral charge density wave order. We show that the experimental observations are well reproduced by our ab initio calculations on the basis of the centrosymmetric crystal structure. Our results not only illuminate a way for a better understanding of possible chiral electronic order but also propose a general approach to extract buried high-order atomic multipoles via circular contrast in RXD. Besides, we discuss the difference in the circular dichroism of RXD originated by crystal chirality in chiral crystals and the interference effect in non-chiral crystals.

en: Non-chiral 1T-TiSe2 creates circular dichroism in resonant X-ray diffraction via multipole scattering interference


en: In the corresponding article to these data sets, we explore the flow dynamics for two-phase flow in a porous medium (a bioclastic carbonate rock). We use state-of-the-art synchrotron X-ray tomography to capture the fluid dynamics within the pore space, with a temporal resolution of 1 s. The rock sample was initially saturated with brine (DI water doped with 15%wt. KI) before brine and nitrogen gas were injected simultaneously. As the gas establishes a path through the pore space, the flow dynamics are transient. Eventually, an equilibrium is established, where the gas saturation oscillates about a constant mean value; this is referred to as steady state. There are 9 data sets, with all the dynamics captured during steady state. We explore 3 total flow rates (brine flow rate + nitrogen flow rate): 0.1ml/min, 0.4ml/min, 0.7ml/min. With 3 fractional flows (brine flow rate / total flow rate) explored for each total flow rate: 0.85, 0.7 and 0.5. The images were captured with a voxel size of 2.75 µm3. In these data sets we observe the development of intermittent flow pathways, and the stability of these pathways when perturbed by a change in the flow rate .

en: Dynamic fluid interface rearrangement during steady-state multiphase flow in rocks


en: This dataset contains tomographic data (grayscale and segmented) of the commercial Fumasep bipolar membrane assembled in a CO2-electrolyzer. One sample is a fully functional cell, while the other does not contain catalyst layers to avoid metal artifacts. The samples were imaged in dry and water saturated state.

en: Laboratory source X-ray tomographic microscopy of bipolar membrane swelling in an assembled CO2-electrolyzer