EEG alpha and theta time-frequency structure during a written mathematical task.

Since the first electroencephalogram (EEG) was obtained, there have been many possibilities to use it as a tool to access brain cognitive dynamics. Mathematical (Math) problem solving is one of the most important cortical processes, but it is still far from being well understood. EEG is an inexpensive and simple indirect measure of brain operation, but only recently has low-cost equipment (mobile EEG) allowed sophisticated analyses in non-clinical settings. The main purpose of this work is to study EEG activation during a Math task in a realistic environment, using mobile EEG. A matching pursuit (MP)-based signal analysis technique was employed, since MP properties render it a priori suitable to study induced EEG activity over long time sequences, when it is not tightly locked to a given stimulus. The study sample comprised sixty healthy volunteers. Unlike the majority of previous studies, subjects were studied in a sitting position with their eyes open. They completed a written Math task outside the EEG lab, wearing a mobile EEG device (EPOC+). Theta [4 Hz-7.5 Hz], alpha (7.5 Hz-13 Hz] and 0.5 Hz micro-bands in the [0.5 Hz-20 Hz] range were studied with a low-density stochastic MP dictionary. Over 1-min windows, ongoing EEG alpha and theta activity was decomposed into numerous MP atoms with median duration around 3 s, similar to the duration of induced, time-locked activity obtained with event-related (des)synchronization (ERS/ERD) studies. Relative to Rest, there was lower right-side and posterior MP alpha atom/min during Math, whereas MP theta atom/min was significantly higher on anteriorly located electrodes, especially on the left side. MP alpha findings were particularly significant on a narrow range around 10 Hz-10.5 Hz, consistent with FFT alpha peak findings from ERS/ERD studies. With a streamlined protocol, these results replicate previous findings of EEG alpha and theta activation obtained during Math tasks with different signal analysis techniques and in different time frames. The efficient application to real-world, noisy EEG data with a low-resolution stochastic MP dictionary shows that this technique is very encouraging. These results provide support for studies of mathematical cognition with mobile EEG and matching pursuit.

iMPI: portable human-sized magnetic particle imaging scanner for real-time endovascular interventions.

Minimally invasive endovascular interventions have become an important tool for the treatment of cardiovascular diseases such as ischemic heart disease, peripheral artery disease, and stroke. X-ray fluoroscopy and digital subtraction angiography are used to precisely guide these procedures, but they are associated with radiation exposure for patients and clinical staff. Magnetic Particle Imaging (MPI) is an emerging imaging technology using time-varying magnetic fields combined with magnetic nanoparticle tracers for fast and highly sensitive imaging. In recent years, basic experiments have shown that MPI has great potential for cardiovascular applications. However, commercially available MPI scanners were too large and expensive and had a small field of view (FOV) designed for rodents, which limited further translational research. The first human-sized MPI scanner designed specifically for brain imaging showed promising results but had limitations in gradient strength, acquisition time and portability. Here, we present a portable interventional MPI (iMPI) system dedicated for real-time endovascular interventions free of ionizing radiation. It uses a novel field generator approach with a very large FOV and an application-oriented open design enabling hybrid approaches with conventional X-ray-based angiography. The feasibility of a real-time iMPI-guided percutaneous transluminal angioplasty (PTA) is shown in a realistic dynamic human-sized leg model.

Synthesis and Structure of the Double-Layered Sillén-Aurivillius Perovskite Oxychloride La2.1Bi2.9Ti2O11Cl as a Potential Photocatalyst for Stable Visible Light Solar Water Splitting.

Exploring photocatalysts for solar water splitting is a relevant step toward sustainable hydrogen production. Sillén-Aurivillius-type compounds have proven to be a promising material class for photocatalytic and photoelectrochemical water splitting with the advantage of visible light activity coupled to enhanced stability because of their unique electronic structure. Especially, double- and multilayered Sillén-Aurivillius compounds [An-1BnO3n+1][Bi2O2]2Xm, with A and B being cations and X a halogen anion, offer a great variety in material composition and properties. Yet, research in this field is limited to only a few compounds, all of them containing mainly Ta5+ or Nb5+ as cations. This work takes advantage of the outstanding properties of Ti4+ demonstrated in the context of photocatalytic water splitting. A fully titanium-based oxychloride, La2.1Bi2.9Ti2O11Cl, with a double-layered Sillén-Aurivillius intergrowth structure is fabricated via a facile one-step solid-state synthesis. A detailed crystal structure analysis is performed via powder X-ray diffraction and correlated to density functional theory calculations, providing a detailed understanding of the site occupancies in the unit cell. The chemical composition and the morphology are studied using scanning and transmission electron microscopy together with energy-dispersive X-ray analysis. The capability of the compound to absorb visible light is demonstrated by UV-vis spectroscopy and analyzed by electronic structure calculations. The activity toward the hydrogen and the oxygen evolution reaction is evaluated by measuring anodic and cathodic photocurrent densities, oxygen evolution rates, and incident-current-to-photon efficiencies. Thanks to the incorporation of Ti4+, this Sillén-Aurivillius-type compound enables best-in-class photoelectrochemical water splitting performance at the oxygen evolution side under visible light irradiation. Thus, this work highlights the potential of Ti-containing Sillén-Aurivillius-type compounds as stable photocatalysts for visible light-driven solar water splitting.

Non-invasive assessment of Pulse Wave Transit Time (PWTT) is a poor predictor for intraoperative fluid responsiveness: a prospective observational trial (best-PWTT study).

BACKGROUND: Aim of this study is to test the predictive value of Pulse Wave Transit Time (PWTT) for fluid responsiveness in comparison to the established fluid responsiveness parameters pulse pressure (ΔPP) and corrected flow time (FTc) during major abdominal surgery. METHODS: Forty patients undergoing major abdominal surgery were enrolled with continuous monitoring of PWTT (LifeScope® Modell J BSM-9101 Nihon Kohden Europe GmbH, Rosbach, Germany) and stroke volume (Esophageal Doppler Monitoring CardioQ-ODM®, Deltex Medical Ltd, Chichester, UK). In case of hypovolemia (difference in pulse pressure [∆PP] ≥ 9%, corrected flow time [FTc] ≤ 350 ms) a fluid bolus of 7 ml/kg ideal body weight was administered. Receiver operating characteristics (ROC) curves and corresponding areas under the curve (AUCs) were used to compare different methods of determining PWTT. A Wilcoxon test was used to discriminate fluid responders (increase in stroke volume of ≥ 10%) from non-responders. The predictive value of PWTT for fluid responsiveness was compared by testing for differences between ROC curves of PWTT, ΔPP and FTc using the methods by DeLong. RESULTS: AUCs (area under the ROC-curve) to predict fluid responsiveness for PWTT-parameters were 0.61 (raw c finger Q), 0.61 (raw c finger R), 0.57 (raw c ear Q), 0.53 (raw c ear R), 0.54 (raw non-c finger Q), 0.52 (raw non-c finger R), 0.50 (raw non-c ear Q), 0.55 (raw non-c ear R), 0.63 (∆ c finger Q), 0.61 (∆ c finger R), 0.64 (∆ c ear Q), 0.66 (∆ c ear R), 0.59 (∆ non-c finger Q), 0.57 (∆ non-c finger R), 0.57 (∆ non-c ear Q), 0.61 (∆ non-c ear R) [raw measurements vs. ∆ = respiratory variation; c = corrected measurements according to Bazett's formula vs. non-c = uncorrected measurements; Q vs. R = start of PWTT-measurements with Q- or R-wave in ECG; finger vs. ear = pulse oximetry probe location]. Hence, the highest AUC to predict fluid responsiveness by PWTT was achieved by calculating its respiratory variation (∆PWTT), with a pulse oximeter attached to the earlobe, using the R-wave in ECG, and correction by Bazett's formula (AUC best-PWTT 0.66, 95% CI 0.54-0.79). ∆PWTT was sufficient to discriminate fluid responders from non-responders (p = 0.029). No difference in predicting fluid responsiveness was found between best-PWTT and ∆PP (AUC 0.65, 95% CI 0.51-0.79; p = 0.88), or best-PWTT and FTc (AUC 0.62, 95% CI 0.49-0.75; p = 0.68). CONCLUSION: ΔPWTT shows poor ability to predict fluid responsiveness intraoperatively. Moreover, established alternatives ΔPP and FTc did not perform better. TRIAL REGISTRATION: Prior to enrolement on clinicaltrials.gov (NC T03280953; date of registration 13/09/2017).

Substrate-Enabled Room-Temperature Electrochemical Deposition of Crystalline ZnMnO3.

Mixed transition metal oxides have emerged as promising electrode materials for electrochemical energy storage and conversion. To optimize the functional electrode properties, synthesis approaches allowing for a systematic tailoring of the materials' composition, crystal structure and morphology are urgently needed. Here we report on the room-temperature electrodeposition of a ternary oxide based on earth-abundant metals, specifically, the defective cubic spinel ZnMnO3 . In this unprecedented approach, ZnO surfaces act as (i) electron source for the interfacial reduction of MnO4 - in aqueous solution, (ii) as substrate for epitaxial growth of the deposit and (iii) as Zn precursor for the formation of ZnMnO3 . Epitaxial growth of ZnMnO3 on the lateral facets of ZnO nanowires assures effective electronic communication between the electroactive material and the conducting scaffold and gives rise to a pronounced 2-dimensional morphology of the electrodeposit forming - after partial delamination from the substrate - twisted nanosheets. The synthesis strategy shows promise for the direct growth of different mixed transition metal oxides as electroactive phase onto conductive substrates and thus for the fabrication of binder-free nanocomposite electrodes.

Susceptibility Tests and Predictions of Transporter Profile in Serratia Species.

Disinfectants and biosecurity are critically important to control microbial diseases. Resistance to disinfectants compromises sectors such as agriculture and healthcare systems. Currently, efflux pumps are the most common mechanism of antimicrobial resistance. This study aimed to identify the efflux transporters responsible for disinfectant resistance in a multidrug-resistant isolate Serratia sp. HRI compared to a susceptible Serratia sp. type strain. An efflux system profile was generated using the Transporter Automatic Annotation Pipeline (TransAAP) for both isolates. Thereafter, the efflux pump inhibitors, reserpine (RSP) and carbonyl cyanide 3-chlorophenylhydrazone (CCCP) were used to reveal the role of efflux pumps in susceptibility to three disinfectants (Didecyldimethylammonium chloride, HyperCide®, and benzalkonium chloride). Interestingly, the resistant isolate had fewer efflux systems in total compared to the type strain and fewer efflux systems classified as resistance efflux pumps. After the addition of RSP, a significant reduction in resistance capabilities against all three antimicrobials was observed for both isolates. However, CCCP supplementation produced mixed results with some outcomes suggesting the involvement of the Eagle effect. This study provides evidence that efflux pumps are responsible for the disinfectant resistance phenotype of the Serratia species due to the increased susceptibility when efflux pump inhibitors are added.

Resolving the structure of V3O7·H2O and Mo-substituted V3O7·H2O.

Vanadate compounds, such as V3O7·H2O, are of high interest due to their versatile applications as electrode material for metal-ion batteries. In particular, V3O7·H2O can insert different ions such as Li+, Na+, K+, Mg2+ and Zn2+. In that case, well resolved crystal structure data, such as crystal unit-cell parameters and atom positions, are needed in order to determine the structural information of the inserted ions in the V3O7·H2O structure. In this work, fundamental crystallographic parameters, i.e. atomic displacement parameters, are determined for the atoms in the V3O7·H2O structure. Furthermore, vanadium ions were substituted by molybdenum in the V3O7·H2O structure [(V2.85Mo0.15)O7·H2O] and the crystallographic positions of the molybdenum ions and their oxidation state are elucidated.

Nanoscale transformations of amphiboles within human alveolar epithelial cells.

Amphibole asbestos is related to lung fibrosis and several types of lung tumors. The disease-triggering mechanisms still challenge our diagnostic capabilities and are still far from being fully understood. The literature focuses primarily on the role and formation of asbestos bodies in lung tissues, but there is a distinct lack of studies on amphibole particles that have been internalized by alveolar epithelial cells (AECs). These internalized particles may directly interact with the cell nucleus and the organelles, exerting a synergistic action with asbestos bodies (AB) from a different location. Here we document the near-atomic- to nano-scale transformations induced by, and taking place within, AECs of three distinct amphiboles (anthophyllite, grunerite, "amosite") with different Fe-content and morphologic features. We show that: (i) an Fe-rich layer is formed on the internalized particles, (ii) particle grain boundaries are transformed abiotically by the internal chemical environment of AECs and/or by a biologically induced mineralization mechanism, (iii) the Fe-rich material produced on the particle surface does not contain large amounts of P, in stark contrast to extracellular ABs, and (iv) the iron in the Fe-rich layer is derived from the particle itself. Internalized particles and ABs follow two distinct formation mechanisms reaching different physicochemical end-states.

Deep hydration of an Li7-3xLa3Zr2MIIIxO12 solid-state electrolyte material: a case study on Al- and Ga-stabilized LLZO.

Single crystals of an Li-stuffed, Al- and Ga-stabilized garnet-type solid-state electrolyte material, Li7La3Zr2O12 (LLZO), have been analysed using single-crystal X-ray diffraction to determine the pristine structural state immediately after synthesis via ceramic sintering techniques. Hydrothermal treatment at 150 °C for 28 d induces a phase transition in the Al-stabilized compound from the commonly observed cubic Ia-3d structure to the acentric I-43d subtype. LiI ions at the interstitial octahedrally (4 + 2-fold) coordinated 48e site are most easily extracted and AlIII ions order onto the tetrahedral 12a site. Deep hydration induces a distinct depletion of LiI at this site, while the second tetrahedral site, 12b, suffers only minor LiI loss. Charge balance is maintained by the incorporation of HI, which is bonded to an O atom. Hydration of Ga-stabilized LLZO induces similar effects, with complete depletion of LiI at the 48e site. The LiI/HI exchange not only leads to a distinct increase in the unit-cell size, but also alters some bonding topology, which is discussed here.

Multi-scale characterization of glaucophane from Chiavolino (Biella, Italy): implications for international regulations on elongate mineral particles.

In this paper, we present the results of a multi-analytical characterization of a glaucophane sample collected in the Piedmont region of northwestern Italy. Investigation methods included optical microscopy, powder X-ray diffraction, Fourier-transform infrared spectroscopy, µ-Raman spectroscopy, Mössbauer spectroscopy, electron probe microanalysis, environmental scanning electron microscopy and energy-dispersive X-ray spectroscopy, and scanning/transmission electron microscopy combined with energy-dispersive X-ray spectroscopy and electron energy-loss spectroscopy. In addition to the crystal-chemical characterization of the sample from the mesoscale to the near-atomic scale, we have also conducted an extended study on the morphology and dimensions of the mineral particles. The main finding is that studying the same particle population at different magnifications yields different results for mineral habit, dimensions, and dimensional distributions. As glaucophane may occur as an elongate mineral particle (e.g., asbestiform glaucophane occurrences in California and Nevada), the observed discrepancies therefore need to be considered when assessing potential breathability of such particles, with implications for future regulations on elongate mineral particles. While the sample preparation and particle counting methods are not directly investigated in this work, our findings suggest that different magnifications should be used when characterizing an elongate mineral particle population, irrespective of whether or not it contains asbestiform material. These results further reveal the need for developing improved regulation for elongate mineral particles. We thus propose a simple methodology to merge the datasets collected at different magnifications to provide a more complete description and a better risk evaluation of the studied particle population.

TIP - Training of Intensive medical support in the case of a Pandemic.

The COVID-19 pandemic has led to a short-term sharp increase in the demand for auxiliary staff in emergency rooms and intensive care units. Against this background student tutors of the Medical Faculty Erlangen have developed a training concept. The aim was to familiarize students in the clinical section quickly and effectively with skills that are particularly important in a clinical assignment as (student) assistant in the care of corona patients (e.g.: personal protective equipment, intubation assistance, arterial blood collection, assessment of blood gas values and ventilation parameters). In a blended learning concept, learning materials were prepared in advance and then implemented and deepened in a presence phase. The selection of learning materials and the low supervision ratio (1:2) made it possible to realize an internally differentiated approach. The offer met with great interest among students of all clinical semesters and was evaluated very positively. The skills learned can be applied widely even independently of a pandemic.

Modified H2 V3 O8 to Enhance the Electrochemical Performance for Li-ion Insertion: The Influence of Prelithiation and Mo-Substitution.

Nanostructured H2 V3 O8 is a promising high-capacity cathode material, suitable not only for Li+ but also for Na+, Mg2+ , and Zn2+ insertion. However, the full theoretical capacity for Li+ insertion has not been demonstrated experimentally so far. In addition, improvement of cycling stability is desirable. Modifications like substitution or prelithiation are possibilities to enhance the electrochemical performance of electrode materials. Here, for the first time, the substitution of vanadium sites in H2 V3 O8 with molybdenum was achieved while preserving the nanostructure by combining a soft chemical synthesis approach with a hydrothermal process. The obtained Mo-substituted vanadate nanofibers were further modified by prelithiation. While pristine H2 V3 O8 showed an initial capacity of 223 mAh g-1 and a retention of 79 % over 30 cycles, combining Mo substitution and prelithiation led to a superior initial capacity of 312 mAh g-1 and a capacity retention of 94 % after 30 cycles.

Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques.

Li7La3Zr2O12 (LLZO) is one of the potential candidates for Li metal-based solid-state batteries owing to its high Li+ conductivity (≈10-3 S cm-1) at room temperature and large electrochemical stability window. However, LLZO undergoes protonation under the influence of moisture-forming Li2CO3 layers, thereby affecting its structural and transport properties. Therefore, a detailed understanding on the impact of the exchange of H+ on Li+ sites on structural alteration and kinetics under the influence of wet environments is of great importance. The present study focuses on the Li+/H+ exchange in single-crystal and polycrystal Li6La3ZrTaO12 (LLZTO) garnets prepared using the Czochralski method and solid-state reactions subjected to weathering in air, aqueous solutions at room temperature, and in aqueous solution at 363 K using X-ray diffraction (XRD) and neutron diffraction (ND) techniques. Based on 36 single-crystal diffraction and 88 powder diffraction measurements, we found that LLZTO crystallizes with space group (SG) Ia3̅d with Li located in 96h (Li(2)) and 24d (Li(1)) sites, whereas the latter one is displaced toward the general position 96h forming shorter Li(1)-Li(2) jump distances. The degradation in air, wet air, water, and acetic acid leads to a Li+/H+ exchange that preferably takes place at the 24d site, which is in contrast to previous reports. Higher Li+/H+ was observed for LLZTO aged in water at 363 K that reduced the symmetry to SG I4̅3d from SG Ia3̅d. This symmetry reduction was found to be related to the site occupation behavior of Li at the tetrahedral 12a site in SG I4̅3d. Moreover, Li+ is exchanged by H+ preferably at the 48e site (equivalent to 96h site). We also found that the equilibrium H+ concentrations in all media tested remains very similar, which is related to the H+ diffusion in the LLZTO-controlled exchange process. Only the increase in temperature led to a significant increase in the exchange capacity as well as in the Li+/H+ exchange rate. Overall, we found that the exchange rate, exchange capacity, site occupation behavior of Li+ and H+, as well as the structural stability of LLZTO, strongly depend on the composition. These findings suggest that measurements on a single LLZTO variant sample do not lead to a general conclusion for all garnets to guide the field toward better materials. In contrast, each composition has to be analyzed exclusively to understand the interplay of composition, structure, and exchange kinetic properties.

P21/c Postorthopyroxene γ-LiScGe2O6, a New Dense High-Pressure Polymorph and Its Direct Transformation from the Pbca Structure.

Orthorhombic ß-LiScGe2O6 single crystals were compressed hydrostatically up to 10.35 GPa using a diamond anvil cell and investigated in situ by means of X-ray diffraction and Raman spectroscopy. Crystal-structure investigations at ambient conditions and at high pressure show a structural transition from an orthopyroxene-type Pbca structure (a ≈ 18.43 Å, b ≈ 8.85 Å, and c ≈ 5.34 Å at 8.6 ± 0.1 GPa) to a postorthopyroxene type P21/c structure of the new dense γ-LiScGe2O6 (a ≈ 18.62 Å, b ≈ 8.85 Å, c ≈ 5.20 Å, and ß ≈ 93.1° at 9.5 ± 0.1 GPa). The structure refinements reveal displacive shifts of O atoms associated with a rotation of every other tetrahedral-chain unit from the O- to S-type position similar to the postorthopyroxene-type MgSiO3. As a consequence of the oxygen displacement, the coordination number of Li atoms is changing from [5 + 1] to a proper 6-fold coordination. The transition around Pc = 9.0 ± 0.1 GPa is associated with a volume discontinuity of ΔV = -1.6%. This orthopyroxene (OEn-Pbca) to postorthopyroxene (pOEn-P21/c) transition is the second example of this type of transformation. Precise lattice parameters have been determined during isothermal compression. The fit of the unit-cell volumes of ß-LiScGe2O6, using a third-order Birch-Murnaghan equation of state, yields V0 = 943.63 ± 0.11 Å3, K0 = 89.8 ± 0.6 GPa, and dK/dP = 4.75 ± 0.18 as parameters. Evaluation of the data points beyond the critical transition pressure using a second-order Birch-Murnaghan equation suggests V0 = 940.6 ± 4.4 Å3 and K0 = 82.4 ± 4.8 GPa. A series of high-pressure Raman spectra confirm the symmetry-related structural transition, with band positions shifting in a noncontinuous manner, thus confirming the proposed first-order transition.

The crystal structure of KScP2O7.

Single crystals of KScP2O7, potassium scandium diphosphate, were grown in a borate flux. The title compound crystallizes isotypically with KAlP2O7 in space-group type P21/c, Z = 4. The main building block is an {ScP2O11}9- unit, forming layers parallel to (001). These layers are stacked along [001] via common corners of octa-hedral and tetra-hedral units to span up large hepta-gonal cavities that host the potassium cations with a coordination number of 10. The P-O-P bridging angle increases with increasing size of the octa-hedrally coordinated M III cation, as do the K-O distances within a series of KM IIIP2O7 compounds (M III = Al to Y with ionic radii r = 0.538 to 0.90 Å).

[Use and acceptance of the ORL logbook for final year students in German university and academic teaching hospitals]. / Einsatz und Akzeptanz des PJ­HNO­Basis-Logbuchs an deutschen Universitätskliniken und akademischen Lehrkrankenhäusern.

BACKGROUND: The current German medical licensing system from 2013 dictates the mandatory keeping of logbooks for final year students. A field-specific logbook for the practical year was created by the national otorhinolaryngology (ORL) society in 2012, which has been in use since then in all academic teaching and university hospitals nationwide. OBJECTIVE: After this time interval it seemed appropriate to evaluate this logbook for its usefulness by associate lecturers and students. The objectives were whether the actual learning targets could be considered relevant, suitable and feasible concerning department location, practical and clinical education for medical students. MATERIAL AND METHODS: A total of 165 associate lecturers of all registered national ORL departments were asked to participate using a 2-step evaluation. The logbook was evaluated by 77 lecturers in general and 17 lecturers also evaluated each of the 78 learning targets. Out of the 24 final year students from the Universities of Freiburg and Dresden who were contacted, 16 evaluated the logbook. RESULTS: Analysis demonstrated that the ORL logbook was used in 55% without alterations to the content and in 36% a medical faculty-specific logbook was used. The lecturers' judgement revealed no significant differences between the two logbooks. They approved the 78 learning targets with a majority vote of between 60-100%. Only 3 learning targets (otoacoustic emission, rhinomanometry and sonography) showed approval of less than 60%, associated with a request for modifications. Students evaluated the ORL logbook as being significantly better than the faculty's version concerning practical education. CONCLUSION: The results demonstrated the nationwide acceptance of the ORL logbook by lecturers and students. The amount of critical learning targets which will have to be changed is moderate. This evaluation confirmed the relevance and balance of the ORL logbook content in the practical year training and the possibility of use independent of the location of ORL departments.

Arrhenius Behavior of the Bulk Na-Ion Conductivity in Na3Sc2(PO4)3 Single Crystals Observed by Microcontact Impedance Spectroscopy.

NASICON-based solid electrolytes with exceptionally high Na-ion conductivities are considered to enable future all solid-state Na-ion battery technologies. Despite 40 years of research the interrelation between crystal structure and Na-ion conduction is still controversially discussed and far from being fully understood. In this study, microcontact impedance spectroscopy combined with single crystal X-ray diffraction, and differential scanning calorimetry is applied to tackle the question how bulk Na-ion conductivity σbulk of sub-mm-sized flux grown Na3Sc2(PO4)3 (NSP) single crystals is influenced by supposed phase changes (α, ß, and γ phase) discussed in literature. Although we found a smooth structural change at around 140 °C, which we assign to the ß â†’ γ phase transition, our conductivity data follow a single Arrhenius law from room temperature (RT) up to 220 °C. Obviously, the structural change, being mainly related to decreasing Na-ion ordering with increasing temperature, does not cause any jumps in Na-ion conductivity or any discontinuities in activation energies Ea. Bulk ion dynamics in NSP have so far rarely been documented; here, under ambient conditions, σbulk turned out to be as high as 3 × 10-4 S cm-1 at RT (Ea, bulk = 0.39 eV) when directly measured with microcontacts for individual small single crystals.

Design of novel materials for additive manufacturing - Isotropic microstructure and high defect tolerance.

Electron Beam Melting (EBM) is a powder-bed additive manufacturing technology enabling the production of complex metallic parts with generally good mechanical properties. However, the performance of powder-bed based additively manufactured materials is governed by multiple factors that are difficult to control. Alloys that solidify in cubic crystal structures are usually affected by strong anisotropy due to the formation of columnar grains of preferred orientation. Moreover, processing induced defects and porosity detrimentally influence static and cyclic mechanical properties. The current study presents results on processing of a metastable austenitic CrMnNi steel by EBM. Due to multiple phase transformations induced by intrinsic heat-treatment in the layer-wise EBM process the material develops a fine-grained microstructure almost without a preferred crystallographic grain orientation. The deformation-induced phase transformation yields high damage tolerance and, thus, excellent mechanical properties less sensitive to process-induced inhomogeneities. Various scan strategies were applied to evaluate the width of an appropriate process window in terms of microstructure evolution, porosity and change of chemical composition.

Structural and Raman spectroscopic characterization of pyroxene-type compounds in the CaCu1-xZnxGe2O6 solid-solution series.

Pyroxene-type germanate compounds with the composition CaCuGe2O6-CaZnGe2O6 have been synthesized via a solid-state ceramic sintering route. Phase-pure polycrystalline and small single-crystal material was obtained all over the series, representing a complete solid-solution series. Differential thermal analysis, single-crystal X-ray diffraction and Raman spectroscopy were used to characterize phase stability, phase changes and structural alterations induced by the substitution of Cu2+ with Zn2+. Whereas pure CaCuGe2O6 exhibits P21/c symmetry with a strong distortion of the M1 octahedra and two different Ge sites, one of them with an unusual fivefold coordination, the replacement of Cu2+ by Zn2+ induces a chemically driven phase change to the C2/c symmetry. The phase change takes place around Zn2+ contents of 0.12 formula units and is associated with large changes in the unit-cell parameters. Here, the increase of c by as much as 3.2% is remarkable and it is mainly controlled by an expansion of the tetrahedral chains. Further differences between the P21/c and C2/c structures are a more regular chain of edge-sharing M1 octahedra as a consequence of more and more reduced Jahn-Teller distortion and a less kinked, symmetry-equivalent tetrahedral chain. The coordination of the Ca site increases from sevenfold to eightfold with large changes in the Ca-O bond lengths during the phase change. Raman spectroscopy was mainly used to monitor the P21/c to C2/c phase change as a function of composition, but also as a function of temperature and to follow changes in specific Raman modes throughout the solid-solution series.

OSPRay - A CPU Ray Tracing Framework for Scientific Visualization.

Scientific data is continually increasing in complexity, variety and size, making efficient visualization and specifically rendering an ongoing challenge. Traditional rasterization-based visualization approaches encounter performance and quality limitations, particularly in HPC environments without dedicated rendering hardware. In this paper, we present OSPRay, a turn-key CPU ray tracing framework oriented towards production-use scientific visualization which can utilize varying SIMD widths and multiple device backends found across diverse HPC resources. This framework provides a high-quality, efficient CPU-based solution for typical visualization workloads, which has already been integrated into several prevalent visualization packages. We show that this system delivers the performance, high-level API simplicity, and modular device support needed to provide a compelling new rendering framework for implementing efficient scientific visualization workflows.