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At least 1,459 records · Page 81

All-YBa2Cu3O(7-x) edge-geometry weak links

High quality YBa2Cu3O(7-x)/normal-metal/YBa2Cu3O(7-x) edge-geometry weak links are fabricated using nonsuperconducting Y-Ba-Cu-O barrier layers deposited by laser ablation at reduced growth temperatures. Devices incorporating 25-100-A-thick barrier layers exhibit current-voltage characteristics consistent with the resistively-shunted-junction model, as well as ac Josephson steps. Magnetic field modulation of the critical currents shows Fraunhofer-like behavior with a periodicity which scales with device area. The critical currents vary exponentially with barrier thickness indicating an effective normal metal coherence length of 20 A. The average resistances scale linearly with Y-Ba-Cu-O interlayer thickness and device area. The scaling behavior of the device parameters combined with the well-behaved magnetic field modulation of the critical currents demonstrates good barrier-layer uniformity with low pinhole densities. Near the transition temperature, the critical currents exhibit a temperature dependence proportional to (1 - T/Tc) squared.

Hunt, B. D.↗

ICE/ISEE plasma wave data analysis

This report is one of the final processing of ICE plasma wave (pw) data and analysis of late ISEE 3, ICE cometary, and ICE cruise trajectory data, where coronal mass ejections (CME's) were the first locus of attention. Interest in CME's inspired an effort to represent our pw data in a condensed spectrogram format that facilitated rapid digestion of interplanetary phenomena on long (greater than 1 day) time scales. The format serendipitously allowed us to also examine earth-orbiting data from a new perspective, invigorating older areas of investigation in Earth's immediate environment. We, therefore, continued to examine with great interest the last year of ISEE 3's precomet phase, when it spent considerable time far downwind from Earth, recording for days on end conditions upstream, downstream, and across the very weak, distant flank bow shock. Among other motivations has been the apparent similarity of some shock and post shock structures to the signatures of the bow wave surrounding comet Giacobini-Zinner, whose ICE-phase data we revisited.

Greenstadt, E. W.↗

Observations of ionospheric electric fields above atmospheric weather systems

We report on the observations of a number of quasi-dc electric field events associated with large-scale atmospheric weather formations. The observations were made by the electric field experiment onboard the San Marco D satellite, operational in an equatorial orbit from May to December 1988. Several theoretical studies suggest that electric fields generated by thunderstorms are present at high altitudes in the ionosphere. In spite of such favorable predictions, weather-related events are not often observed since they are relatively weak. We shall report here on a set of likely E field candidates for atmospheric-ionospheric causality, these being observed over the Indonesian Basin, northern South America, and the west coast of Africa; all known sites of atmospheric activity. As we shall demonstrate, individual events often be traced to specific active weather features. For example, a number of events were associated with spacecraft passages near Hurricane Joan in mid-October 1988. As a statistical set, the events appear to coincide with the most active regions of atmospheric weather.

Farrell, W. M.↗

Three Dimensional Viscous Flow Field in an Axial Flow Turbine Nozzle Passage

The objective of this investigation is experimental and computational study of three dimensional viscous flow field in the nozzle passage of an axial flow turbine stage. The nozzle passage flow field has been measured using a two sensor hot-wire probe at various axial and radial stations. In addition, two component LDV measurements at one axial station (x/c(sum m) = 0.56) were performed to measure the velocity field. Static pressure measurements and flow visualization, using a fluorescent oil technique, were also performed to obtain the location of transition and the endwall limiting streamlines. A three dimensional boundary layer code, with a simple intermittency transition model, was used to predict the viscous layers along the blade and endwall surfaces. The boundary layers on the blade surface were found to be very thin and mostly laminar, except on the suction surface downstream of 70% axial chord. Strong radial pressure gradient, especially close to the suction surface, induces strong cross flow components in the trailing edge regions of the blade. On the end-walls the boundary layers were much thicker, especially near the suction corner of the casing surface, caused by secondary flow. The secondary flow region near the suction-casing surface corner indicates the presence of the passage vortex detached from the blade surface. The corner vortex is found to be very weak. The presence of a closely spaced rotor downstream (20% of the nozzle vane chord) introduces unsteadiness in the blade passage. The measured instantaneous velocity signal was filtered using FFT square window to remove the periodic unsteadiness introduced by the downstream rotor and fans. The filtering decreased the free stream turbulence level from 2.1% to 0.9% but had no influence on the computed turbulence length scale. The computation of the three dimensional boundary layers is found to be accurate on the nozzle passage blade surfaces, away from the end-walls and the secondary flow region. On the nozzle passage endwall surfaces the presence of strong pressure gradients and secondary flow limit the validity of the boundary layer code.

Ristic, D.↗

Analysis of Bis(trifluoromethylsulfonyl)imide Interactions with Metal Cations Through a Chemical Informatics Approach

Nominally weakly coordinating anions are useful for modulating the solubility and chemical properties of metal complexes, but identification and analysis of the systematics of the interactions of anions with cationic metal complexes has not received the attention it deserves. Here, a chemical informatics approach is demonstrated for identifying and quantitatively analyzing the ways that the bis(trifluoromethylsulfonyl)imide anion (TFSI) can interact with metal-containing species. An open access computer program (PyCIFTer) was developed to facilitate large-scale structural analysis of TFSI-containing species by utilization of experimental atomic coordinate data from single-crystal X-ray diffraction (XRD) studies obtained from the Cambridge Structural Database (CSD). PyCIFTer establishes a three-dimensional vector space from the raw atomic coordinates, generating acyclic, undirected graphs that are used to rapidly analyze the structural properties (bond lengths and angles) of TFSI in individual structures in sequential/batch fashion. The structures are sorted by PyCIFTer into groups based on pre-set and chemically sensible criteria, affording a comprehensive and systematic view of TFSI structural chemistry. This approach avoids tedious one-at-a-time interrogation of structures, a prospect unreasonable in this case, and many others of contemporary chemical relevance; there were over 1500 structures in the CSD containing TFSI as of November 2024. The results demonstrate that TFSI only rarely binds to cations in the solid state, favoring the formation of species in which TFSI is found in cations’ outer coordination spheres. The prospect of applying PyCIFTer to other moieties is also discussed. PyCIFTer is also schematically compared to the commercial CSD Python application programming interface (API). Taken together, this work demonstrates the usefulness of modular workflows for sequential/batch analysis of structural data from XRD, an approach that appears poised to accelerate the translation of legacy structural results into new chemical insights and hypotheses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-scale time-resolved electron diffraction: A case study in moiré materials

Ultrafast-optical-pump — structural-probe measurements, including ultrafast electron and x-ray scattering, provide direct experimental access to the fundamental timescales of atomic motion, and are thus foundational techniques for studying matter out of equilibrium. High-performance detectors are needed in scattering experiments to obtain maximum scientific value from every probe particle. Here we deploy a hybrid pixel array direct electron detector to perform ultrafast electron diffraction experiments on a WSe 2 /MoSe 2 2D heterobilayer, resolving the weak features of diffuse scattering and moiré superlattice structure without saturating the zero order peak. Enabled by the detector’s high frame rate, we show that a chopping technique provides diffraction difference images with signal-to-noise at the shot noise limit. Finally, we demonstrate that a fast detector frame rate coupled with a high repetition rate probe can provide continuous time resolution from femtoseconds to seconds, enabling us to perform a scanning ultrafast electron diffraction experiment that maps thermal transport in WSe 2 /MoSe 2 and resolves distinct diffusion mechanisms in space and time.

36 MATERIALS SCIENCE↗

Discussion on molecular dynamics (MD) simulations of the asphalt materials

The application of asphalt materials in pavement engineering has been increasingly widespread and sophisticated over the past several decades. Variations in the properties of asphalt binder during mixing, transportation, and paving can affect the performance of asphalt pavement. However, the asphalt material is a non-homogeneous and complex organic substance, consisting of various molecules with widely various molecular weights, elemental compositions, and structures. This complexity leads to difficulties for researchers to clearly and immediately understand the properties of asphalt materials and their variations. The multi-scale research approach combines macroscopic experimental data and microscopic simulation results from a practical engineering perspective. It helps to improve the understanding of asphalt materials. The molecular dynamics (MD) simulation proposes a corresponding molecular model of asphalt material based on experimental data, and the simulation algorithm is able to derive properties similar to those of real asphalt. Here, this paper provides a comprehensive review of the current studies on MD simulation of asphalt materials, including modeling, properties, and multi-scale analysis. As a key part of the computational simulation, this paper discusses the typical asphalt binder and asphalt-aggregate interface models constructed by different groups, and also presents their differences from real samples and their feasibility based on fundamental properties. After the introduction of molecular models, the extensive work made by researchers based on molecular models is categorically reviewed and discussed. The strengths and weaknesses of MD simulation methods in the study of asphalt materials are also summarized in order to provide the reader with a more comprehensive understanding of the relevant contents and to guide subsequent research.

36 MATERIALS SCIENCE↗

Experimental Verification of Ir 5d Orbital States and Atomic Structures in Highly Active Amorphous Iridium Oxide Catalysts

In iridium oxide catalysts, the electronic states whose energies are in the range of energetics and charge transfer kinetics of the oxygen evolution reaction (OER) originate from the Ir 5d orbital states. However, the understanding of the atomic structures and orbital states underlying catalytic reactivity in amorphous iridium oxide oxygen evolving catalysts (Ir-OECs) is incomplete compared to that of crystalline oxides, owing to a lack of direct experimental verification. Here, we present experimental approaches using resonant inelastic X-ray scattering (RIXS) to directly access Ir 5d orbital excitations at the Ir L 3 edge and atomic pair distribution function (PDF) measurements to characterize electronic and coordination structures at the atomic scale. The so-called iridium blue layer (IrBL) and IrO x were formed from the organometallic precursor complex [Cp*Ir(H 2 O) 3 ]SO 4 and the inorganic precursor IrCl 3 , respectively. Ex situ IrBL and IrO x films for RIXS and PDF measurements were prepared by conditioning electrodeposited films at a low voltage. The incident energy RIXS profile of IrO x exhibited extra weak resonantly enhanced excitation below 2 eV energy loss. The feature was clearly different from a single high-energy excitation above 3 eV of IrBL related to the interband transition between π- and σ-antibonding states. The atomic structure refinement based on PDF measurements revealed the atomic structure domains to have edge- and corner-shared IrO 6 octahedra with trigonal-type distortion. Furthermore, density functional theory calculations guided by the refined atomic structures shed light on the electronic structure corresponding to experimental results, including insulating and metallic phases in ex situ IrBL and IrO x films, respectively. Our study establishes different Ir 5d orbital states and atomic structures in two amorphous Ir oxide OER catalysts in their reduction states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals

Innovative new crystallographic methods are facilitating structural studies from ever smaller crystals of biological macromolecules. In particular, serial X-ray crystallography and microcrystal electron diffraction (MicroED) have emerged as useful methods for obtaining structural information from crystals on the nanometre to micrometre scale. Despite the utility of these methods, their implementation can often be difficult, as they present many challenges that are not encountered in traditional macromolecular crystallography experiments. Here, XFEL serial crystallography experiments and MicroED experiments using batch-grown microcrystals of the enzyme cyclophilin A are described. The results provide a roadmap for researchers hoping to design macromolecular microcrystallography experiments, and they highlight the strengths and weaknesses of the two methods. Specifically, we focus on how the different physical conditions imposed by the sample-preparation and delivery methods required for each type of experiment affect the crystal structure of the enzyme.

36 MATERIALS SCIENCE↗

DECOVALEX-2023: Task A Final Report

Task A, also known as HGFrac, examines the fracturing processes that may occur in the Callovo-Oxfordian claystone (COx) in the context of the high-level (HLW) and intermediate-level long-lived (ILW-LL) radioactive waste repository in France. Understanding these processes and improving numerical models to reproduce them will aid in the design, optimization, and safety of the repository. Heat and gas fracturing are studied in two independent subtasks following a stepwise approach: laboratory tests/benchmark exercises, in-situ experiment, and finally, an application case. The in-situ heater experiment aimed to thermally induce a hydraulic fracture; temperature and pore pressure were monitored to detect any evidence of fracturing. The in-situ gas injection experiment aimed to study the effect of the stress orientation and gas injection kinetics on the gas fracturing process. The occurrence of fracturing was monitored by gas pressure measured in the injection interval. In both experiments, the excavation-induced fracture network around the heater/injection boreholes played an important role in the reduction of the compressive stress state, leading to both a tensile and shear failure response of the COx. During the first two years of the project, the research teams working on each task developed and/or proposed numerical approaches for reproducing the occurrence of fracturing in the in-situ experiments. The failure criteria were defined by reproducing the measurements from laboratory extension tests for the heat fracturing subtask. In the gas fracturing subtask, their approaches were used for simulating several benchmark exercises, and an inter-comparison between models was carried out. In both tasks, the developed approaches were compared with a simplified approach considering poro-elasticity for the mechanical behaviour of the COx. Most of the developed approaches are based on a continuous medium that takes into account variations in hydraulic properties due to mechanical degradation, such as plastic deformation or damage. Other approaches implicitly modelled weak planes or embedded discontinuities to reproduce fracture propagation. The potential for fracture initiation was also studied through of a discrete approach. In the second half of the project, the research teams mainly focused on interpretative modelling of two in-situ experiments and a blind prediction exercise to test their respective approaches. The models developed by the research teams were also applied at the repository scale to evaluate fracture initiation in a case study under vi unfavourable conditions, particularly in terms of spacing between High-Level Waste cells. The results showed that the poro-elasticity approach could be an efficient tool for understanding the main processes occurring in the COx. One example is the explicit representation of the excavation-induced fracture network around the boreholes, which yielded acceptable results compared to the measurement data. However, advanced approaches were needed to evaluate the potential increase of the excavation-induced fracture network extend and better understand fracture initiation. The stress analyses carried out by the teams revealed that hydraulic boundary conditions had a strong impact on fracture initiation in the heater experiment. Furthermore, in most cases, the results required higher pore pressure increments to reach fracturing than those measured in the experiment. This implies that the measurements may have been biased by the packer’s capacity to fully isolate the piezometric chambers, leading to lower pressures. On the contrary, there was no agreement on the fracturing mode, as some reported either shear or tensile fracturing, while others reported a combination of the two modes. In the case of gas fracturing, the research teams were limited to the comparison of a single point, which complicated their task. Nonetheless, the numerical results were able to reproduce the measurements and capture processes such as longitudinal gas flow through the excavation-induced fracture network, as suggested by some evidence in the observation piezometric chambers. The numerical models also agreed with the measurements in the sense of higher probability of developing along the injection borehole than radially towards the sound rock. The approaches developed by the research teams showed that they are capable of analysing and reproducing fracture initiation in the COx. However, areas of future work should focus on the fracture propagation and fracture aperture, which were out of the scope of this task. To this end, additional data must be gathered for the parameter characterisation and validation of the numerical models. Nonetheless, various approaches showed promising results as they were able to reproduce fracture development under certain conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NGC 6212 - An X-ray-selected active elliptical galaxy

Optical and X-ray data on the elliptical galaxy NGC 6212 are reported. The X-ray flux varies by a factor of four on a time scale of months. The optical spectrum shows broad Balmer emission lines and narrow forbidden lines which are typical of low-luminosity X-ray selected Seyfert galaxies. The continuum is predominantly stellar, with no evidence for a nonthermal contribution. Narrow emission lines extend at least 11 kpc from the nucleus and are used to derive a rotation curve. The X-ray variability and relatively weak radio emission of NGC 6212 are not unusual for Seyfert galaxies.

Halpern, J. P.↗

All high Tc edge-geometry weak links utilizing Y-Ba-Cu-O barrier layers

High quality YBa2Cu3O(7-x) normal-metal/YBa2Cu3O(7-x) edge-geometry weak links have been fabricated using nonsuperconducting Y-Ba-Cu-O barrier layers deposited by laser ablation at reduced growth temperatures. Devices incorporating 25-100 A thick barrier layers exhibit current-voltage characteristics consistent with the resistively shunted junction model, with strong microwave and magnetic field response at temperatures up to 85 K. The critical currents vary exponentially with barrier thickness, and the resistances scale linearly with Y-Ba-Cu-O interlayer thickness and device area, indicating good barrier uniformity, with an effective mormal metal coherence length of 20 A.

Hunt, B. D.↗

Can weak crust explain the correlation of geoid and topography on Venus?

The effect on geoid and topography of low viscosity crust overlying a steady-state convecting mantle is estimated under the assumption that the shear between crust and mantle does not alter the mantle flow. The weak crustal layer can change the sign of the geoid to topography ratio (admittance). The positive long wavelength admittance for Venus is consistent with a weak crust overlying a mantle with a viscosity that increases strongly with depth. The accepted interpretation of the strong positive correlation of geoid and topography on Venus, is that the convecting mantle of Venus has a constant viscosity with depth. Topography results from vertical normal stresses caused by mantle convection and highlands occur where mantle upwells. For topography to be supported by normal stress, the time scale for crustal flow must be long compared to the time scale for changes in the pattern of mantle flow. Because the high surface temperature of Venus may cause the crust to have a low viscosity, this assumption may be false. Topography should then be dominated by shear coupling between the crust and mantle. In the absence of a crustal layer, convection in a constant viscosity layer gives rise to a geoid anomaly that correlates positively with surface topography. When the viscosity in the layer increases with depth by several orders of magnitude, the surface topography and geoid anomaly become anti-correlated.

Buck, W. Roger↗

Dwarf novae

Dwarf novae are defined on grounds of their semi-regular brightness variations of some two to five magnitudes on time scales of typically 10 to 100 days. Historically several different classification schemes have been used. Today, dwarf novae are divided into three sub-classes: the U Geminorum stars, the SU Ursae Majoris stars, and the Z Camelopardalis stars. Outbursts of dwarf novae occur at semi-periodic intervals of time, typically every 10 to 100 days; amplitudes range from typically 2 to 5 mag. Within certain limits values are characteristic for each object. Relations between the outburst amplitude, or the total energy released during outburst, and the recurrence time have been found, as well as relations between the orbital period and the outburst decay time, the absolute magnitude during outburst maximum, and the widths of long and short outbursts, respectively. Some dwarf novae are known to have suspended their normal outburst activity altogether for a while. They later resumed it without having undergone any observable changes. The optical colors of dwarf novae all are quite similar during outburst, considerably bluer than during the quiescent state. During the outburst cycle, characteristic loops in the two color diagram are performed. At a time resolution on the order of minutes, strictly periodic photometric changes due to orbital motion become visible in the light curves of dwarf novae. These are characteristic for each system. Remarkably little is known about orbital variations during the course of an outburst. On time-scales of minutes and seconds, further more or less periodic types of variability are seen in dwarf novae. Appreciable flux is emitted by dwarf novae at all wavelengths from the X-rays to the longest IR wavelengths, and in some cases even in the radio. Most dwarf novae exhibit strong emission line spectra in the optical and UV during quiescence, although some have only very weak emissions in the optical and/or weak absorptions at UV wavelengths.

Ladous, Constanze↗

Correlation of Water Frost Porosity in Laminar Flow over Flat Surfaces

A dimensionless correlation has been proposed for water frost porosity expressing its dependence on frost surface temperature and Reynolds number for laminar forced flow over a flat surface. The correlation is presented in terms of a dimensionless frost surface temperature scaled with the cold plate temperature, and the freezing temperature. The flow Reynolds number is scaled with reference to the critical Reynolds number for laminar-turbulent transition. The proposed correlation agrees satisfactorily with the simultaneous measurements of frost density and frost surface temperature covering a range of plate temperature, ambient air velocity, humidity, and temperature. It is revealed that the frost porosity depends primarily on the frost surface and the plate temperatures and the flow Reynolds number, and is only weakly dependent on the relative humidity. The results also point out the general character of frost porosity displaying a decrease with an increase in flow Reynolds number.

Kandula, Max↗

New Theories for Neutrino Masses and Dark Matter

The main goal of the project is to investigate new theories for neutrino masses and dark matter, and understand their testability in different experiments. The PI proposed several mechanisms for neutrino masses in the context of B-L theories, left-right symmetric theories, supersymmetric theories and grand unified theories. The PI would like to investigate new ways to understand the origin of neutrino masses where the seesaw scale is in the multi-TeV region. One can have a multi-TeV seesaw scale in scenarios where the same symmetry relevant for neutrino masses defines the dark matter relic density, or in the minimal supersymmetric theory based on local B-L. In these theories one can have new ways to understand the testability of the origin of neutrino masses at colliders and low energy experiments. In these theories one predicts the possibility to observe lepton number violating signatures at the LHC, one can predict large contributions to lepton number violating processes such as mu to e conversion, neutrinoless double beta decay experiments and others. The nature of the dark matter in the Universe is one of the most important problems in cosmology. Two of the most popular candidates are the Axions and the Weakly Interacting Massive Particles (WIMPs). The PI would like to investigate the implications of a new electroweak theta term similar to the QCD vacuum angle but in the SU(2) gauge sector of the SM which is physical if the baryon and lepton numbers are broken symmetries. We will investigate the implications of having a new electroweak theta term dark matter portal, the implications for baryogenesis and understand the constraints coming from different experiments such as the searches for electric dipole moments and axion experiments. The implications of having the electroweak theta term in theories with different sources of baryon and lepton number violation will be investigated. WIMPs are perhaps the most appealing candidates for many reasons. The PI would like to investigate the properties of WIMPs in different gauge theories, study the implications of the cosmological bounds on the WIMPs relic density for the symmetry breaking scale in models for new physics. The PI would like to investigate in great detail the predictions for gamma lines, neutrino lines and other striking signatures which can be present in these theories. These studies can have a profound impact in the testability of different theories for physics beyond the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Causality constraints on corrections to Einstein gravity

We study constraints from causality and unitarity on 2 → 2 graviton scattering in four-dimensional weakly-coupled effective field theories. Together, causality and unitarity imply dispersion relations that connect low-energy observables to high-energy data. Using such dispersion relations, we derive two-sided bounds on gravitational Wilson coefficients in terms of the mass M of new higher-spin states. Our bounds imply that gravitational interactions must shut off uniformly in the limit G → 0, and prove the scaling with M expected from dimensional analysis (up to an infrared logarithm). We speculate that causality, together with the non-observation of gravitationally-coupled higher spin states at colliders, severely restricts modifications to Einstein gravity that could be probed by experiments in the near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Uniformity Is Key in Defining Structure–Function Relationships for Atomically Dispersed Metal Catalysts: The Case of Pt/CeO 2

Catalysts consisting of atomically dispersed Pt (Pt iso ) species on CeO 2 supports have received recent interest due to their potential for efficient metal utilization in catalytic convertors. However, discrepancies exist between the behavior (reducibility, interaction strength with adsorbates) of high surface area Pt iso /CeO 2 systems and of well-defined surface science and computational model systems, suggesting differences in Pt local coordination in the two classes of materials. Here, we reconcile these differences by demonstrating that high surface area Pt iso /CeO 2 synthesized at low Pt loadings (<0.1% weight) exhibit resistance to reduction and sintering up to 500 °C in 0.05 bar H 2 and minimal interactions with CO—properties previously seen only for model system studies. Alternatively, Pt loadings >0.1 weight % produce a distribution of sub-nanometer Pt structures, which are difficult to distinguish using common characterization techniques, and exhibit strong interactions with CO and weak resistance to sintering, even in 0.05 bar H 2 at 50 °C—properties previously seen for high surface area materials. This work demonstrates that low metal loadings can be used to selectively populate the most thermodynamically stable adsorption sites on high surface area supports with atomically dispersed metals. Further, the site uniformity afforded by this synthetic approach is critical for the development of relationships between atomic scale local coordination and functional properties. Comparisons to recent studies of Pt iso /TiO 2 suggest a general compromise between the stability of atomically dispersed metal catalysts and their ability to interact with and activate molecular species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗