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At least 361 records · Page 20

Path integral approach to quantum anomalies in interacting models

The prediction and subsequent discovery of topological semimetal phases of matter in solid state systems has instigated a surge of activity investigating the exotic properties of these unusual materials. Among these are transport signatures which can be attributed to the chiral anomaly; the breaking of classical chiral symmetry in a quantum theory. This remarkable quantum phenomenon, first discovered in the context of particle physics has now found new life in condensed-matter physics, connecting topological quantum matter and band theory with effective field theoretic models. In this paper we investigate the interplay between interactions and the chiral anomaly in field theories inspired by semimetals using Fujikawa's path integral method. Starting from models in one spatial dimension we discuss how the presence of interactions can affect the consequences of the chiral anomaly leading to renormalization of excitations and their transport properties. This is then generalized to the three-dimensional case where we show that the anomalous response of the system, namely, the chiral magnetic and quantum Hall effects, are modified by the presence of interactions. These properties are investigated further through the identification of anomalous modes which exist within interacting Weyl semimetals. These massive excitations are nonperturbative in nature and are a direct consequence of the chiral anomaly. The effects of interactions on mixed axial-gravitational anomalies are then investigated and the conditions required for interaction effects to be observed are discussed.

Anomalies↗

Saturnian trapped radiation and its absorption by satellites and rings - The first results from Pioneer 11

Preliminary results from Pioneer 11 concerning the acceleration and trapping of charged particles in the magnetic field of Saturn are reported. The identification and measurement of the intensities and spectra of charged particle species was performed by an experiment including four charged particle sensor systems, within 20 Saturn radii of the planet. Increases in the intensity of 0.5- to 1.8-MeV protons within 15 Saturn radii indicate the trapping and acceleration of particles in the dipole field region, while a decrease in proton intensity between seven and four Saturn radii is attributed to absorption by Dione and Enceladus and possibly ring material as well. Proton and electron intensity distributions are found to be axially symmetric within four Saturn radii, indicating a centered dipole aligned with the planetary rotation axis. Trapped radiation absorption at the orbit of Mimas is analyzed to obtain an upper limit of 4 x 10 to the -8th Saturn radii-squared/sec to the inward diffusion coefficient; an absorption-like feature observed at L = 2.5 is attributed to a previously unidentified satellite of diameter less than 200 km and semimajor axis 2.51 Saturn radii. Radiation absorption by the newly discovered F ring was also observed, however beneath the A, B and C rings a low flux of high-energy electrons was detected.

Simpson, J. A.↗

Effect of chemical substituents attached to the zwitterion cation on dielectric constant

Materials with high dielectric constant, ε s , are desirable in a wide range of applications including energy storage and actuators. Recently, zwitterionic liquids have been reported to have the largest ε s of any liquid and, thus, have the potential to replace inorganic fillers to modulate the material ε s . Although the large ε s for zwitterionic liquids is attributed to their large molecular dipole, the role of chemical substituents attached to the zwitterion cation on ε s is not fully understood, which is necessary to enhance the performance of soft energy materials. Here, we report the impact of zwitterionic liquid cation chemical substituents on ε s (50 < ε s < 300 at room temperature). Dielectric relaxation spectroscopy reveals that molecular reorientation is the main contributor to the high ε s . The low Kirkwood factor g calculated for zwitterionic liquids (e.g., 0.1–0.2) suggests the tendency for the antiparallel zwitterion dipole alignment expected from the strong electrostatic intermolecular interactions. With octyl cation substituents, the g is decreased due to the formation of hydrophobic-rich domains that restrict molecular reorientation under applied electric fields. In contrast, when zwitterion cations are functionalized with ethylene oxide (EO) segments, g increases due to the EO segments interacting with the cations, allowing more zwitterion rotation in response to the applied field. The reported results suggest that high ε s zwitterionic liquids require a large molecular dipole, compositionally homogeneous liquids (e.g., no aggregation), a maximized zwitterion number density, and a high g, which is achievable by incorporating polar chemical substituents onto the zwitterion cations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Metal-to-metal charge transfer transitions - Interpretation of visible-region spectra of the moon and lunar materials

Prominent bands in the spectral profiles of Fe-Ti phases in lunar samples have been attributed to charge-transfer transitions between Fe and Ti cations, and a model is presented for calculating charge transfer energies from energy levels computed by the SCF-X(alpha) scattered wave molecular orbital method for isolated MO6 octahedral coordination clusters containing Fe(2+), Fe(3+), Ti(3+), and Ti(4+) cations. The calculated charge transfer energy for the Fe(2+) to Ti(4+) transition correlates well with a measured spectral feature around 0.6 micron in ilmenite, and, since ilmenite is a major constituent of mare basalts and dark-mantling material, the observed darkness and blueness of the regolith in lunar black spots is attributed primarily to this transition. The Ti(3+) to Ti(4+) transition is thought to contribute to some phases.

Loeffler, B. M.↗

Novel indium phosphide charged particle detector characterization with a 120 GeV proton beam

Thin film detectors which incorporate semiconductor materials other than silicon have the potential to build upon their unique material properties and offer advantages such as faster response times, operation at room temperature, and radiation hardness. To explore the possibility, promising candidate materials were selected, and particle tracking detectors were fabricated. An indium phosphide detector with a metal-intrinsic-metal structure has been fabricated for particle tracking. The detector was tested using radioactive sources and a high energy proton beam at Fermi National Accelerator Laboratory. In addition to its simplistic design and fabrication process, the indium phosphide particle detector showed a very fast response time of hundreds of picoseconds for the 120 GeV protons, which are comparable to the ultra-fast silicon detectors. This fast-timing response is attributed to the high electron mobility of indium phosphide. Such material properties can be leveraged to build novel detectors with superlative performance.

47 OTHER INSTRUMENTATION↗

Focused Helium Ion Beam for Direct Patterning of Monolayer MoS 2 Nanoribbon Field Effect Devices

The helium ion microscope (HIM) focused ion beam (FIB) has emerged as a powerful tool to directly pattern nanostructures below 10 nm due to its high-resolution capabilities and the inert nature of the ion source. These attributes make HIM FIB particularly interesting for patterning 2D materials such as transition metal dichalcogenides (TMDs) to investigate transport phenomena at the nanoscale. Reported here is the fabrication of MoS 2 nanoribbon devices using HIM FIB-induced etching (FIBIE) with XeF 2 , allowing for reduced ion dose compared to direct sputtering. While patterning is efficacious, the devices exhibit performance degradation with decreasing nanoribbon width due to damage up to 150 nm beyond the patterned edge. Incorporating an hBN encapsulation improves device performance by one order of magnitude, although the lateral extent of damage remains unchanged. The spatial distribution of damage is shown to be determined by the forward- and backscattered ions and electrons, while the hBN encapsulation layer substantially reduces damage from XeF 2 interactions in unexposed regions. Raman and photoluminescence (PL) measurements corroborate these findings, while ion/solid interaction simulations further elucidate the resolution limits imposed by substrate interactions. In conclusion, this work provides critical insights and a practical pathway for utilizing HIM FIBIE in 2D TMD functional device patterning.

MoS 2↗

Bio-inspired strategies for next-generation perovskite solar mobile power sources

Smart electronic devices are becoming ubiquitous due to many appealing attributes including portability, long operational time, rechargeability and compatibility with the user-desired form factor. Integration of mobile power sources (MPS) based on photovoltaic technologies with smart electronics will continue to drive improved sustainability and independence. With high efficiency, low cost, flexibility and lightweight features, halide perovskite photovoltaics have become promising candidates for MPS. Realization of these photovoltaic MPS (PV-MPS) with unconventionally extraordinary attributes requires new ‘out-of-box’ designs. Natural materials have provided promising designing solutions to engineer properties under a broad range of boundary conditions, ranging from molecules, proteins, cells, tissues, apparatus to systems in animals, plants, and humans optimized through billions of years of evolution. Applying bio-inspired strategies in PV-MPS could be biomolecular modification on crystallization at the atomic/meso-scale, bio-structural duplication at the device/system level and bio-mimicking at the functional level to render efficient charge delivery, energy transport/utilization, as well as stronger resistance against environmental stimuli (e.g., self-healing and self-cleaning). In this paper, we discuss the bio-inspired/-mimetic structures, experimental models, and working principles, with the goal of revealing physics and bio-microstructures relevant for PV-MPS. Here the emphasis is on identifying the strategies and material designs towards improvement of the performance of emerging halide perovskite PVs and strategizing their bridge to future MPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced Manufacturing Basic Entity Relationships Ontology

A data ontology defined using the W3C Web Ontology Language (OWL) format. It defines classes and attributes for objects directly implicated in manufacturing such as materials, preform geometries, and manufacturing processes and settings. It also includes classes to describe entities that are instrumental to making digital twins and performing predictive activities on manufacturing data such as designs of experiment and predictive models.

Harris, BrennanKay↗

The effect of interfacial phenomena on gas solubility measurements in molten salts

The behavior of fission gases in molten fuel salt reactors governs activity transport from the reactor and can also affect the performance of the reactor itself. The gas solubility can be described thermodynamically by Henry’s law. However, the coupling of the condensed and gas phases depends on the interfacial area, which is difficult to measure or even to estimate. Surfaces of materials in the reactor will include disperse phases in the salt and porosity within the structural materials, covering a range of compositions and sizes. These attributes can affect measurements of fundamental properties such as gas solubility. Methods to obtain gas solubility, surface tension, interfacial energies, and bubble gas transport are reviewed. Recent data from manometric experiments are interpreted based on xenon sorption onto salt-wetted quartz.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Regional chemical variations in lunar basaltic lavas

The higher Al2O3 concentrations in mare soils at Apollo landing sites, relative to mare basalts, have generally been attributed to the presence of 20-30% of terra material in the mare surface regolith. This viewpoint is shown to be erroneous when entire maria are studied; the amount of terra material in typical mare surface regoliths is only about 5%, or less. The bulk of the mare soils are the comminuted remains of aluminous mare basalt flows. On a regional scale, the sample and orbital data for maria define prominent chemical variations that are well beyond those expected from simple igneous processes and therefore indicate that gradations in one or more of the major parameters of planetary differentiation caused these variations. The increasingly abundant evidence for regional variations in the chemical compositions of lunar basalts requires that regional petrogenetic provinces must be considered in models of lunar evolution.

Hubbard, N.↗

Solar particle abundances at energies of greater than 1 MeV per nucleon and the role of interplanetary shocks

The abundances of elements in large solar energetic-particle events in the energy range of 2-12 MeV per nucleon are examined. It is confirmed that the abundances relative to mean values vary approximately monotonically as a function of mass, except for He-4; some events show a gradual depletion of heavy ions, whereas a small number displays a gradual increase. A further organization of abundance data is shown, which depends on the longitude of the source region. Enhancements in Fe/C and other heavy elements relative to C occur when source regions are near west 60 deg; the enhancements are attributed to the sampling of a flare-heated material. Depletions of these elements are found to be greatest for source regions near central meridian; they are matched by a steepening of the spectrum and can be understood in terms of diffusive shock acceleration.

Cane, H. V.↗

Testing the Prediction of Iron Alteration Minerals on Low Albedo Asteroids

Absorption features centered near 0.60 - 0.65 and 0.80 - 0.90 micron were identified in the spectra of three low-albedo main-belt (165, 368, 877) and two low-albedo outer-belt (225, 334) asteroids (Vilas et al., Icarus, v. 109,274,1994). The absorption features were attributed to charge transfer transitions in iron alteration minerals such as goethite, hematite, and jarosite, all products of aqueous alteration. Concurrently, Jarvis et al. (LPSC XXIV, 715, 1993) presented additional spectra of low-albedo asteroids that had absorption features centered near 0.60 - 0.65 micron without the longer wavelength feature. Since these two features in iron oxides originate from the same ground state, and the longer wavelength feature requires less energy to exist, the single shorter wavelength feature cannot be caused by the iron alteration minerals. In addition, spectra of minerals such as hematite and goethite show a rapid increase in reflectance beginning near 0.5 micron absent in the low-albedo asteroid spectra. The absence of this rise has been attributed to its suppresion from opaques in the surface material. Spectra on more than one night were available for only one of these five asteroids, 225 Henrietta, and showed good repeatability of the 0.65-micron feature. We have acquired additional spectra of all five asteroids in order to test the repeatability of the 0.65-micron feature, and the presence and repeatability of the features centered near 0.8 - 0.9 micron. We specifically will test the possibility that longer wavelength features could be caused by incomplete removal of telluric water. Asteroid 877 Walkure is a member of the Nysa-Hertha family, and will be compared to spectra of other members of that family. Data were acquired in 1996 and 1999 on the 2.1-m telescope with a facility cassegrain spectrograph, McDonald Observatory, Univ. Of Texas, and the 1.5-m telescope with facility cassegrain spectrograph at CTIO. This research is supported by the NASA Planetary Astronomy Program.

Jarvis, K. S.↗

Palagonitic (Not Andesitic) Mars: Evidence from Thermal Emission and VNIR Spectra of Palgonitic Alteration Rinds on Basaltic Rock

Visible and near-IR (VNIR) spectra of both Martian bright and dark regions are characterized by a ferric absorption edge extending from approx. 400 to 750 nm, with bright regions having about twice the reflectivity at 750 nm as dark regions. Between 750 nm to beyond 2000 nm, bright and dark regions have nearly constant and slightly negative spectral slopes, respectively. Depending on location, bright regions have shallow reflectivity minima in the range 850-910 nm that are attributed to ferric oxides. Similarly, dark regions have shallow reflectivity minima near approx. 950 and 1700-2000 nm that are attributed to ferrous silicate minerals (pyroxene). Among terrestrial geologic materials, the best spectral analogues for Martian bright regions are certain palagonitic tephras from Mauna Kea Volcano (Hawaii). By definition, palagonite is a "yellow or orange isotropic mineraloid formed by hydration and devitrification of basaltic glass". The ferric pigment in palagonite is nanometer-sized ferric oxide particles (np-Ox) dispersed throughout the hydrated basaltic glass matrix. The hydration state of the np-Ox particles is not known, but the best Martian spectral analogues contain allophane-like materials and not crystalline phyllosilicates.

R V Morris↗

Development of processing techniques for advanced thermal protection materials

The main purpose of this work has been in the development and characterization of materials for high temperature applications. Thermal Protection Systems (TPS) are constantly being tested, and evaluated for increased thermal shock resistance, high temperature dimensional stability, and tolerance to environmental effects. Materials development was carried out through the use of many different instruments and methods, ranging from extensive elemental analysis to physical attributes testing. The six main focus areas include: (1) protective coatings for carbon/carbon composites; (2) TPS material characterization; (3) improved waterproofing for TPS; (4) modified ceramic insulation for bone implants; (5) improved durability ceramic insulation blankets; and (6) ultra-high temperature ceramics. This report describes the progress made in these research areas during this contract period.

Selvaduray, Guna S.↗

Surface‐Enforced Alignment of Reprogrammable Liquid Crystalline Elastomers

Abstract Liquid crystalline elastomers (LCEs) are stimuli‐responsive materials capable of undergoing large deformations. The thermomechanical response of LCEs is attributable to the coupling of polymer network properties and disruption of order between liquid crystalline mesogens. Complex deformations have been realized in LCEs by either programming the nematic director via surface‐enforced alignment or localized mechanical deformation in materials incorporating dynamic covalent chemistries. Here, the preparation of LCEs via thiol‐Michael addition reaction is reported that are amenable to surface‐enforced alignment. Afforded by the thiol‐Michael addition reaction, dynamic covalent bonds are uniquely incorporated in chemistries subject to surface‐enforce alignment. Accordingly, LCEs prepared with complex director profiles are able to be programmed and reprogrammed by (re)activating the dynamic covalent chemistry to realize distinctive shape transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of Langmuir and Spatially Resolved OES Diagnostics for Arc Jet Shock and Boundary Layer Measurements Relevant to Atmospheric Re-Entry Environments

The second-generation miniature Arc Jet Research Chamber (mARC) ground testing facility at NASA Ames requires physical characterization of its supersonic plasma flow to verify numerical models and material sample testing. Two types of plasma diagnostics will be utilized: Langmuir probes and optical emission spectroscopy (OES). Several single and triple Langmuir probes have been constructed and will be inserted parallel to the flow via a sweep arm to measure post-shock electron temperature and number density along radial profiles at different axial distances. Due to the high heat flux (200-3000 W/cm2) sweep durations are necessarily short (< 0.1 s). Measuring these properties near the probe surface provide characterization of the post-shock environment. This is an important metric for validating coupled CFD-material codes, and will provide insight into longstanding thermocouple anomalies attributed to charging of heatshield surfaces. An OES system has also been assembled to obtain spatially resolved density and temperature for various flow species. The system consists of a convex lens that forms an image of the plasma onto a 16-channel linear fiber array, which will simultaneously capture the spectra from sixteen different locations. The light emission from the plasma is then focused by a spherical mirror into a spectrometer and recorded with a camera. These measurements non-intrusively provide a new spatially resolved flow characterization capability. This will initially be used to resolve issues with shock radiation interference in pyrometer measurements of material surface temperature. The design of each diagnostic and any initial results will be discussed.

Ethan Main-Loam Leong↗

A record high average ZT over a wide temperature range in a Single-layer Sb 2 Si 2 Te 6

Conversion of waste heat into usable energy requires development of thermoelectric materials with high efficiency in a wide temperature range. Here, using first principles theory and Boltzmann transport theory, we show that the thermoelectric performance of the p-type single-layer Sb 2 Si 2 Te 6 has a high figure of merit ZT of 2.62 at 900 K and a record high average ZT of ~1.93 (corresponding the conversion efficiency of ~23.2%) in the temperature range of 300-900 K. These values are significantly higher than the recently measured average ZT of ~0.57 in the temperature range of 310–823 K [Luo et al., Joule 4, 159–175 (2020)] in layered bulk Sb 2 Si 2 Te 6 . We attribute the large enhancement of ZT in the single layer material to the increase in the thermoelectric power factor resulting from the complex Fermi surface. Our work reveals the great potential of a single-layer Sb 2 Si 2 Te 6 for wide-temperature-range thermoelectric applications.

36 MATERIALS SCIENCE↗

A simplified integrated framework for predicting the economic impacts of feedstock variations in a catalytic fast pyrolysis conversion process

Feedstock attributes of lignocellulosic biomass, such as particle size, compositional makeup, and moisture content, can vary substantially even within pre-processed materials and have a significant effect on conversion in fast pyrolysis-based processes. However, the economic impacts of these attributes are not well understood. To address this, biomass deconstruction phenomena captured with a versatile particle-scale simulation were linked to techno-economic impacts via reduced-order models. Parametric analysis of the particle-scale model, which was validated using literature data, was used in combination with multiple linear regression models to develop correlations between feedstock attributes and yields of pyrolysis oil, gas, and char. Yields were then correlated with the minimum fuel selling price (MFSP) using a techno-economic model, bridging the gap between physics-based biomass conversion simulations and predictions of MFSP for a catalytic fast-pyrolysis process. Empirical correlations derived from the literature regarding the impact of mineral matter (ash) on oil yield were also considered. The model correlations deployed in the integrated framework capture the impacts of variation in feedstock attributes on the MFSP. Variations in ash were shown to have the biggest impact, varying MFSP by -13%/+22% due to catalytic effects and lower relative amounts of convertible lignocellulosic material. It was also found that, if ash can be controlled to low levels, the increased extractives in forest residues can help compensate for some yield losses associated with increased ash. As a result, other inputs considered (particle size, moisture content, and reactor temperature) had relatively negligible effects on process economics within the ranges analyzed considering particle-scale effects alone.

BIOMASS FUELS↗