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Further analysis of SAS 3 observations of the rapid burster /MXB 1730-335/

SAS 3 observations of the rapid burster MXB 1730-335 are analyzed with specific reference to the rapidly repetitive type II bursts and also the type I bursts. It is found that: (1) there are two stable patterns in the recurrence of the rapidly repetitive type II bursts, designated modes I and II; (2) the range of type II burst energies is a factor of about 100 for mode I and a factor of about 10 for mode II; (3) type II burst spectra are best fitted by a blackbody of constant temperature (of the order of 18 million K), constant column density, and decreasing intensity; and (4) type I bursts are best fitted by a blackbody spectrum with decreasing temperature (approximately 24 million K during the first few seconds and 16 million K about 10 sec later). The spectral fits for both types of burst are shown to yield sizes for the emission region comparable to the radius of a neutron star. A model for the rapid burster is suggested.

Marshall, H. L.↗

Additional Results of Glaze Icing Scaling in SLD Conditions

New guidance of acceptable means of compliance with the super-cooled large drops (SLD) conditions has been issued by the U.S. Department of Transportation's Federal Aviation Administration (FAA) in its Advisory Circular AC 25-28 in November 2014. The Part 25, Appendix O is developed to define a representative icing environment for super-cooled large drops. Super-cooled large drops, which include freezing drizzle and freezing rain conditions, are not included in Appendix C. This paper reports results from recent glaze icing scaling tests conducted in NASA Glenn Icing Research Tunnel (IRT) to evaluate how well the scaling methods recommended for Appendix C conditions might apply to SLD conditions. The models were straight NACA 0012 wing sections. The reference model had a chord of 72 in. and the scale model had a chord of 21 in. Reference tests were run with airspeeds of 100 and 130.3 kn and with MVD's of 85 and 170 micron. Two scaling methods were considered. One was based on the modified Ruff method with scale velocity found by matching the Weber number WeL. The other was proposed and developed by Feo specifically for strong glaze icing conditions, in which the scale liquid water content and velocity were found by matching reference and scale values of the nondimensional water-film thickness expression and the film Weber number Wef. All tests were conducted at 0 deg AOA. Results will be presented for stagnation freezing fractions of 0.2 and 0.3. For nondimensional reference and scale ice shape comparison, a new post-scanning ice shape digitization procedure was developed for extracting 2-D ice shape profiles at any selected span-wise location from the high fidelity 3-D scanned ice shapes obtained in the IRT.

SLD↗

Models and Processes to Extract Drug-like Molecules From Natural Language Text

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is molecules that have been reported in the scientific literature to be drug-like in the context of viral research. However, this literature is too large for human review and features unusual vocabularies for which existing named entity recognition (NER) models are ineffective. We report here on a project that leverages both human and artificial intelligence to detect references to such molecules in free text. We present 1) a iterative model-in-the-loop method that makes judicious use of scarce human expertise in generating training data for a NER model, and 2) the application and evaluation of this method to the problem of identifying drug-like molecules in the COVID-19 Open Research Dataset Challenge (CORD-19) corpus of 198,875 papers. We show that by repeatedly presenting human labelers only with samples for which an evolving NER model is uncertain, our human-machine hybrid pipeline requires only modest amounts of non-expert human labeling time (tens of hours to label 1778 samples) to generate an NER model with an F-1 score of 80.5%—on par with that of non-expert humans—and when applied to CORD’19, identifies 10,912 putative drug-like molecules. This enriched the computational screening team’s targets by 3,591 molecules, of which 18 ranked in the top 0.1% of all 6.6 million molecules screened for docking against the 3CLPro protein.

60 APPLIED LIFE SCIENCES↗

Evidence for Atmospheric Cold-trap Processes in the Noninverted Emission Spectrum of Kepler-13Ab Using HST /WFC3

We observed two eclipses of the Kepler-13A planetary system, on UT 2014 April 28 and UT 2014 October 13, in the near-infrared using Wide Field Camera 3 on the Hubble Space Telescope . By using the nearby binary stars Kepler-13BC as a reference, we were able to create a differential light curve for Kepler-13A that had little of the systematics typically present in HST /WFC3 spectrophotometry. We measure a broadband (1.1–1.65 μ m) eclipse depth of 734 ± 28 ppm and are able to measure the emission spectrum of the planet at R ≈ 50 with an average precision of 70 ppm. We find that Kepler-13Ab possesses a noninverted, monotonically decreasing vertical temperature profile. We exclude an isothermal profile and an inverted profile at more than 3 σ . We also find that the dayside emission of Kepler-13Ab appears generally similar to an isolated M7 brown dwarf at a similar effective temperature. Due to the relatively high mass and surface gravity of Kepler-13Ab, we suggest that the apparent lack of an inversion is due to cold-trap processes in the planet’s atmosphere. Using a toy model for where cold traps should inhibit inversions, as well as observations of other planets in this temperature range with measured emission spectra, we argue that with more detailed modeling and more observations we may be able to place useful constraints on the size of condensates on the daysides of hot Jupiters.

79 ASTRONOMY AND ASTROPHYSICS↗

The short-term comprehensive impact of the phase-out of global coal combustion on air pollution and climate change

With the continuous intensification of global warming, the reduction and ultimate phase-out of coal combustion is an inevitable trend in the future global energy transformation. This study comprehensively analyzed the impact of phasing out coal combustion on global emissions and concentrations of air pollutants, radiative fluxes, meteorology and climate using Community Earth System Model 2 (CESM2). The results indicate that after the global phase-out of coal combustion, there is a marked decrease in the concentrations of sulfur dioxide (SO 2 ), nitrogen oxides (NO x ) and fine particulate matter (PM 2.5 ), with some regions experiencing a reduction of exceeding 50%. There is no significant change in global ozone (O 3 ) concentration. There are decreasing AOD and positive radiative fluxes globally in the short term, though the cloud contributes minor negative radiative fluxes. The global air temperature may increase by approximately (0.02 ± 0.15) °C on average with regional and seasonal variations, and the precipitation may potentially increase by approximately (2.7 ± 40.6) mm yr −1 globally and over 20% in equatorial regions in the short term. But combined with the decreasing trend of cloud water content in the Northern Hemisphere, it indicates a potential increase in the extremity of precipitation events. In conclusion, this study provides references for global control of air pollution, mitigation strategies of climate change, and transformation of energy structures under the objective of “carbon neutrality”, such as focusing on the negative climate impacts of exacerbating regional warming and increasing extreme precipitation resulting from the rapid reduction of aerosols in the short term.

01 COAL, LIGNITE, AND PEAT↗

SU-F-J-135: Tumor Displacement-Based Binning for Respiratory-Gated Time-Independent 5DCT Treatment Planning

Purpose: A published 5DCT breathing motion model enables image reconstruction at any user-selected breathing phase, defined by the model as a specific amplitude (v) and rate (f). Generation of reconstructed phase-specific CT scans will be required for time-independent radiation dose distribution simulations. This work answers the question: how many amplitude and rate bins are required to describe the tumor motion with a specific spatial resolution? Methods: 19 lung-cancer patients with 21 tumors were scanned using a free-breathing 5DCT protocol, employing an abdominally positioned pneumatic-bellows breathing surrogate and yielding voxel-specific motion model parameters α and β corresponding to motion as a function of amplitude and rate, respectively. Tumor GTVs were contoured on the first (reference) of 25 successive free-breathing fast helical CT image sets. The tumor displacements were binned into widths of 1mm to 5mm in 1mm steps and the total required number of bins recorded. The simulation evaluated the number of bins needed to encompass 100% of the breathing-amplitude and between the 5th and 95th percentile amplitudes to exclude breathing outliers. Results: The mean respiration-induced tumor motion was 9.90mm ± 7.86mm with a maximum of 25mm. The number of bins required was a strong function of the spatial resolution and varied widely between patients. For example, for 2mm bins, between 1–13 amplitude bins and 1–9 rate bins were required to encompass 100% of the breathing amplitude, while 1–6 amplitude bins and 1–3 rate bins were required to encompass 90% of the breathing amplitude. Conclusion: The strong relationship between number of bins and spatial resolution as well as the large variation between patients implies that time-independent radiation dose distribution simulations should be conducted using patient-specific data and that the breathing conditions will have to be carefully considered. This work will lead to the assessment of the dosimetric impact of binning resolution. This study is supported by Siemens Healthcare.

60 APPLIED LIFE SCIENCES↗

Effects of Radiation and Dietary Iron on Expression of Genes and Proteins Involved in Drug Metabolism

Liver function, especially the rate of metabolic enzyme activities, determines the concentration of circulating drugs and the duration of their efficacy. Most pharmaceuticals are metabolized by the liver, and clinically-used medication doses are given with normal liver function in mind. A drug overdose can result in the case of a liver that is damaged and removing pharmaceuticals from the circulation at a rate slower than normal. Alternatively, if liver function is elevated and removing drugs from the system more quickly than usual, it would be as if too little drug had been given for effective treatment. Because of the importance of the liver in drug metabolism, we want to understand any effects of spaceflight on the enzymes of the liver. Dietary factors and exposure to radiation are aspects of spaceflight that are potential oxidative stressors and both can be modeled in ground experiments. In this experiment, we examined the effects of high dietary iron and low dose gamma radiation (individually and combined) on the gene expression of enzymes involved in drug metabolism, redox homeostasis, and DNA repair. METHODS All procedures were approved by the JSC Animal Care and Use Committee. Male Sprague-Dawley rats were divided into 4 groups (n=8); control, high Fe diet (650 mg iron/kg), radiation (fractionated 3 Gy exposure from a Cs- 137 source) and combined high Fe diet + radiation exposure. Animals were euthanized 24h after the last treatment of radiation; livers were removed immediately and flash -frozen in liquid nitrogen. Expression of genes thought to be involved in redox homeostasis, drug metabolism and DNA damage repair was measured by RT-qPCR. Where possible, protein expression of the same genes was measured by western blotting. All data are expressed as % change in expression normalized to reference gene expression; comparisons were then made of each treatment group to the sham exposed/ normal diet control group. Data was considered significant at p< 0.5. RESULTS Among the redox homeostasis genes examined, metallothionein showed a significant down regulation in the radiation treated group (-3.85 fold) and a trend toward down regulation in the high Fe + rad group. Metallothionein is involved in the regulation of physiological metals and also has antioxidant activities. Among the drug metabolism genes examined, ATP binding cassette subfamily B (Abcb1b) gene expression increased more than 10-fold in both groups that received radiation treatments. This increased expression was also seen at the protein level. This ABC transporter carries many different compounds across cell membranes, including administered medications. The cytochrome P450 2E1 enzyme, a mixed-function oxidase that deactivates some medications and activates others, showed about a 2-fold increase in gene expression in both radiation-treated groups, with a trend toward increased expression at the protein level. Expression of epoxide hydrolase, which detoxifies polycyclic aromatic hydrocarbons, showed similar 2-fold increases. Among the DNA repair genes examined, expression of RAD51 was significantly down regulated (1.5 fold) in the radiation treated group. RAD51 is involved in repair of double-stranded DNA breaks. CONCLUSION This experiment used 2 different sources of physiological oxidative stress, administered separately and together, and examined their impacts on liver gene and protein expression. It is clear that significant changes occurred in expression of several genes and proteins in the radiation-treated animals. If the results from this ground analog of portions of the spaceflight environment hold true for the spaceflight environment itself, the physiological roles of the affected enzymes (drug transport and metabolism, redox homeostasis) could mean consequences in redox homeostasis or the pharmacokinetics of administered medications

Faust, K. M.↗

2015 Occupant Protection Standing Review Panel

The 2015 Occupant Protection (OP) Risk Standing Review Panel (from here on referred to as the SRP) participated in a WebEx/teleconference with members of the Space Human Factors and Habitability (SHFH) Element, representatives from the Human Research Program (HRP), NASA Headquarters, and NASA Research and Education Support Services on November 3, 2015 (list of participants is in Section VII of this report). The SRP reviewed the updated research plans for the Risk of Injury from Dynamic Loads (OP Risk). The SRP agrees that the Gaps are relevant and appropriate to mitigate the injury risk. All the appropriate and relevant Tasks have been identified to fill the Gaps. Depending upon the findings, additional tasks may need to be identified or modified. Excellent progress has been made since the 2014 SRP meeting. Publications in peer-reviewed journals validate the scientific merit of the research findings. As detailed in this report, the SRP has specific comments, guidance, and information in the following areas: human finite element modeling, human vs. surrogate dynamic responses, chest injury risk curves, matched pair testing of Test device for Human Occupant Restraint (THOR) and Hybrid III, and disc herniation risk analysis.

Steinberg, Susan↗

Inverse-Velocity Transformation Wall Model for Reacting Turbulent Hypersonic Boundary Layers

The present study builds on prior work by taking advantage of the novel framework proposed by Griffin et al. (hereafter referred to as the GFM) as a baseline. The model is progressively extended to multicomponent reacting mixtures, accounting for differential diffusion and finite-rate chemistry in a similar fashion to Di Renzo & Urzay and Di Renzo et al. The accuracy of the present approach, as well the prior model of Di Renzo & Urzay, is assessed in an a priori sense for the first time in a turbulent reacting boundary layer, using the boundary-layer data of Williams et al. Five species are included in the present analysis, i.e., N s = 5, namely N 2 , O 2 , NO, N and O, a neutral mixture most representative of dissociation/recombination phenomena for temperatures below 6000 K. A schematic of a flow over a wedge representative of the described configuration is presented in Figure 1. The brief is organized as follows: In Section 2, the wall-model equations and the computational framework are presented. In Section 3, the a priori results of the proposed model are described and compared to the extended EWM. Finally, in Section 4, some conclusions are offered.

97 MATHEMATICS AND COMPUTING↗

The São Paulo Potential and the 3 He Breakup Reaction at 130 MeV on 93 Nb and 197 Au

Nuclear reactions induced by weakly bound nuclei often result in the emission of light particles as products of the projectile breakup. The incident particle is expected to fragment before reaching the interior of the target nuclei, a characteristic that tends to favor forward angular emission. Although the first models developed for such reactions were proposed many decades ago by Udagawa and Tamura, Ichimura, Austern, Vincent, and Kasano, and Hussein and McVoy, to this date most of the attention has been dedicated to the breakup of the deuteron and other very weakly bound systems, while more strongly bound projectiles have not been fully explored. Here, we describe the production of protons and deuterons from the breakup of 3He. The breakup of 3 He on two heavy targets, 93 Nb and 197 Au, is analyzed in this study. However, the incoming energy involved is much larger than that of the standard phenomenological optical potentials available in the literature for the 3He entrance channel. We have overcome this difficulty by using the São Paulo potential and adjusting the nuclear diffusivity. The deuteron inclusive spectra were calculated at several angles and compared well with the experimental data. Theoretical proton emission predictions are also given for future reference, since no inclusive measurements were performed for the targets under study. Finally, one of our goals is to verify the description of deuteron emission from fast projectiles, for which many partial waves contribute to the scattering process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SU-E-T-559: Monte Carlo Simulation of Cobalt-60 Teletherapy Unit Modeling In-Field and Out-Of-Field Doses for Applications in Computational Radiation Dosimetry

Purpose: Mean organ doses from structures located in field and outside of field boundaries during radiotherapy treatment must be considered when looking at secondary effects. Treatment planning in patients with 40 years of follow-up does not include 3-D treatment planning images and did not estimate dose to structures out of the direct field. Therefore, it is of interest to correlate actual clinical events with doses received. Methods: Accurate models of radiotherapy machines combined with whole body computational phantoms using Monte Carlo methods allow for dose reconstructions intended for studies on late radiation effects. The Theratron-780 radiotherapy unit and anatomically realistic hybrid computational phantoms are modeled in the Monte Carlo radiation transport code MCNPX. The major components of the machine including the source capsule, lead in the unit-head, collimators (fixed/adjustable), and trimmer bars are simulated. The MCNPX transport code is used to compare calculated values in a water phantom with published data from BJR suppl. 25 for in-field doses and experimental data from AAPM Task Group No. 36 for out-of-field doses. Next, the validated cobalt-60 teletherapy model is combined with the UF/NCI Family of Reference Hybrid Computational Phantoms as a methodology for estimating organ doses. Results: The model of Theratron-780 has shown to be agree with percentage depth dose data within approximately 1% and for out of field doses the machine is shown to agree within 8.8%. Organ doses are reported for reference hybrid phantoms. Conclusion: Combining the UF/NCI Family of Reference Hybrid Computational Phantoms along with a validated model of the Theratron-780 allows for organ dose estimates of both in-field and out-of-field organs. By changing field size, position, and adding patient-specific blocking more complicated treatment set-ups can be recreated for patients treated historically, particularly those who lack both 2D/3D image sets.

61 RADIATION PROTECTION AND DOSIMETRY↗

Adiabatic Heating in Modular Plasticity Models

Plastic deformations in metals are dissipative. Some fraction of the dissipated mechanical energy (plastic work) is converted into thermal energy and serves as a heat source. In cases where the heat cannot be readily transferred to the environment, the local temperature will increase thereby producing variations in mechanical behaviors associated with temperature-dependent properties (e.g. thermal softening due to decreasing yield strengths). This issue is often referred to as "adiabatic heating as an adiabatic temperature condition corresponds to the limiting case where no heat transfer takes place. The impact of converting plastic work into heat on the mechanical response of metals has been long studied. Nonetheless, it still remains an issue. For instance, with respect to ductile failure, the second Sandia Fracture Challenge noted that accounting for plastic heat generation was necessary for predictions under dynamic loading conditions. Furthermore, both experimental and modeling efforts continue to be pursued to better describe and understand the effect of plastic work conversion into heat on structural responses. Noting the need for capturing plastic work conversion into heat in structural analyses, a simple and fairly traditional representation of these responses has been added into existing modular plasticity models in the Library of Advanced Materials for Engineering (LAME). Here, these capabilities are briefly described with the underlying theory and numerical implementation discussed in Sections 2 and 3, respectively. Examples of syntax are given in Section 4 and some verification exercises are found in Section 5. Simple structural analyses are presented in Section 6 to briefly highlight the impact of these features and concluding thoughts are given.

36 MATERIALS SCIENCE↗

Validation of RU-WRF, the Custom Atmospheric Mesoscale Model of the Rutgers Center for Ocean Observing Leadership

The Rutgers University Center for Ocean Observing Leadership (RU-COOL) contracted the National Renewable Energy Laboratory (NREL) to evaluate RU-COOL's atmospheric observation and modeling capabilities for characterizing the New Jersey offshore wind resource. The observational network used by RU-COOL consists of mostly public but some private coastal and offshore buoy-based stations. The core wind resource modeling capability of RU-COOL is a custom setup of the Weather Research and Forecasting (WRF) mesoscale model, referred to in this report as RU-WRF. The most unique feature of RU-WRF and not found in other WRF model setups is the use of custom sea surface temperature (SST) product generated by RU-COOL. This custom product was designed to better capture the unique coastal upwelling and strong storm mixing in the Mid-Atlantic Bight, which other typical SST products are not designed to capture. Funding for the development, maintenance, and use of RU-WRF by RU-COOL is provided by the New Jersey Board of Public Utilities, who also funded the validation work presented in this report. In this validation study, NREL was specifically tasked to: 1) Assess the observational network used by RU-COOL to validate RU-WRF and make recommendations for improvement, 2) Assess methods used by RU-COOL to validate RU-WRF and make recommendations for improvement, 3) Examine the inputs to and setup within RU-WRF, compare against available NREL data sets, and make recommendations for improvement.

17 WIND ENERGY↗

Atmospheric correction of remotely sensed image data by a simplified model

The interaction of radiation with the atmosphere is complex and has proved difficult to calculate without reference to measurements made at or close to the time and location of interest. In this paper we describe the use of data from an airborne-tracking sunphotometer mounted on a NASA C-130 aircraft to derive optical properties of the atmospheric aerosols above the aircraft when it is on the ground as well as when the aircraft is at altitude collecting remote sensing data. Furthermore, we describe the use of these optical properties for quantitative atmospheric correction of Landsat Thematic Mapper (TM) and NS001 TM simulator radiances in a simplified radiative transfer model appropriate for each pixel of entire images. Both qualitative and quantitative comparisons of results from use of the model show it provides good to excellent correction for atmospheric effects in TM and NS001 TM simulator data. Quantitative comparisons with measurements of surface radiances measured near the time of the TM overpass showed agreement within a few percent for bands 2, 3, and 4. Band 1 yielded radiances within 15 percent of the surface radiances. We think the simplified atmospheric correction model shows great promise for applying atmospheric corrections to entire images instead of individual points within images to yield surface radiances within a few percent in a computationally efficient manner.

Wrigley, R. C.↗

Sulfur and Moisture Effects on Alumina Scale and TBC Spallation

It has been well established that a few ppmw sulfur impurity may segregate to the interface of thermally grown alumina scales and the underlying substrate, resulting in bond degradation and premature spallation. This has been shown for NiAl and NiCrAl-based alloys, bare single crystal superalloys, or coated superalloys. The role of reactive elements (especially Y) has been to getter the sulfur in the bulk and preclude interfacial segregation. Pt additions are also very beneficial, however a similar thermodynamic explanation does not apply. The purpose of the present discussion is to highlight some observations of these effects on Rene'142, Rene'N5, PWA1480, and PWA1484. For PWA1480, we have mapped cyclic oxidation and spallation in terms of potential sulfur interfacial layers and found that a cumulative amount of about one monolayer is sufficient to degrade long term adhesion. Depending on substrate thickness, optimum performance occurs if sulfur is reduced below about 0.2-0.5 ppmw. This is accomplished in the laboratory by hydrogen annealing or commercially by melt-fluxing. Excellent 1150 C cyclic oxidation is thus demonstrated for desulfurized Rene'142, Rene'N5, and PWA1484. Alternatively, a series of N5 alloys provided by GE-AE have shown that as little as 15 ppmw of Y dopant was effective in providing remarkable scale adhesion. In support of a Y-S gettering mechanism, hydrogen annealing was unable to desulfurize these alloys from their initial level of 5 ppmw S. This impurity and critical doping level corresponds closely to YS or Y2S3 stoichiometry. In many cases, Y-doped alloys or alloys with marginal sulfur levels exhibit an oxidative sensitivity to the ambient humidity called Moisture-Induced Delayed Spallation (MIDS). After substantial scale growth, coupled with damage from repeated cycling, cold samples may spall after a period of time, breathing on them, or immersing them in water. While stress corrosion arguments may apply, we propose that the underlying cause is related to a hydrogen embrittlement reaction: Al alloy + 3 H2O = Al(OH)3 + 3H(+) + 3e(-). This mechanism is derived from an analogous moisture-induced hydrogen embrittlement mechanism originally shown for Ni3Al and FeAl intermetallics. Consequently, a cathodic hydrogen charging technique was used to demonstrate that electrolytic de-scaling occurs for these otherwise adherent alumina scales formed on Y-doped Rene'N5, in support of hydrogen effects. Finally, some TBC observations are discussed in light of all of the above. Plasma sprayed 8YSZ coatings, produced on PWA1484 without a bond coat, were found to survive more than 1000 1-hr cycles at 1100 C when desulfurized to below 0.1 ppmw. At higher sulfur (1.2 ppmw) levels, moisture sensitivity and delayed TBC failure, referred to as Desk Top Spallation, occurred at just 200 hr. Despite a large degree of scatter, a factor of 5 in life improvement is indicated for desulfurized samples in cyclic furnace tests, confirming the beneficial effect of low sulfur alloys on model TBC systems. (DTS and moisture effects are also observed on commercially applied PVD 7YSZ coatings on Rene'N5+Y with Pt-aluminide bond coats). These types of catastrophic failure were subverted on the model system by segmenting the substrate into a network of 0.010 high ribs, spaced in. apart, prior to plasma spraying. No failures occurred after 1000 cycles at 1150 C or after 2000 cycles at 1100 C, even after water immersion. The benefit is described in terms of elasticity models and a critical buckling stress.

Smialek, James L.↗

Temporal Ni K-Edge X-ray Absorption Spectroscopy Study Reveals the Kinetics of the Ni Redox Behavior of the Iron-Nickel Oxide Bimetallic OER Catalyst

Operando X-ray absorption spectroscopy (XAS) can be utilized to probe the phase and structural changes of FeNiOx and similar transition metal oxide electrocatalysts during electrocatalytic reactions. However, capturing the temporal changes occurring in the operando chemistry of electrocatalysts has been little studied. Here, in this work, we successfully capture the time-resolved changes at the Ni K-edge for both the X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) regions of an aqueous phase synthesized FeNiO x bimetallic nanoparticle electrocatalyst. During a stepped voltage experiment, the temporal change in the Ni K-edge was observed as the applied voltage was stepped from 0.7 to 0.8 V versus the silver/silver chloride reference electrode, and the change observed is associated with the Ni redox transition from the 2+ to 3+/4+ oxidation state. Individual XAS spectra were obtained in 90 s, and a total of 9 scans post voltage step showed a unique transition from a hydroxide to an oxyhydroxide phase. The shift in absorption edge energy position and the changes in spectral shape for individual scans explain the typically observed broadening of the Ni K-edge XANES spectrum during time-averaged operando XAS, and a kinetic analysis revealed a first-order observed rate constant, |k obs |, of 0.00426 s –1 and a half-life (t 1/2 ) of 163 s. Multivariate curve resolution-alternating least squares analysis followed by linear combination fitting analysis for time-averaged versus time-resolved Ni K-edge changes upon voltage step show distinct differences in estimated contributions from Ni 2+ oxide/hydroxide phases. Detailed EXAFS modeling shows the phase transition from hydroxide to oxyhydroxide on top of the unchanged metallic core.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theory of the spin-Seebeck effect at a topological-insulator/ferromagnetic-insulator interface

The spin-Seebeck effect refers to voltage signals induced in metals by thermally driven spin currents in adjacent magnetic systems. We present a theory of the spin-Seebeck signal in the case where the conductor that supports the voltage signal is the topologically protected two-dimensional surface-state system at the interface between a ferromagnetic insulator (FI) and a topological insulator (TI). Our theory uses a Dirac model for the TI surface states and assumes Heisenberg exchange coupling between the TI quasiparticles and the FI magnetization. The spin-Seebeck voltage is induced by the TI surface states scattering off the nonequilibrium magnon population at the surface of the semi-infinite thermally driven FI. Our theory is readily generalized to spin-Seebeck voltages in any two-dimensional conductor that is exchange-coupled to the surface of a FI. Surface-state carrier-density-dependent signal strengths calculated using Bi 2 Te 3 and yttrium iron garnet material parameters are consistent with recent experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Assessing the WRF-Solar Model Performance Using Satellite-Derived Irradiance from the National Solar Radiation Database

Abstract WRF-Solar is a numerical weather prediction model specifically designed to meet the increasing demand for accurate solar irradiance forecasting. The model provides flexibility in the representation of the aerosol–cloud–radiation processes. This flexibility can be argued to make it more difficult to improve the model’s performance because of the necessity of inspecting different configurations. To alleviate this situation, WRF-Solar has a reference configuration to use as a benchmark in sensitivity experiments. However, the scarcity of high-quality ground observations is a handicap to accurately quantify the model performance. An alternative to ground observations are satellite irradiance retrievals. Herein we analyze the adequacy of the National Solar Radiation Database (NSRDB) to validate the WRF-Solar performance using high-quality global horizontal irradiance (GHI) observations across the contiguous United States (CONUS). Based on the sufficient performance of NSRDB, we further analyze the WRF-Solar forecast errors across the CONUS, the growth of the forecasting errors as a function of the lead time, and sensitivities to the grid spacing and the representation of the radiative effects of unresolved clouds. Our results based on WRF-Solar forecasts spanning 2018 reveal a 7% median degradation of the mean absolute error (MAE) from the first to the second daytime period. Reducing the grid spacing from 9 to 3 km leads to a 4% improvement in the MAE, whereas activating the radiative effects of unresolved clouds is desirable over most of the CONUS even at 3 km of grid spacing. A systematic overestimation of the GHI is found. These results illustrate the potential of GHI retrievals to contribute to increasing the WRF-Solar performance.

14 SOLAR ENERGY↗