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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Using Satellite Observations of Cloud Vertical Distribution to Improve Global Model Estimates of Cloud Radiative Effect on Key Tropospheric Oxidants

Radiative effect of clouds is one of the major factors that affect tropospheric OH. Large differences in cloud distributions among current (chemistry-climate or chemical transport) models could contribute significantly to the wide model spread of tropospheric OH, which was reported by the ACCMIP activity (Voulgarakis et al., ACP 2013). CCCM, a 3-D cloud data product developed at NASA Langley and merged from multiple A-Train satellite observations, provides unprecedentedly strong constraints on the vertical distribution of clouds and therefore simulated effects of clouds on key tropospheric oxidants.

Liu, Hongyu↗
NASA NTRS2017

Brachinite-Like Clast in the Kaidun Meteorite: First Report of Primitive Achondrite Material

Kaidun is a brecciated meteorite containing many different types of meteorites. It is composed of carbonaceous, enstatite, ordinary and R chondrites with smaller amounts of basaltic achondrites, impact melt products and unknown [1, 2]. Because of the multiple components and high abundance of carbonaceous chondrites, the Kaidun parent body was probably a large C-type asteroid in order to have accumulated clasts of many unrelated asteroids, and thus Kaidun contains previously unknown materials[1]. It has been suggested that the Kaidun parent body trawled through different regions of the solar system [3], but the formation of Kaidun meteorite is still uncertain. In this abstract, we report the first discovery of a brachinite-like clast in Kaidun.

Higashi, K.↗
NASA NTRS2018

Kepler Data Validation I: Architecture, Diagnostic Tests, and Data Products for Vetting Transiting Planet Candidates

The Kepler Mission was designed to identify and characterize transiting planets in the Kepler Field of View and to determine their occurrence rates. Emphasis was placed on identification of Earth-size planets orbiting in the Habitable Zone of their host stars. Science data were acquired for a period of four years. Long-cadence data with 29.4 min sampling were obtained for approx. 200,000 individual stellar targets in at least one observing quarter in the primary Kepler Mission. Light curves for target stars are extracted in the Kepler Science Data Processing Pipeline, and are searched for transiting planet signatures. A Threshold Crossing Event is generated in the transit search for targets where the transit detection threshold is exceeded and transit consistency checks are satisfied. These targets are subjected to further scrutiny in the Data Validation (DV) component of the Pipeline. Transiting planet candidates are characterized in DV, and light curves are searched for additional planets after transit signatures are modeled and removed. A suite of diagnostic tests is performed on all candidates to aid in discrimination between genuine transiting planets and instrumental or astrophysical false positives. Data products are generated per target and planet candidate to document and display transiting planet model fit and diagnostic test results. These products are exported to the Exoplanet Archive at the NASA Exoplanet Science Institute, and are available to the community. We describe the DV architecture and diagnostic tests, and provide a brief overview of the data products. Transiting planet modeling and the search for multiple planets on individual targets are described in a companion paper. The final revision of the Kepler Pipeline code base is available to the general public through GitHub. The Kepler Pipeline has also been modified to support the Transiting Exoplanet Survey Satellite (TESS) Mission which is expected to commence in 2018.

data analysis↗
NASA NTRS2021

The role of analysis error in the convergence of reanalysis production streams in MERRA-2

Due to production time constraints, most reanalyses are produced in multiple parallel streams instead of a single continuous one. These streams cover separate segments of the reanalysis time period with short overlaps to allow reconstruction of the official record. A fundamental assumption justifying this approach is that the streams will be assimilating the same observations during the periods where they overlap, and so will eventually converge to a similar atmospheric state, making discontinuities at stream junctions negligible. This assumption is revisited in this work by examining the impact of analysis error on the differences between MERRA-2 overlapping streams in three historical periods. Comparison results are shown in terms of standard deviations of stream differences as well as the spectral decomposition of the variance of their differences. Residual differences were found at the end of each year of overlap, with larger values observed in the earlier segments of the presatellite era. By drawing parallels with analysis error statistics estimated from the GMAO OSSE system, these differences are shown to reflect the varying constraint of data with the varying observing network, and to further carry the imprint of errors that the data assimilation process is not able to mitigate. As such, they are unlikely to be reduced by longer spinup periods. The ability of data assimilation to ensure continuity in the parallel streams is put into question when the observing system coverage is inadequate or simply when the data assimilation system as a whole is suboptimal.

Amal El Akkraoui↗
NASA NTRS2024

Mount Etna as A Terrestrial Laboratory to Investigate Recent Volcanic Activity on Venus By Future Missions: A Comparison With Idunn Mons, Venus

The recently selected missions to Venus have opened a new era for the exploration of this planet. These missions will provide information about the chemistry of the atmosphere, the geomorphology, local-to-regional surface composition, and the rheology of the interior. One key scientific question to be addressed by these future missions is whether Venus remains volcanically active, and if so, how its volcanism is currently evolving. Hence, it is fundamental to analyze appropriate terrestrial analog sites for the study of possibly active volcanism on Venus. To this regard, we propose Mount Etna - one of the most active and monitored volcanoes on Earth - as a suitable terrestrial laboratory for remote and in-situ investigations to be performed by future missions to Venus. Being characterized by both effusive and explosive volcanic products, Mount Etna offers the opportunity to analyze multiple eruptive styles, both monitoring active volcanism and identifying the possible occurrence of pyroclastic activity on Venus. We directly compare Mount Etna with Idunn Mons, one of the most promising potentially active volcanoes of Venus. Despite the two structures show a different topography, they also show some interesting points of comparison, and in particular: a) comparable morpho-structural setting, since both volcanoes interact with a rift zone, and b) morphologically similar volcanic fields around both Mount Etna and Idunn Mons. Given its ease of access, we also propose Mount Etna as an analog site for laboratory spectroscopic studies to identify the signatures of unaltered volcanic deposits on Venus.

P D DIncecco↗
NASA NTRSDate not supplied

NASA Progress on the Development and Qualification of a 12-kW Hall-Effect, Solar Electric Propulsion Thruster

The National Aeronautics and Space Administration (NASA) continues to evolve the human exploration approach for beyond low-Earth orbit and in a manner involving international, academic, and industry partners. The center of this approach is NASA’s Gateway program that will establish a permanent human presence in lunar orbit for human cislunar science, operations, and lunar surface access to eventually land the next American astronauts on the south pole of the Moon. In support of the effort, NASA’s Space Technology Mission Directorate (STMD) began a project to increase the state of the art for the Hall-Effect Solar Electric Propulsion (SEP) technology. The resulting Advanced Electric Propulsion System (AEPS) project has developed a 12 kW Hall-effect thruster in support of the Gateway program. The project is managed by the NASA Glenn Research Center (GRC), supported by the NASA Jet Propulsion Laboratory (JPL) with development, qualification & flight hardware all supplied by L3 Harris Aerojet Rocketdyne (AR). Development of the 12-kW Hall thruster electric propulsion system began with maturation of the Hall Effect Rocket with Magnetic Shielding (HERMeS) Technology Demonstration Units (TDUs). The technology development was then transitioned to AR via the AEPS contract, which built and tested two Engineering Test Unit (ETU) thrusters and multiple critical components. The project transitioned to the production of the three flight thrusters and entered qualification testing at the component and thruster levels.

Electric Propulsion↗
NASA NTRSDate not supplied

NASA Progress on the Development and Qualification of a 12-kW Hall-Effect, Solar Electric Propulsion Thruster

The National Aeronautics and Space Administration (NASA) continues to evolve the human exploration approach for beyond low-Earth orbit and in a manner involving international, academic, and industry partners. The center of this approach is NASA’s Gateway program that will establish a permanent human presence in lunar orbit for human cislunar science, operations, and lunar surface access to eventually land the next American astronauts on the south pole of the Moon. In support of the effort, NASA’s Space Technology Mission Directorate (STMD) began a project to increase the state of the art for the Hall-Effect Solar Electric Propulsion (SEP) technology. The resulting Advanced Electric Propulsion System (AEPS) project has developed a 12 kW Hall-effect thruster in support of the Gateway program. The project is managed by the NASA Glenn Research Center (GRC), supported by the NASA Jet Propulsion Laboratory (JPL) with development, qualification & flight hardware all supplied by L3 Harris Aerojet Rocketdyne (AR). Development of the 12-kW Hall thruster electric propulsion system began with maturation of the Hall Effect Rocket with Magnetic Shielding (HERMeS) Technology Demonstration Units (TDUs). The technology development was then transitioned to AR via the AEPS contract, which built and tested two Engineering Test Unit (ETU) thrusters and multiple critical components. The project transitioned to the production of the three flight thrusters and entered qualification testing at the component and thruster levels.

Electric Propulsion↗
DOE OSTI2013

Hydrogeologic Modeling at the Sylvania Corning FUSRAP Site - 13419

A comparative groundwater hydrogeologic modeling analysis is presented herein to simulate potential contaminant migration pathways in a sole source aquifer in Nassau County, Long Island, New York. The source of contamination is related to historical operations at the Sylvania Corning Plant ('Site'), a 9.49- acre facility located at 70, 100 and 140 Cantiague Rock Road, Town of Oyster Bay in the westernmost portion of Hicksville, Long Island. The Site had historically been utilized as a nuclear materials manufacturing facility (e.g., cores, slug, and fuel elements) for reactors used in both research and electric power generation in early 1950's until late 1960's. The Site is contaminated with various volatile organic and inorganic compounds, as well as radionuclides. The major contaminants of concern at the Site are tetrachloroethene (PCE), trichloroethene (TCE), nickel, uranium, and thorium. These compounds are present in soil and groundwater underlying the Site and have migrated off-site. The Site is currently being investigated as part of the Formerly Utilized Sites Remedial Action Program (FUSRAP). The main objective of the current study is to simulate the complex hydrogeologic features in the region, such as numerous current and historic production well fields; large, localized recharge basins; and, multiple aquifers, and to assess potential contaminant migration pathways originating from the Site. For this purpose, the focus of attention was given to the underlying Magothy formation, which has been impacted by the contaminants of concern. This aquifer provides more than 90% of potable water supply in the region. Nassau and Suffolk Counties jointly developed a three-dimensional regional groundwater flow model to help understand the factors affecting groundwater flow regime in the region, to determine adequate water supply for public consumption, to investigate salt water intrusion in localized areas, to evaluate the impacts of regional pumping activity, and to better understand the contaminant transport and fate mechanisms through the underlying aquifers. This regional model, developed for the N.Y. State Department of Environmental Conservation (NYSDEC) by Camp Dresser and McKee (CDM), uses the finite element model DYNFLOW developed by CDM, Cambridge, Massachusetts. The coarseness of the regional model, however, could not adequately capture the hydrogeologic heterogeneity of the aquifer. Specifically, the regional model did not adequately capture the interbedded nature of the Magothy aquifer and, as such, simulated particles tended to track down-gradient from the Site in relatively straight lines while the movement of groundwater in such a heterogeneous aquifer is expected to proceed along a more tortuous path. This paper presents a qualitative comparison of site-specific groundwater flow modeling results with results obtained from the regional model. In order to assess the potential contaminant migration pathways, a particle tracking method was employed. Available site-specific and regional hydraulic conductivity data measured in-situ with respect to depth and location were incorporated into the T-PROG module in GMS model to define statistical variation to better represent the actual stratigraphy and layer heterogeneity. The groundwater flow characteristics in the Magothy aquifer were simulated with the stochastic hydraulic conductivity variation as opposed to constant values as employed in the regional model. Contaminant sources and their exact locations have been fully delineated at the Site during the Remedial Investigation (RI) phase of the project. Contaminant migration pathways originating from these source locations at the Site are qualitatively traced within the sole source aquifer utilizing particles introduced at source locations. Contaminant transport mechanism modeled in the current study is based on pure advection (i.e., plug flow) and mechanical dispersion while molecular diffusion effects are neglected due to relatively high groundwater velocities encountered in the aquifer. In addition, fate of contaminants is ignored hereby to simulate the worst-case scenario, which considers the contaminants of concern as tracer-like compounds for modeling purposes. The results of the modeling analysis are qualitatively compared with the County's regional model, and patterns of contaminant migration in the region are presented. (authors)

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Multiple elements of soil biodiversity drive ecosystem functions across biomes

The role of soil biodiversity in regulating multiple ecosystem functions is poorly understood, limiting our ability to predict how soil biodiversity loss might affect human wellbeing and ecosystem sustainability. Furthermore, combining a global observational study with an experimental microcosm study, we provide evidence that soil biodiversity (bacteria, fungi, protists and invertebrates) is significantly and positively associated with multiple ecosystem functions. These functions include nutrient cycling, decomposition, plant production, and reduced potential for pathogenicity and belowground biological warfare. Our findings also reveal the context dependency of such relationships and the importance of the connectedness, biodiversity and nature of the globally distributed dominant phylotypes within the soil network in maintaining multiple functions. Moreover, our results suggest that the positive association between plant diversity and multifunctionality across biomes is indirectly driven by soil biodiversity. Together, our results provide insights into the importance of soil biodiversity for maintaining soil functionality locally and across biomes, as well as providing strong support for the inclusion of soil biodiversity in conservation and management programmes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Life-cycle analysis of greenhouse gas emissions from renewable jet fuel production

Background: The introduction of renewable jet fuel (RJF) is considered an important emission mitigation measure for the aviation industry. This study compares the well-to-wake (WtWa) greenhouse gas (GHG) emission performance of multiple RJF conversion pathways and explores the impact of different co-product allocation methods. The insights obtained in this study are of particular importance if RJF is included as an emission mitigation instrument in the global Carbon Offsetting and Reduction Scheme for International Aviation (CORSIA). Results: Fischer–Tropsch pathways yield the highest GHG emission reduction compared to fossil jet fuel (86–104%) of the pathways in scope, followed by Hydrothermal Liquefaction (77–80%) and sugarcane- (71–75%) and corn stover-based Alcohol-to-Jet (60–75%). Feedstock cultivation, hydrogen and conversion inputs were shown to be major contributors to the overall WtWa GHG emission performance. The choice of allocation method mainly affects pathways yielding high shares of co-products or producing co-products which effectively displace carbon intensive products (e.g., electricity). Conclusions: Renewable jet fuel can contribute to significant reduction of aviation-related GHG emissions, provided the right feedstock and conversion technology are used. The GHG emission performance of RJF may be further improved by using sustainable hydrogen sources or applying carbon capture and storage. Based on the character and impact of different co-product allocation methods, we recommend using energy and economic allocation (for non-energy co-products) at a global level, as it leverages the universal character of energy allocation while adequately valuing non-energy co-products.

Bioenergy↗
DOE OSTI2017

Pathogenicity testing of influenza candidate vaccine viruses in the ferret model

The development of influenza candidate vaccine viruses (CVVs) for pre-pandemic vaccine production represents a critical step in pandemic preparedness. The multiple subtypes and clades of avian or swine origin influenza viruses circulating world-wide at any one time necessitates the continuous generation of CVVs to provide an advanced starting point should a novel zoonotic virus cross the species barrier and cause a pandemic. Furthermore, the evolution and diversity of novel influenza viruses that cause zoonotic infections requires ongoing monitoring and surveillance, and, when a lack of antigenic match between circulating viruses and available CVVs is identified, the production of new CVVs. Pandemic guidelines developed by the WHO Global Influenza Program govern the design and preparation of reverse genetics-derived CVVs, which must undergo numerous safety and quality tests prior to human use. Confirmation of reassortant CVV attenuation of virulence in ferrets relative to wild-type virus represents one of these critical steps, yet there is a paucity of information available regarding the relative degree of attenuation achieved by WHO-recommended CVVs developed against novel viruses with pandemic potential. To better understand the degree of CVV attenuation in the ferret model, we examined the relative virulence of six A/Puerto Rico/8/1934-based CVVs encompassing five different influenza A subtypes (H2N3, H5N1, H5N2, H5N8, and H7N9) compared with the respective wild-type virus in ferrets. Despite varied virulence of wild-type viruses in the ferret, all CVVs examined showed reductions in morbidity and viral shedding in upper respiratory tract tissues. Furthermore, unlike the wild-type counterparts, none of the CVVs spread to extrapulmonary tissues during the acute phase of infection. While the magnitude of virus attenuation varied between virus subtypes, collectively we show the reliable and reproducible attenuation of CVVs that have the A/Puerto Rico/9/1934 backbone in a mammalian model. - Highlights: • Confirmation of candidate vaccine viruses (CVVs) attenuation of virulence was demonstrated. • All influenza CVVs showed reductions in morbidity compared to wild-type (wt) viruses. • When compared with the wt viruses, all CVVs exhibited reductions in virus shedding in ferrets.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Observation of a pseudoscalar excess at the top quark pair production threshold

A search for resonances in top quark pair ($t\overline{t}$) production in final states with two charged leptons and multiple jets is presented, based on proton–proton collision data collected by the CMS experiment at the CERN LHC at $\sqrt{s}$ = 13 TeV , corresponding to 138 fb −1 . The analysis explores the invariant mass of the $t\overline{t}$ system and two angular observables that provide direct access to the correlation of top quark and antiquark spins. A significant excess of events is observed near the kinematic $t\overline{t}$ threshold compared to the non-resonant production predicted by fixed-order perturbative quantum chromodynamics (pQCD). The observed enhancement is consistent with the production of a color-singlet pseudoscalar ($^1S^{[1]}_{0}$) quasi-bound toponium state, as predicted by non-relativistic quantum chromodynamics. Using a simplified model for $^1S^{[1]}_{0}$ toponium, the cross section of the excess above the pQCD prediction is measured to be $8.8^{+1.2}_{-1.4}$ pb.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Surface-active antibiotic production as a multifunctional adaptation for postfire microorganisms

Abstract Wildfires affect soils in multiple ways, leading to numerous challenges for colonizing microorganisms. Although it is thought that fire-adapted microorganisms lie at the forefront of postfire ecosystem recovery, the specific strategies that these organisms use to thrive in burned soils remain largely unknown. Through bioactivity screening of bacterial isolates from burned soils, we discovered that several Paraburkholderia spp. isolates produced a set of unusual rhamnolipid surfactants with a natural methyl ester modification. These rhamnolipid methyl esters (RLMEs) exhibited enhanced antimicrobial activity against other postfire microbial isolates, including pyrophilous Pyronema fungi and Amycolatopsis bacteria, compared to the typical rhamnolipids made by organisms such as Pseudomonas spp. RLMEs also showed enhanced surfactant properties and facilitated bacterial motility on agar surfaces. In vitro assays further demonstrated that RLMEs improved aqueous solubilization of polycyclic aromatic hydrocarbons, which are potential carbon sources found in char. Identification of the rhamnolipid biosynthesis genes in the postfire isolate, Paraburkholderia kirstenboschensis str. F3, led to the discovery of rhlM, whose gene product is responsible for the unique methylation of rhamnolipid substrates. RhlM is the first characterized bacterial representative of a large class of integral membrane methyltransferases that are widespread in bacteria. These results indicate multiple roles for RLMEs in the postfire lifestyle of Paraburkholderia isolates, including enhanced dispersal, solubilization of potential nutrients, and inhibition of competitors. Our findings shed new light on the chemical adaptations that bacteria employ to navigate, grow, and outcompete other soil community members in postfire environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Planning of distributed data production for High Energy and Nuclear Physics

Modern experiments in High Energy and Nuclear Physics heavily rely on distributed computations using multiple computational facilities across the world. One of the essential types of the computations is a distributed data production where petabytes of raw files from a single source has to be processed once (per production campaign) using thousands of CPUs at distant locations and the output has to be transferred back to that source. The data distribution over a large system does not necessary match the distribution of storage, network and CPU capacity. Therefore, bottlenecks may appear and lead to increased latency and degraded performance. In this paper we propose a new scheduling approach for distributed data production which is based on the network flow maximization model. In our approach a central planner defines how much input and output data should be transferred over each network link in order to maximize the computational throughput. Such plans are created periodically for a fixed planning time interval using up-to-date information on network, storage and CPU resources. The centrally created plans are executed in a distributed manner by dedicated services running at participating sites. In conclusion, our simulations based on the log records from the data production framework of the experiment STAR (Solenoid Tracker at RHIC) have shown that the proposed model systematically provides a better performance compared to the simulated traditional techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2011

SMOS/SMAP Synergy for SMAP Level 2 Soil Moisture Algorithm Evaluation

Soil Moisture Active Passive (SMAP) satellite has been proposed to provide global measurements of soil moisture and land freeze/thaw state at 10 km and 3 km resolutions, respectively. SMAP would also provide a radiometer-only soil moisture product at 40-km spatial resolution. This product and the supporting brightness temperature observations are common to both SMAP and European Space Agency's Soil Moisture and Ocean Salinity (SMOS) mission. As a result, there are opportunities for synergies between the two missions. These include exploiting the data for calibration and validation and establishing longer term L-band brightness temperature and derived soil moisture products. In this investigation we will be using SMOS brightness temperature, ancillary data, and soil moisture products to develop and evaluate a candidate SMAP L2 passive soil moisture retrieval algorithm. This work will begin with evaluations based on the SMOS product grids and ancillary data sets and transition to those that will be used by SMAP. An important step in this analysis is reprocessing the multiple incidence angle observations provided by SMOS to a global brightness temperature product that simulates the constant 40 degree incidence angle observations that SMAP will provide. The reprocessed brightness temperature data provide a basis for evaluating different SMAP algorithm alternatives. Several algorithms are being considered for the SMAP radiometer-only soil moisture retrieval. In this first phase, we utilized only the Single Channel Algorithm (SCA), which is based on the radiative transfer equation and uses the channel that is most sensitive to soil moisture (H-pol). Brightness temperature is corrected sequentially for the effects of temperature, vegetation, roughness (dynamic ancillary data sets) and soil texture (static ancillary data set). European Centre for Medium-Range Weather Forecasts (ECMWF) estimates of soil temperature for the top layer (as provided as part of the SMOS ancillary data) were used to correct for surface temperature effects and to derive microwave emissivity. ECMWF data were also used for precipitation forecasts, presence of snow, and frozen ground. Vegetation options are described below. One year of soil moisture observations from a set of four watersheds in the U.S. were used to evaluate four different retrieval methodologies: (1) SMOS soil moisture estimates (version 400), (2) SeA soil moisture estimates using the SMOS/SMAP data with SMOS estimated vegetation optical depth, which is part of the SMOS level 2 product, (3) SeA soil moisture estimates using the SMOS/SMAP data and the MODIS-based vegetation climatology data, and (4) SeA soil moisture estimates using the SMOS/SMAP data and actual MODIS observations. The use of SMOS real-world global microwave observations and the analyses described here will help in the development and selection of different land surface parameters and ancillary observations needed for the SMAP soil moisture algorithms. These investigations will greatly improve the quality and reliability of this SMAP product at launch.

Bindlish, Rajat↗
NASA NTRS2010

Ares I-X Range Safety Simulation Verification and Analysis IV and V

NASA s ARES I-X vehicle launched on a suborbital test flight from the Eastern Range in Florida on October 28, 2009. NASA generated a Range Safety (RS) flight data package to meet the RS trajectory data requirements defined in the Air Force Space Command Manual 91-710. Some products included in the flight data package were a nominal ascent trajectory, ascent flight envelope trajectories, and malfunction turn trajectories. These data are used by the Air Force s 45th Space Wing (45SW) to ensure Eastern Range public safety and to make flight termination decisions on launch day. Due to the criticality of the RS data in regards to public safety and mission success, an independent validation and verification (IV&V) effort was undertaken to accompany the data generation analyses to ensure utmost data quality and correct adherence to requirements. Multiple NASA centers and contractor organizations were assigned specific products to IV&V. The data generation and IV&V work was coordinated through the Launch Constellation Range Safety Panel s Trajectory Working Group, which included members from the prime and IV&V organizations as well as the 45SW. As a result of the IV&V efforts, the RS product package was delivered with confidence that two independent organizations using separate simulation software generated data to meet the range requirements and yielded similar results. This document captures ARES I-X RS product IV&V analysis, including the methodology used to verify inputs, simulation, and output data for an RS product. Additionally a discussion of lessons learned is presented to capture advantages and disadvantages to the IV&V processes used.

Tarpley, Ashley↗
DOE OSTI2015

Simultaneous detection of electronic structure changes from two elements of a bifunctional catalyst using wavelength-dispersive X-ray emission spectroscopy and in situ electrochemistry.

Multielectron catalytic reactions, such as water oxidation, nitrogen reduction, or hydrogen production in enzymes and inorganic catalysts often involve multimetallic clusters. In these systems, the reaction takes place between metals or metals and ligands to facilitate charge transfer, bond formation/breaking, substrate binding, and release of products. In this study, we present a method to detect X-ray emission signals from multiple elements simultaneously, which allows for the study of charge transfer and the sequential chemistry occurring between elements. Kβ X-ray emission spectroscopy (XES) probes charge and spin states of metals as well as their ligand environment. A wavelength-dispersive spectrometer based on the von Hamos geometry was used to disperse Kβ signals of multiple elements onto a position detector, enabling an XES spectrum to be measured in a single-shot mode. This overcomes the scanning needs of the scanning spectrometers, providing data free from temporal and normalization errors and therefore ideal to follow sequential chemistry at multiple sites. We have applied this method to study MnOx-based bifunctional electrocatalysts for the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR). In particular, we investigated the effects of adding a secondary element, Ni, to form MnNiOx and its impact on the chemical states and catalytic activity, by tracking the redox characteristics of each element upon sweeping the electrode potential. The detection scheme we describe here is general and can be applied to time-resolved studies of materials consisting of multiple elements, to follow the dynamics of catalytic and electron transfer reactions.

Gul, Sheraz↗