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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Single-Step Selective Oxidation of Methane by Iron-Oxo Species in the Metal–Organic Framework MFU-4l

The direct and selective conversion of methane to methanol can be considered a holy grail for catalysis research. In this work, we study a metal-organic framework known as MFU-4l, modified by design to include highly reactive iron-oxo species for the catalytic C-H bond activation of methane. We investigate the oxidation of methane and the further potential oxidation of the product methanol using N 2 O as an oxygen source and map the potential energy landscape of these reactions using density functional theory calculations. We show that the highest energy barrier encountered during the methane oxidation process is not the C-H bond breaking, but the activation of the iron center by N 2 O. Furthermore, the potential energy landscape for the C-H bond activation exhibits a large, high-energy plateau region instead of a sharp transition state, thus differing from the traditional radical rebound mechanism. Furthermore, this insight offers interesting potential routes to enhance the catalytic activity of the catalyst, to hinder unwanted deactivation pathways, and to reduce the activity towards the over-oxidation of the product.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Vegetation Assessment at Project 57 for 2019

During the late 1950s, the Atomic Energy Commission (AEC), now the U.S. Department of Energy (DOE), conducted a series of experiments in Emigrant Valley to determine if a nuclear device subjected to a large conventional explosives detonation would result in a nuclear yield. One of these tests, Project 57, disseminated plutonium across the ground surface. Plutonium isotopes dispersed across the land surface can adhere to soil particles, particularly fine soil materials. Plutonium can be redistributed beyond the Contamination Area (CA) boundary by both wind and water. A vegetation survey was initiated in 2016 to assess the vegetation cover of the Project 57 CA and was repeated in 2018 and 2019. The purpose of the survey was to inform managers and provide data about the site’s vegetation with a perspective toward aeolian (wind) transport of soil particles. Results from the 2019 survey are reported here, with comparison to previous surveys. Perennial cover has remained stable (16 percent) during the survey time period, from 2016 to 2019. Shrub cover measured for the 2019 survey was calculated at 14 percent, which is slightly less than reported in earlier surveys but still typical for Great Basin valley shrublands. Annual plant cover was dramatically higher in 2019 at 33 percent, comprised primarily of forbs. This is because of the even distribution of precipitation events from the prior winter compared with previous years. Annual plant cover was 17 percent in 2016 and less than 2 percent in 2018. The spike in annual production following a wet winter demonstrates the variability and resiliency of the desert shrubland environment, which can be difficult to predict over long time periods. Consequently, the percent of bare soil was considerably less than seen in prior years, down from 60 percent to 47 percent, primarily because of the high percentage of annuals. The burned area of the CA remained dominated by native annual plants. The entirety of the plant cover within the burned area as surveyed was comprised of annuals (44 percent), primarily bristly fiddleneck (Amsinckia tessellata), leaving 56 percent of the burned area as bare ground. No bromus tectorum (cheatgrass) was recorded in the 2019 survey in the burned area, but it was observed throughout the area in general. Lacking perennial shrub cover and despite the dramatic increase in annual cover in 2019, the burned area remains a potential and geographically large source for sediment transport. Therefore, the variability of annual plant cover and the potential for changes in the perennial plant cover because of fire or drought mortality continues to suggest sediment transport from the Project 57 study site could vary dramatically over time.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Geobotanical determination of aggregate source material using Airborne Thematic Mapper imagery

The possible use of vegetation to discriminate parent materials for suitability as aggregate source material is examined. Airborne Thematic Mapper data of two test sites representing potential alluvial and residual source areas in central California were analyzed. It is found that the most useful images were composites that included principal components bands and a Perpendicular Vegetation Index band. The image processing demarcated species compositional differences which characterized a shale site and revealed differences in an alluvial site caused by moisture stress due to aggregate size and sorting.

Minor, Timothy↗
NASA NTRS2012

Non-Solar Photovoltaics for Small Space Missions

NASA has missions planned to targets in the solar system ranging from the permanently shadowed craters of Mercury to the icy reaches of the Kuiper belt and beyond. In 2011, the NASA Office of the Chief Technologist (OCT) requested the NASA Ames and Glenn Research Centers to assess the potential of small power supplies based on direct conversion of energy from radioisotope sources for future NASA missions; and in particular to assess whether alphavoltaic and betavoltaic power sources could be of potential benefit in small missions, as well as examining the use of miniaturized thermophotovoltaic power supplies. This paper summarizes the results of that assessment.

Landis, Geoffrey A.↗
DOE OSTI2012

ADRIANA project: Identification of research infrastructures for the SFR, within the frame of European industrial initiative for sustainable nuclear fission

Fast neutron reactors have a large potential as sustainable energy source. In particular, Sodium Fast Reactors (SFR) with a closed fuel cycle and potential for minor actinide burning may allow minimization of volume and heat load of high level waste and provide improved use of natural resources (as compared to only 1% energy recovery in the current once-through fuel cycle, with Thermal Reactors, such as EPR). The coordinating action ADRIANA (Advanced Reactor Initiative And Network Arrangement) has been initiated to set up a network dedicated to the construction and operation of research infrastructures in support of developments for the European Industrial Initiative for sustainable nuclear fission. The Project sets these objectives for the following reactor systems and related technologies: Sodium Fast Reactor (SFR), Lead Fast Reactor (LFR), Gas Fast Reactor (GFR, including very high temperature technologies), Instrumentation, diagnostics and experimental devices, Irradiation facilities and hot laboratories, Zero power reactors. Among the fast reactor systems, the sodium cooled reactor has the most comprehensive technological basis as result of the experience gained from worldwide operation of several experimental, prototype and commercial size reactors, since the forties (see Appendix I). This concept is currently considered as the reference, within the European strategy. Innovations are needed to further enhance safety, reduce capital cost and improve efficiency reliability and operability, making the Generation IV SFR an attractive option for electricity production. Currently, in France, a moderate (500 to 600 MWe) power demonstrator named ASTRID (Advanced Sodium Test Reactor for Industrial Demonstration) has been proposed and endorsed by EU. Presently, the reference configuration is a pool concept. General R and D needs have been identified and experimental facilities required to satisfy these needs have been listed for the following domains: material and coolant, thermal-hydraulics and safety, severe accidents, systems and components validation, instrumentation and Education and Training. Then, the contributors have detailed the different types of experimental facilities, existing as well as lacking facilities. A ranking procedure of the facilities has been carried out, then a list of priorities and a road-map for investment has been established. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

High Genetic Potential for Proteolytic Decomposition in Northern Peatland Ecosystems

Nitrogen (N) is a common limitation on primary productivity, and its source remains unresolved in northern peatlands that are vulnerable to environmental change. Decomposition of complex organic matter into free amino acids has been proposed as an important N source, but the genetic potential of microorganisms mediating this process has not been examined. Such information can inform possible responses of northern peatlands to environmental change. We show high genetic potential for microbial production of free amino acids across a range of microbial guilds in northern peatlands. In particular, the abundance and diversity of bacterial genes encoding proteolytic activity suggest a predominant role for bacteria in regulating productivity and contrasts with a paradigm of fungal dominance of organic N decomposition. Our results expand our current understanding of coupled carbon and nitrogen cycles in northern peatlands and indicate that understudied bacterial and archaeal lineages may be central in this ecosystem’s response to environmental change.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Wall charging of a helicon antenna wrapped plasma filled dielectric tube

Dielectric wall charging of a cylindrical glass wall surrounded by a helicon antenna of 18 cm length is measured in a linear helicon plasma device with a diverging magnetic field. The ions because of their lesser mobility do not respond to the high frequency electric field and the electrons charge the wall to a negative DC potential also known as the DC self-bias. The wall potential in this device is characterized for different neutral pressure, magnetic field, and radio frequency (RF) power. Axial variation of wall potential shows higher self-bias potentials near the antenna rings. Ion magnetization in the source chamber increases both wall charging and plasma potential of the source due to confinement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Automatic classification of time-variable X-ray sources

To maximize the discovery potential of future synoptic surveys, especially in the field of transient science, it will be necessary to use automatic classification to identify some of the astronomical sources. The data mining technique of supervised classification is suitable for this problem. Here, we present a supervised learning method to automatically classify variable X-ray sources in the Second XMM-Newton Serendipitous Source Catalog (2XMMi-DR2). Random Forest is our classifier of choice since it is one of the most accurate learning algorithms available. Our training set consists of 873 variable sources and their features are derived from time series, spectra, and other multi-wavelength contextual information. The 10 fold cross validation accuracy of the training data is ∼97% on a 7 class data set. We applied the trained classification model to 411 unknown variable 2XMM sources to produce a probabilistically classified catalog. Using the classification margin and the Random Forest derived outlier measure, we identified 12 anomalous sources, of which 2XMM J180658.7–500250 appears to be the most unusual source in the sample. Its X-ray spectra is suggestive of a ultraluminous X-ray source but its variability makes it highly unusual. Machine-learned classification and anomaly detection will facilitate scientific discoveries in the era of all-sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Impacts of nitrogen addition on switchgrass root-associated diazotrophic community structure and function

ABSTRACT Cellulosic bioenergy crops, like switchgrass (Panicum virgatum), have potential for growth on lands unsuitable for food production coupled with potential for climate mitigation. Sustainability of these systems lies in identifying conditions that promote high biomass yields on marginal lands under low-input agricultural practices. Associative nitrogen fixation (ANF) is a potentially important nitrogen (N) source for these crops, yet ANF contributions to plant N, especially under fertilizer N addition are unclear. In this study, we assess structure (nifH) and function (ANF) of switchgrass root-associated diazotrophic communities to long-term and short-term N additions using soil from three marginal land sites. ANF rates were variable and often unexpectedly high, sometimes 10× greater than reported in the literature, and did not respond in repeatable ways to long-term or short-term N. We found few impacts of N addition on root-associated diazotrophic community structure or membership. Instead, we found a very consistent root-associated diazotrophic community even though switchgrass seeds were germinated in soil from field sites with distinct diazotrophic communities. Ultimately, this work demonstrates that root-associated diazotrophic communities have the potential to contribute to switchgrass N demands, independent of N addition, and this may be driven by selection of the diazotrophic community by switchgrass roots.

Microbiology↗
DOE OSTI2023

Sensitivity of the Cherenkov Telescope Array to spectral signatures of hadronic PeVatrons with application to Galactic Supernova Remnants

The local Cosmic Ray (CR) energy spectrum exhibits a spectral softening at energies around 3 PeV. Sources which are capable of accelerating hadrons to such energies are called hadronic PeVatrons. However, hadronic PeVatrons have not yet been firmly identified within the Galaxy. Several source classes, including Galactic Supernova Remnants (SNRs), have been proposed as PeVatron candidates. The potential to search for hadronic PeVatrons with the Cherenkov Telescope Array (CTA) is assessed. The focus is on the usage of very high energy γ-ray spectral signatures for the identification of PeVatrons. Assuming that SNRs can accelerate CRs up to knee energies, the number of Galactic SNRs which can be identified as PeVatrons with CTA is estimated within a model for the evolution of SNRs. Additionally, the potential of a follow-up observation strategy under moonlight conditions for PeVatron searches is investigated. Statistical methods for the identification of PeVatrons are introduced, and realistic Monte-Carlo simulations of the response of the CTA observatory to the emission spectra from hadronic PeVatrons are performed. Based on simulations of a simplified model for the evolution for SNRs, the detection of a γ-ray signal from in average 9 Galactic PeVatron SNRs is expected to result from the scan of the Galactic plane with CTA after 10 h of exposure. Finally, CTA is also shown to have excellent potential to confirm these sources as PeVatrons in deep observations with $\mathscr{O}$ (100) hours of exposure per source.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Extragalactic foreground contamination in temperature-based CMB lens reconstruction

We discuss the effect of unresolved point source contamination on estimates of the CMB lensing potential, from components such as the thermal Sunyaev-Zel'dovich effect, radio point sources, and the Cosmic Infrared Background. We classify the possible trispectra associated with such source populations, and construct estimators for the amplitude and scale-dependence of several of the major trispectra. We show how to propagate analytical models for these source trispectra to biases for lensing. We also construct a ''source-hardened'' lensing estimator which experiences significantly smaller biases when exposed to unresolved point sources than the standard quadratic lensing estimator. We demonstrate these ideas in practice using the sky simulations of Sehgal et al., for cosmic-variance limited experiments designed to mimic ACT, SPT, and Planck. We find that for radio sources and SZ the bias is significantly reduced, but for CIB it is essentially unchanged. However, by using the high-frequency, all-sky CIB measurements from Planck and Herschel it may be possible to suppress this contribution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The D-D Neutron Generator as an Alternative to Am(Li) Isotopic Neutron Source in the Active Well Coincidence Counter

The 235 U mass assay of bulk uranium items, such as oxide canisters, fuel pellets, and fuel assemblies, is not achievable by traditional gamma-ray assay techniques due to the limited penetration of the item by the characteristic 235 U gamma rays. Instead, fast neutron interrogation methods such as active neutron coincidence counting must be used. For international safeguards applications, the most commonly used active neutron systems, the Active Well Coincidence Counter (AWCC), Uranium Neutron Collar (UNCL) and 252 Cf Shuffler, rely on fast neutron interrogation using an isotopic neutron source [i.e., 252 Cf or Am(Li)] to achieve better measurement accuracies than are possible using gamma-ray techniques for high-mass, high-density items. However, the Am(Li) sources required for the AWCC and UNCL systems are no longer manufactured, and newly produced systems rely on limited supplies of sources salvaged from disused instruments. The 252 Cf shuffler systems rely on the use of high-output 252 Cf sources, which while still available have become extremely costly for use in routine operations and require replacement every five to seven years. Lack of a suitable alternative neutron interrogation source would leave a potentially significant gap in the safeguarding of uranium processing facilities. In this work, we made use of Oak Ridge National Laboratory’s (ORNL’s) Large Volume Active Well Coincidence Counter (LV-AWCC) and a commercially available deuterium-deuterium (D-D) neutron generator to examine the potential of the D-D neutron generator as an alternative to the isotopic sources. We present the performance of the LV-AWCC with D-D generator for the assay of 235 U based on the results of Monte Carlo N-Particle (MCNP) simulations and measurements of depleted uranium (DU), low enriched uranium (LEU), and highly enriched uranium (HEU) items.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2012

Fluid Expulsion, Habitability, and the Search for Life on Mars

Habitability assessments are critical for identifying settings in which potential biosignatures could exist in quantities large enough to be detected by rovers. Habitability depends on 1) the potential for long-lived liquid water, 2) conditions affording protection from surface processes destructive to organic biomolecules, and 3) a source of renewing nutrients and energy. Of these criteria, the latter is often overlooked. Here we present an analysis of a large "ghost" crater in northern Chryse Planitia [1] that appears to have satisfied each of these requirements, with several processes providing potential sources of nutrient/energy renewal [1-2]. This analysis can serve as a model for identifying other localities that could provide similarly favorable settings in which to seek evidence of life on Mars.

Oehler, Dorothy Z.↗
DOE OSTI2017

Models and Simulation Environment for the Design and Optimization of Hybrid Energy Systems

The energy landscape in the U.S. is changing with proposed federal regulations limiting carbon dioxide emissions and with government credits for 'clean' energy technologies. This shift in the market conditions, especially in deregulated markets, has already resulted in the closing of coal power plants. Previously these coal plants served to balance variation in load. The resulting loss of electricity production is being made up in part with increased renewable generation. This set of governmental policy changes potentially presents expanded opportunities for both renewable energy and nuclear energy to become significant energy sources in the future. Potential synergies exist that can reduce greenhouse gas (GHG) emissions and provide affordable, sustainable energy. Combining multiple energy production, conversion, storage, and consumption facilities can leverage these potential synergies. This research focuses on integrating nuclear power plants within systems with increased renewable penetration, referred to as a nuclear renewable hybrid energy system (NRHES). Industrial-scale nuclear renewable hybrid energy systems have the potential to provide grid services such as dispatchable generation, storage, ancillary services, and power regulation. The problem of designing, analyzing, and optimizing the NHRES is being undertaken by a multi-laboratory team. The effort requires the collaboration of experts across engineering disciplines with methods and results to be shared by these experts. To facilitate collaborations a common system modeling and analysis language is adopted along with open-source libraries and interface standards that support data exchange among the models. Modelica was selected as the common language based on its prior use by team members at each of Idaho National Laboratory, Oak Ridge National Laboratory, and Argonne National Laboratory.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Very high-energy gamma-ray follow-up program using neutrino triggers from IceCube

We describe and report the status of a neutrino-triggered program in IceCube that generates real-time alerts for gamma-ray follow-up observations by atmospheric-Cherenkov telescopes (MAGIC and VERITAS). While IceCube is capable of monitoring the whole sky continuously, high-energy gamma-ray telescopes have restricted fields of view and in general are unlikely to be observing a potential neutrino-flaring source at the time such neutrinos are recorded. The use of neutrino-triggered alerts thus aims at increasing the availability of simultaneous multi-messenger data during potential neutrino flaring activity, which can increase the discovery potential and constrain the phenomenological interpretation of the high-energy emission of selected source classes (e.g. blazars). Here, the requirements of a fast and stable online analysis of potential neutrino signals and its operation are presented, along with first results of the program operating between 14 March 2012 and 31 December 2015.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2018

Very Narrow Coronal Mass Ejections Producing Solar Energetic Particles

Aims. Our main aim is to study the relationship between low-energy solar particles (energies below 1 MeV) and very narrow coronal mass ejections (“jets” with angular width ≤ 20°). Methods. For this purpose, we considered 125 very narrow coronal mass ejections (CMEs) from 1999 to 2003 that are potentially associated with low-energy solar particles (LESPs). These events were chosen on the basis of their source location. We studied only very narrow CMEs at the western limb, which are expected to have good magnetic connectivity with Earth. Results. We found 24 very narrow CMEs associated with energetic particles such as ions (protons and 3He), electrons, or both. We show that arrival times at Earth of energetic particles are consistent with onset times of the respective CMEs, and that in the same time intervals, there are no other potential sources of energetic particles. We also demonstrate statistical differences for the angular width distributions using the Kolmogorov–Smirnov test for angular widths for these 24 events. We consider a coherent sample of jets (mostly originating from boundaries of coronal holes) to identify properties of events that produce solar energetic particles (velocities, widths, and position angles). Our study presents a new approach and result: very narrow CMEs can generate low-energy particles in the vicinity of Earth without other activity on the Sun. The results could be very useful for space weather forecasting.

Bronarska, K.↗
DOE OSTI2023

Applying the core-satellite species concept: Characteristics of rare and common riverine dissolved organic matter

Introduction: Dissolved organic matter (DOM) composition varies over space and time, with a multitude of factors driving the presence or absence of each compound found in the complex DOM mixture. Compounds ubiquitously present across a wide range of river systems (hereafter termed core compounds) may differ in chemical composition and reactivity from compounds present in only a few settings (hereafter termed satellite compounds). Here, we investigated the spatial patterns in DOM molecular formulae presence (occupancy) in surface water and sediments across 97 river corridors at a continental scale using the “Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems—WHONDRS” research consortium. Methods: We used a novel data-driven approach to identify core and satellite compounds and compared their molecular properties identified with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results: In this work, we found that core compounds clustered around intermediate hydrogen/carbon and oxygen/carbon ratios across both sediment and surface water samples, whereas the satellite compounds varied widely in their elemental composition. Within surface water samples, core compounds were dominated by lignin-like formulae, whereas protein-like formulae dominated the core pool in sediment samples. In contrast, satellite molecular formulae were more evenly distributed between compound classes in both sediment and water molecules. Core compounds found in both sediment and water exhibited lower molecular mass, lower oxidation state, and a higher degree of aromaticity, and were inferred to be more persistent than global satellite compounds. Higher putative biochemical transformations were found in core than satellite compounds, suggesting that the core pool was more processed. Discussion: The observed differences in chemical properties of core and satellite compounds point to potential differences in their sources and contribution to DOM processing in river corridors. Overall, our work points to the potential of data-driven approaches separating rare and common compounds to reduce some of the complexity inherent in studying riverine DOM.

54 ENVIRONMENTAL SCIENCES↗