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NASA NTRS2002

The Evolution of Disks and Winds in Dwarf Nova Outbursts - FUSE

This project was a project to study the FUV spectra of two proto-typical dwarf novae, U Gem and SS Cygni, through an outburst cycle. The luminosity of the boundary layer in the two systems, as evidenced by earlier EUVE observations, is different in the two systems. Our intensive study of the two systems was intended to (1) probe the ionization and kinematic structure of the wind as a function of system brightness, (2) isolate the contributions of the disk to the FUV spectra, and (3) examine physical conditions and abundances of material just being accreted onto the disk from the secondary. The U Gem and SS Cyg observations took place in March and October 2000, respectively. The data obtained with FUSE was of excellent quality. Analysis of the both observations is now essentially complete, although some modeling of the SS Cyg spectra is ongoing, as we complete an ApJ manuscript on this object. Our main results for U Gem are as follows: The plateau spectra have continuum shapes and fluxes that are approximated by steady state accretion disk model spectra with an accretion rate 7x10(exp 9) Msolar/yr. The spectra also show numerous absorption lines of H I, He II, and 2-5 times ionized transitions of C, N, O, P, S, and Si. There are no emission features in the spectra, with the possible exception of a weak feature on the red wing of the 0 VI doublet. The absorption lines are narrow (FWHM approx. 50 km/s), too narrow to arise from the disk photosphere, and at low velocities (less than or equal to 700 km/s). The S VI and O VI doublets are optically thick. The absorption lines in the plateau spectra show orbital variability: in spectra obtained at orbital phases between 0.53 and 0.79, low-ionization absorption lines appear and the central depths of the preexisting lines increase. The increase in line absorption occurs at the same orbital phases as previously observed EUV and X-ray light-curve dips. If the absorbing material is in (near-) Keplerian rotation around the disk, it must be located at large disk radii. The final observation occurred when U Gem was about 2 mag from optical quiescence. The spectra are dominated by emission from an approx. 43,000 K, metal-enriched white dwarf (WD). The inferred radius of the WD is 4.95x10(exp 8) cm, close to that observed in quiescence. Allowing for a hot heated region on the surface of the WD improves the fit to the spectrum at short (less than 960 A) wavelengths. Our main results for SS Cyg are as follows: The first two of four observations of SS Cyg show disk dominated spectra with accretion rates of order 10(exp -8) Msolar/yr. Except for narrow interstellar features (atomic and molecular H), the lines are all broad consistent with a disk or wind origin. The O VI line in the spectra is mostly of wind origin as detailed modeling with our Monte Carlo code (developed in part using funds from this project) show. The continua from spectra in observations 3 and 4, observed during the decline phase, are not well fit with steady-state disks, and show considerable resemblance to quiescent spectra obtained with HUT. The most probable interpretation for the emission features seen in the spectrum in the last two observations is that they arise from a photo-illuminated choronosphere above the disk, rather than a wind.

Long, Knox↗

NASA NTRS2003

SOHO Ultraviolet Coronagraph Spectrometer (UVCS) Mission Operations and Data Analysis

The scientific goal of UVCS is to obtain detailed empirical descriptions of the extended solar corona as it evolves over the solar cycle and to use these descriptions to identify and understand the physical processes responsible for coronal heating, solar wind acceleration, coronal mass ejections (CMEs), and the phenomena that establish the plasma properties of the solar wind as measured by 'in situ' solar wind instruments. This report covers the period from 01 February 2002 to 15 February 2003. During that time, UVCS observations have consisted of three types: 1) standard synoptic observations comprising, primarily, the H I Ly alpha line profile and the O VI 103.2 and 103.7 nm intensity over a range of heights from 1.5 to about 3.0 solar radii and covering 360 degrees about the sun, 2) sit and stare watches for CMEs, and 3) special observations designed by the UVCS Lead Observer of the Week for a specific scientific purpose. The special observations are often coordinated with those of other space-based and ground-based instruments and they often are part of SOHO joint observation programs and campaigns. Lead observers have included UVCS Co-Investigators, scientists from the solar physics community and several graduate and undergraduate level students. UVCS has continued to achieve its purpose of using powerful spectroscopic diagnostic techniques to obtain a much more detailed description of coronal structures and dynamic phenomena than existed before the SOHO mission. The new descriptions of coronal mass ejections (CMEs) and coronal structures from UVCS have inspired a large number of theoretical studies aimed at identifying the physical processes responsible for CMEs and solar wind acceleration in coronal holes and streamers. UVCS has proven to be a very stable instrument. Stellar observations have demonstrated its stability. UVCS has required no flight software modifications and all mechanisms are operational. The UVCS O VI Channel with its redundant optical path for wavelengths near H I Ly alpha is capable of observing the entire UVCS wavelength range. Since December 1998, the O VI Channel has been used for all UVCS observations. Although the H I Ly alpha Channel and detector are still operational, increases in the dark count up to about 5 x 10(exp -4) counts/sec/pixel and an increase in high voltage current to within a factor of two of the maximum used in the laboratory before flight led to the decision to not use that detector at the present time. There is no significant decrease in the scientific capability of UVCS owing to the O VI channel redundant optical path. UVCS data, data analysis software, calibration files and the mission log are available from the SOHO archive and SAO. All UVCS data is now available to scientists and the general public via the SOHO Data Archive and SAO within three months of the observations. UVCS has resulted in 46 scientific papers in 2002. There were numerous presentations at scientific meetings. All requests for observation time by qualified outside users have been granted.

Kohl, John L.↗

NASA NTRS2003

Velocity Structure and Plasma Properties in Halo CMEs

We have identified a set of 23 Halo CMEs through July 2002 and 21 Partial Halo CMEs from the LASCO Halo CME Mail Archive for which Ultraviolet Coronagraph Spectrometer (UVCS) spectra exist. For each event we have collected basic information such as the event speed, whether or not UVCS caught the bright front, lines detected, Doppler shift and associated flare class. We have also obtained excellent observations of some of the spectacular events in November 2003, and we have made theoretical calculations pertaining to CME expansion at the heights observed by UVCS. We first analyzed the halo CMEs on 21 April and 24 August 2002 and the partial halo on 23 July 2002, because the X-class flares associated with these CMEs were extensively observed by RHESSI and other instruments as part of the MAX MILLENIUM campaign. These very fast CMEs showed extremely violent disruption of the pre-CME streamers, little or no cool prominence material, and the unusual (for UVCS heights) hot emission line [Fe XVIII]. Results, including a discussion of the current sheet interpretation for the [Fe XVIII] emission, are published in Raymond et al. and presented at the Fall 2002 AGU meeting and the solar physics summer school in L'Aquila, Italy. We are currently preparing two papers on the Dec. 28, 2000 partial halo event. This event was chosen to take advantage of the SEP event measured by WIND and ACE, and because a Type II radio burst coincides with the time that broad, blue-shifted O VI emission appeared in the UVCS spectra. One paper deals with a new density and velocity diagnostic for very fast CMEs; pumping of O VI lambda 1032 by Ly beta and pumping of O VI lambda 1038 by O VI lambda 1032. The other discusses physics of the shock wave and association with the SEP event. In the coming year we plan to expand the list of Halo and Partial Halo events observed by UVCS through the end of 2003. We will look at those events as a class to search for correlation between UV spectral characteristics and other CME and flare parameters. We will also choose several events for more detailed study, probably including the November 2003 events. We expect to support extended visits to CfA by S. Mancuso and A. Ciaravella. In the past year the grant covered some salary support for members of the SAO UVCS team and a 1 month visit to CfA by Angela Ciaravella, along with trips to meetings by J. Lin and J. Raymond and page charges for two papers.

Wagner, William↗

NASA NTRS1990

Effects of zero gravity on myofibril content and isomyosin distribution in rodent skeletal muscle

The purpose of this experiment was to investigate the effects of 12.5 days of zero gravity (0 g) exposure (Cosmos 1887 Biosputnik) on the enzymatic properties, protein content, and isomyosin distribution of the myofibril fraction of the slow-twitch vastus intermedius (VI) and the fast-twitch vastus lateralis (VL) muscles of adult male rats. Measurements were obtained on three experimental groups (n = 5 each group) designated as flight group (FG), vivarium control (VC), and synchronous control (SC). Body weight of the FG was significantly lower than that of the two control groups (P less than 0.05). Compared with the two control groups, VI weight was lower by 23% (P less than 0.10), whereas no such pattern was apparent for the VL muscle. Myofibril yields (mg protein/g muscle) in the VI were 35% lower in the FG than in controls (P less than 0.05), whereas no such pattern was apparent for the VL muscle. When myofibril yields were expressed on a muscle basis (mg/g x muscle weight), the loss of myofibril protein was more exaggerated and suggests that myofibril protein degradation is an early event in the muscle atrophy response to 0 g. Analysis of myosin isoforms indicated that slow myosin (Sm) was the primary isoform lost in the calculated degradation of total myosin. No evidence of loss of the fast isomyosins was apparent for either muscle following spaceflight. Myofibril ATPase activity of the VI was increased in the FG compared with controls, which is consistent with the observation of preferential Sm degradation. These data suggest that muscles containing a high percentage of slow-twitch fibers undergo greater degrees of myofibril protein degradation than muscles containing predominantly fast-twitch fibers in response to a relatively short period of 0 g exposure, and the primary target appears to be the Sm molecule.

NASA Program Flight↗

NASA NTRS2006

The NASA Constellation University Institutes Project: Thrust Chamber Assembly Virtual Institute

This paper documents key aspects of the Constellation University Institutes Project (CUIP) Thrust Chamber Assembly (TCA) Virtual Institute (VI). Specifically, the paper details the TCA VI organizational and functional aspects relative to providing support for Constellation Systems. The TCA VI vision is put forth and discussed in detail. The vision provides the objective and approach for improving thrust chamber assembly design methodologies by replacing the current empirical tools with verified and validated CFD codes. The vision also sets out ignition, performance, thermal environments and combustion stability as focus areas where application of these improved tools is required. Flow physics and a study of the Space Shuttle Main Engine development program are used to conclude that the injector is the key to robust TCA design. Requirements are set out in terms of fidelity, robustness and demonstrated accuracy of the design tool. Lack of demonstrated accuracy is noted as the most significant obstacle to realizing the potential of CFD to be widely used as an injector design tool. A hierarchical decomposition process is outlined to facilitate the validation process. A simulation readiness level tool used to gauge progress toward the goal is described. Finally, there is a description of the current efforts in each focus area. The background of each focus area is discussed. The state of the art in each focus area is noted along with the TCA VI research focus in the area. Brief highlights of work in the area are also included.

Tucker, P. Kevin↗

NASA NTRS2016

How Universal is the Relationship Between Remotely Sensed Vegetation Indices and Crop Leaf Area Index? A Global Assessment

Leaf Area Index (LAI) is a key variable that bridges remote sensing observations to the quantification of agroecosystem processes. In this study, we assessed the universality of the relationships between crop LAI and remotely sensed Vegetation Indices (VIs). We first compiled a global dataset of 1459 in situ quality-controlled crop LAI measurements and collected Landsat satellite images to derive five different VIs including Simple Ratio (SR), Normalized Difference Vegetation Index (NDVI), two versions of the Enhanced Vegetation Index (EVI and EVI2), and Green Chlorophyll Index (CI(sub Green)). Based on this dataset, we developed global LAI-VI relationships for each crop type and VI using symbolic regression and Theil-Sen (TS) robust estimator. Results suggest that the global LAI-VI relationships are statistically significant, crop-specific, and mostly non-linear. These relationships explain more than half of the total variance in ground LAI observations (R2 greater than 0.5), and provide LAI estimates with RMSE below 1.2 m2/m2. Among the five VIs, EVI/EVI2 are the most effective, and the crop-specific LAI-EVI and LAI-EVI2 relationships constructed by TS, are robust when tested by three independent validation datasets of varied spatial scales. While the heterogeneity of agricultural landscapes leads to a diverse set of local LAI-VI relationships, the relationships provided here represent global universality on an average basis, allowing the generation of large-scale spatial-explicit LAI maps. This study contributes to the operationalization of large-area crop modeling and, by extension, has relevance to both fundamental and applied agroecosystem research.

Vegetation Index↗

NASA NTRS2017

VIII. New Zr IV-VII, Xe IV-V, and Xe VII Oscillator Strengths and the Al, Zr, and Xe Abundances in the Hot White Dwarfs G191-B2B and RE0503-289

Context: For the spectral analysis of high-resolution and high-signal-to-noise spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims: To search for zirconium and xenon lines in the ultraviolet (UV) spectra of G191−B2B and RE 0503−289, new Zr iv-vii, Xe iv-v, and Xe vii oscillator strengths were calculated. This allows, for the first time, determination of the Zr abundance in white dwarf (WD) stars and improvement of the Xe abundance determinations.Methods: We calculated Zr iv-vii, Xe iv-v, and Xe vii oscillator strengths to consider radiative and collisional bound-bound transitions of Zr and Xe in our NLTE stellar-atmosphere models for the analysis of their lines exhibited in UV observations of the hot WDs G191−B2B and RE 0503−289. Results: We identified one new Zr iv, 14 new Zr v, and ten new Zr vi lines in the spectrum of RE 0503−289. Zr was detected for the first time in a WD. We measured a Zr abundance of −3.5 +/- 0.2 (logarithmic mass fraction, approx. 11 500 times solar). We identified five new Xe vi lines and determined a Xe abundance of −3.9 +/- 0.2 (approx. 7500 times solar). We determined a preliminary photospheric Al abundance of −4.3 +/- 0.2 (solar) in RE 0503−289. In the spectra of G191−B2B, no Zr line was identified. The strongest Zr iv line (1598.948 Å) in our model gave an upper limit of −5.6 +/- 0.3 (approx. 100 times solar). No Xe line was identified in the UV spectrum of G191−B2B and we confirmed the previously determined upper limit of −6.8 +/- 0.3 (ten times solar). Conclusions: Precise measurements and calculations of atomic data are a prerequisite for advanced NLTE stellar-atmosphere modeling. Observed Zr iv-vi and Xe vi-vii line profiles in the UV spectrum of RE 0503−289 were simultaneously well reproduced with our newly calculated oscillator strengths.

Rauch, T.↗

NASA NTRS2018

Multi-Sensor Integration of Vegetation Index Products for Long-Term Monitoring of Vegetation Dynamics: A Case Study from MODIS to VIIRS

Spectral vegetation index (VI) time series data from moderate resolution sensors, such as Earth Observing System (EOS) Moderate Resolution Imaging Spectroradiometer (MODIS), have widely been used to identify "hot spot" areas of vegetation changes and to characterize long-term trends of vegetation changes. The Visible Infrared Imaging Radiometer Suite (VIIRS) sensor series of the Joint Polar Satellite System (JPSS) program is slated to continue the highly calibrated data stream initiated with MODIS. The first VIIRS sensor has operationally been acquiring Earth-reflected radiation since March 2012. The second VIIRS sensor (NOAA-20) was launched in November 2017, which is to continue the measurements made by the first VIIRS sensor. In this study, we examined an integrated use of MODIS and VIIRS VI time series data on capturing vegetation dynamics in the Asia-Pacific region using their overlapped period of observations (2013-2017). Three VIs, the "top-of-canopy (TOC)" normalized difference vegetation index (NDVI), TOC enhanced vegetation index (EVI), and TOC two-band enhanced vegetation index (EVI2), were investigated. For all the three VIs, VIIRS VIs were systematically higher than the MODIS counterparts due mainly to their spectral bandpass differences. However, both VIIRS and MODIS VIs showed the comparable spatial patterns in their temporal variations. Empirical spectral corrections allowed to merge the two data streams, which slightly improved the temporal resolution of the VI temporal profiles. These results suggest the suitability of VIIRS data to extend and merge into the MODIS VI record for long-term vegetation dynamics studies.

MODIS↗

DOE OSTI2022

Improved Control Strategy of Grid-Forming Inverters for Fault Ride-Through in a Microgrid System: Preprint

This paper develops improved control strategy of GFM inverter with fault ride-through (FRT) capabilities to guarantee stable operation of microgrid under fault conditions especially islanded microgrid and asymmetrical faults. The proposed control strategy includes dual control of positive-sequence and negative-sequence control, and the adaptive virtual impedance (VI) control. Unlike the existing works, the proposed strategy only applies the VI control for the d-component of the positive-sequence control and leaves the q-component of positive-sequence control and dq-component of negative-sequence control zero, thus achieving the improved stability and balanced three-phase voltage under asymmetrical faults. The adaptive feature of the VI control guarantees the stability of the GFM inverter under severe faults which could cause saturated inner current loop and instability if the VI is not adaptive. Simulation results of a phase-to-phase-ground fault show that the proposed control strategy improves the stability of GFM and achieves the stable and balanced output voltages in islanded microgrid.

fault ride-through↗

DOE OSTI2022

Evaluation of Oak Ridge National Laboratory Health Physics Research Reactor Operation Data for Critical Benchmark Creation [Abstract]

The Oak Ridge National Laboratory (ORNL) Health Physics Research Reactor (HPRR) was a research reactor designed and built at ORNL in 1961. The critical assembly was using a highly enriched uranium and molybdenum alloy as the fuel, and it could be operated in steady-state or burst modes. The reactor was used for about 25 years to produce a lot of publications related to dosimetry, radiobiology and radiation detectors testing before its decommissioning in 1987. In recent years, the idea of using legacy operation data from the to create a valuable critical accident alarm system shielding benchmark arose. Such a benchmark has been submitted to the International Criticality Safety Benchmark Experiment Project (ICSBEP) Technical Review Group for a potential inclusion in the 2022 version of the handbook. Another way to use the valuable data from the operation of the HPRR is to evaluate the feasibility of the creation of a subcritical or prompt supercritical benchmark for inclusion in the ICSBEP or the International Reactor Physics Experiments Evaluation Project (IRPhEP) handbooks. To initiate a burst, the HPRR had to be operated in a slightly subcritical state for a few minutes. Then, the insertion of the burst control rod would greatly increase the reactivity of the system and start the burst. No critical configuration of the HPRR critical assembly could be located. The only information available concerns stable subcritical and prompt supercritical states, found in a burst experiments’ logbook. In the recovered logbook pages, information about 8 different bursts is available. The information includes the rods positions before and during a burst, the recorded subcritical reactor period and reactivity, and the burst fission yield derived from the temperature elevation sulfur pellet irradiation analysis. By using the HPRR logbook information and the as-built drawings of the critical assembly, a highly detailed model of the HPRR was created with SCALE 6.2.4/KENO-VI. Eight KENO-VI models were created to replicate the sub-critical assembly configurations described in the eight bursts from the recovered logbook pages. KENO-VI calculates k eff and it can be linked to a reactivity value in cents by using the delayed neutron fraction B eff , also calculated by KENO-VI. KENO-VI can also be used to model the prompt super-critical configurations of the HPRR and to assess the similarity with the burst measurements by comparing the calculated k eff and the measured fission yields between each burst. Unfortunately, high uncertainty exist and the obtained discrepancies between experiments and calculation results are high, compromising the creation of a valuable critical benchmark from HPRR operation data. The reasons of the discrepancies and potential ways to solve them are explored.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Improved Control Strategy of Grid-Forming Inverters for Fault Ride-Through in a Microgrid System

This paper develops an improved control strategy of grid-forming (GFM) inverters with fault ride-through (FRT) capabilities to guarantee the stable operation of microgrids under fault conditions, especially islanded microgrids and asymmetrical faults. The proposed control strategy includes the dual control of positive-sequence and negative-sequence control as well as the adaptive virtual impedance (VI) control. Unlike existing works, the proposed strategy applies the VI control for only the d component of the positive-sequence control and leaves the q component of the positive-sequence control and the dq component of the negative-sequence control as zero, thus achieving improved stability and balanced three-phase voltages under asymmetrical faults. The adaptive feature of the VI control guarantees the stability of the GFM inverter under severe faults, which could cause the saturation of the inner current loop, and the instability if the VI is not adaptive. Simulation results of various unbalanced faults with high and low fault impedances show that the proposed control strategy improves the stability of the GFM inverter and achieves stable and balanced output voltages in islanded microgrids. And the algorithm also improves the stability of GFM inverters under balanced faults with high and low fault impedances.

adaptive virtual impedance control↗

DOE OSTI2022

Characterizing Radiation-Induced Chromium Redox Chemistry

The redox behavior of Cr(III) and Cr(VI) in nuclear environments were studied by analyzing aqueous irradiated chromium ions using UV-Visible spectroscopy. The formation of different chromium oxidation states can occur through gamma radiolysis of chromium solutions. Characterization of radiation-induced chromium is not well understood, and yet important as chromium can make its way into the primary coolant of reactors because of the corrosion of stainless steel reactor components. Furthermore, Cr(VI) is toxic and not suitable for environmental release, therefore Cr speciation is important. Fricke dosimetry was performed to collect doses rates, specific extinction coefficients were obtained from various analytical methods for the two oxidation states of chromium. Chromium samples--conditioned at various pH's and concentration to understand the effects--were then irradiated using a Coblat-60 gamma irradiator. Three optical spectroscopy analytical methods were used , including direct oxidation state measurements and complexation by either EDTA or DPC. Complexation by EDTA was found to not be a reliable method. Radiolytic oxidation of Cr(III) to Cr(VI), and reduction of Cr(VI) to Cr(III) were clearly seen, except for Cr(III) samples were a pH less than or equal to 2, where no change occurred.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2026

Oxidation of biogenic U(IV) mediated by iron-bearing clay minerals, iron-reducing bacteria, and organic ligands

Bioreduction of hexavalent uranium (U(VI)) to tetravalent uranium (U(IV)) by dissimilatory metal-reducing bacteria (DMRB) is considered an effective strategy for uranium immobilization in contaminated environments. However, U(IV) can be reoxidized to U(VI) under fluctuating redox conditions and remobilized. This work investigates the oxidation behavior of biogenic U(IV) in the presence of bioreduced iron-bearing clay minerals (rNAu-2), iron-reducing bacteria (Shewanella putrefaciens CN32), and organic ligands (ethylenediaminetetraacetic acid (EDTA) and citrate). Results demonstrate that the presence of CN32 significantly inhibits U(IV) oxidation. rNAu-2 exerted a context-dependent influence on U(IV) oxidation: its effect was masked by bicarbonate-promoted U(VI) mobilization in the absence of active CN32, but became detectable when CN32-mediated microbial protection slowed U(IV) oxidation. EDTA and citrate markedly accelerate U(IV) oxidation via formation of soluble U(IV)-ligand complexes, changing U(IV) redox potentials, and by promoting clay mineral dissolution that enhances Fe(II)/Fe(III) redox cycling. Collectively, our findings constrain the roles that clay minerals, iron-reducing bacteria, and organic ligands play in governing U(IV) stability, emphasizing the need to account for these factors in developing robust bioremediation strategies.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2021

Risk-based area of review estimation in overpressured reservoirs to support injection well storage facility permit requirements for CO 2 storage projects

This paper by the Energy & Environmental Research Center presents a workflow and modeling approach for delineating a risk-based area of review (AOR) to support a U.S. Environmental Protection Agency (EPA) Class VI permit for a carbon dioxide (CO 2 ) storage project. The approach combines semianalytical solutions for estimating formation fluid leakage through a hypothetical leaky wellbore with the results of numerical reservoir simulations to define the AOR. The modeling utilizes 1) semianalytical solutions from the peer-reviewed literature for formation fluid leakage through abandoned wellbores by Raven (1990) and Avci (1994), 2) a FORTRAN model compiled and described in Cihan et al. (2011, 2012) called ASLMA (Analytical Solution for Leakage in Multilayered Aquifers), and 3) a computational framework for estimating a risk-based AOR first proposed by Oldenburg et al. (2014, 2016). Therefore, the approach builds upon well-established research and underlying hydrogeological principles that have been upheld for nearly three decades. Moreover, the ASLMA model has been broadly applied to an array of storage projects. The work presented herein extends these earlier works using a custom wrapper written in the software environment, R (R Core Team, 2020), which was developed to perform multiple runs of the ASLMA model using given ranges for one or more input parameters. In addition, the current work simulates the pressure buildup within the storage reservoir in response to CO 2 injection using a compositional simulator to better accommodate the temporospatial evolution of pressure buildup within the storage reservoir that is more accurately modeled using a heterogeneous geologic model and a compositional simulator that accounts for the multiphase interactions. The workflow is demonstrated using a case study for a 180,000-metric-ton-per-year storage project located in the PCOR (Plains CO 2 Reduction) Partnership region. For the storage project evaluated here, under the scenario where the leaky wellbore is open to a saline aquifer (thief zone) between the overlying seal (cap rock) and the underground sources of drinking water (USDW), the risk-based AOR essentially collapses to the areal extent of the CO 2 plume in the storage reservoir because the pressure buildup in the storage reservoir beyond the CO 2 plume is insufficient to drive formation fluids up a hypothetical leaky wellbore into the USDW. However, even under the conservative assumption that the leaky wellbore is not open to a thief zone, beyond the areal extent of the CO 2 plume, the incremental leakage is less than 400 m 3 over 20 years, which represents ~0.0001% or less of the total volume of water contained within the USDW rock volume. As discussed in the text, the threshold criterion for defining the risk-based AOR is site-specific and should be informed by the results of the sensitivity analysis and available site characterization data. The approach outlined in this paper is designed to be protective of USDWs and, therefore, comply with the Safe Drinking Water Act requirements and provisions for the U.S. EPA Class VI Underground Injection Control (UIC) Program (Class VI Rule) and North Dakota Administrative Code Chapter 43-05-01.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Nuclear Data and Cross Section Testing Using ENDF/B-VIII.0

With the release of the Evaluated Nuclear Data File (ENDF)/B-VIII.0 library, nuclear criticality safety practitioners and engineers have access to the latest cross section sets available for their analyses. However, these cross sections must be rigorously tested and validated to ensure that the nuclear data are responsive to the needs of the individuals responsible for developing, implementing, and maintaining computational tools for criticality safety applications. Thus, the ENDF/B-VIII.0 library is tested and validated with a large collection of experiments that were vetted by the International Criticality Safety Benchmark Evaluation Project and made available in the International Handbook of Evaluated Criticality Safety Benchmark Experiments. A selection of benchmark experiments for use within the criticality safety community were prepared and reviewed within the Verified, Archived Library of Inputs and Data (VALID), which is maintained by the Nuclear Energy and Fuel Cycle Division at Oak Ridge National Laboratory. The performance of the ENDF/B-VIII.0 library is assessed by using VALID models of benchmark experiments with the beta 12 version of SCALE 6.3 KENO V.a and KENO-VI Monte Carlo codes. The performance is compared with the results obtained from with the ENDF/B-VII.1 library. This report considers multigroup (MG) and continuous energy (CE) formats of the ENDF/B-VIII.0 and -VII.1 libraries. The benchmark experiments within VALID that validate the ENDF/B-VIII.0 library cover 15 broad system categories by using a range of fissile materials, uranium enrichments, plutonium isotopic vectors, and mixed uranium/plutonium systems. These forms are represented as metals, solutions, or various arrays of rods or plates that cover a variety of neutron energy spectra: thermal, fast, mixed, and intermediate. Over 600 cases were considered for use with the KENO V.a and KENO-VI codes with the ENDF/B-VIII.0 library. The results of the Monte Carlo comparison of ENDF/B-VIII.0 to ENDF/B-VII.1 with both KENO V.a and KENO-VI indicate that there is a less than 0.53% Δk difference between the bias of calculated k eff from the expected values. The CE ENDF/B-VIII.0 library results in smaller magnitude biases than the ENDF/B-VII.1 data for HEU-MET-FAST, HEU-SOL-THERM, IEU-MET-FAST, LEU-SOL-THERM, PU-SOL-THERM, and U233-MET-FAST systems, while the MG results yielded smaller magnitude biases for HEU-MET-FAST, HEU-SOL-THERM, IEU-MET-FAST, LEU-COMP-THERM, LEU-SOL THERM, MIX-COMP-FAST, and U233-MET-FAST systems. Most notable are the adjustments to the plutonium and 233 U cross section data, which has resulted in noticeably lower biases in the ENDF/B VIII.0 results for the mixed, plutonium, and 233 U systems. Results of the sensitivity data file comparison generated from TSUNAMI-3D for selected VALID cases for the ENDF/B-VIII.0 library indicate a very high level of agreement with correlation coefficients of the effect of nuclear data uncertainty on k eff (the c k integral parameter) all above 0.99. This indicates that cases with the ENDF/B-VIII.0 library would see very similar responses to any nuclear data errors or change as those with the ENDF/B-VII.1 library.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Superoxide Radicals in Uranyl Peroxide Solids: Lasting Signatures Identified by Electron Paramagnetic Resonance Spectroscopy

Abstract U(VI) peroxide phases (studtite and meta‐studtite) are found throughout the nuclear fuel cycle and exist as corrosion products in high radiation fields. Peroxides are part of a family of reactive oxygen species (ROS) that include hydroperoxyl and superoxide species and are produced during alpha radiolysis of water. While U(VI) peroxides have been thoroughly investigated, the incorporation and stability of ROS species within studtite have not been validated. In the current study, electron paramagnetic resonance (EPR) spectroscopy was used to identify the presence of free radicals within a series of U(VI) peroxide samples containing depleted, highly enriched, and natural uranium. Density functional theory calculations indicated that the predicted EPR signals matched well with a superoxide (O 2 − ⋅) species incorporated into the studtite structure, confirming the presence of ROS in the material. Further analysis of samples that were synthesized between 1945 and 2023 indicated that there is a correlation between the radical signal and the product of specific activity multiplied by age of the sample.

Scherrer, Sarah K.↗

DOE OSTI2024

Superoxide Radicals in Uranyl Peroxide Solids: Lasting Signatures Identified by Electron Paramagnetic Resonance Spectroscopy

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

The crystal and coordination chemistry of neptunium in all its oxidation states: An expanded structural hierarchy of neptunium compounds

We report structures of 388 neptunium-bearing crystal structures are sorted into an expanded structural hierarchy and examined. The majority of structures contain Np(V) (149), Np(VI) (99), or Np(IV) (91) whereas structures containing Np(II), Np(III), Np(VII), or more than one oxidation state are rare. Coordination geometry of Np(V) and Np(VI) compounds is dominated by the approximately linear neptunyl cation. Actinyl–actinyl interactions (AAIs) are most prevalent in Np(V) compounds and are observed in 48% of these extended structures. Prismatic coordination geometries are commonly observed in Np(IV) compounds. Np(III) organometallic complexes display a variety of coordination modes. Coordination chemistry of Np(VII) compounds is dominated by the tetra-oxido core. Updated average bond length values are provided for Np(IV), Np(V), Np(VI), and Np(VII) compounds and updated bond valence parameters for Np(IV) are reported. A graphical notation system for neptunyl structures coordinated by organic ligands was developed to facilitate discussion and identify similarities between neptunyl compounds coordinated by oxyanions and neptunyl compounds coordinated by organic ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗