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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Isotopic discrimination of natural and anthropogenic perchlorate sources in groundwater in a semi-arid region of northeastern Oregon (USA)

Perchlorate (ClO 4 - ) has synthetic and natural sources. Synthetic ClO 4 - is released to the environment from its use as an oxidant in military and aerospace applications, and from its presence in a variety of common commercial products, such as safety flares, chlorate herbicides, and fireworks. Natural sources of ClO 4 - in the environment include imported nitrate fertilizers derived from salt deposits in the Atacama Desert of Chile and indigenous natural ClO 4 - that accumulates in unsaturated soils and groundwaters in other arid and semi-arid environments, largely from atmospheric deposition. The stable isotope ratios of chlorine ( 37 Cl/ 35 Cl) and oxygen ( 18 O/ 16 O, 17 O/ 16 O) and the isotopic abundance of radioactive 36 Cl in ClO 4 - can be used to discriminate these different sources. Perchlorate was previously detected at relatively high concentrations (3.8–34.7 μg/L) in groundwater from many wells in the Boardman-Umatilla area near the Columbia River in northeastern Oregon, which is a semi-arid, highly agricultural, heavily irrigated area that includes several past and current military installations. Eight representative groundwater wells were sampled throughout this region and isotopic characteristics of ClO 4 - collected from each well were measured along with other chemical and isotopic parameters including tritium and other groundwater age indicators. We report isotopic data indicate that indigenous natural ClO 4 - was present in groundwater from all sampled wells and was the predominant source in five of the wells. Synthetic ClO 4 - was present in the three remaining wells with natural ClO 4 - , and a minor fraction of Atacama-fertilizer-derived ClO4- was indicated in one of the wells. Data from this study expand the geographic area of the USA in which indigenous natural ClO 4 - has been detected to include the semi-arid northwest. This study also illustrates the role of irrigation recharge as a mechanism for producing relatively high concentrations of indigenous natural ClO 4 - in groundwater by flushing accumulated salts from the unsaturated zone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Performance Improvement of LTS Undulators for Synchrotron Light Sources

The joint expertise of ANL and FNAL has led to the production of $\text{Nb}_{3}\text{Sn}$ undulator magnets in operation in the ANL Advanced Photon Source (APS). These magnets showed performance reproducibility close to the short sample limit, and a design field increase of 20% at 820 A. However, the long training did not allow obtaining the expected 50% increase of the on-axis magnetic field with respect to the ∼1 T produced at 450 A current in the ANL NbTi undulator. To address this, 10-pole long undulator prototypes were fabricated, and CTD-101K was replaced as impregnation material with TELENE, an organic olefin-based thermosetting dicyclopentadiene resin produced by RIMTEC Corporation, Japan. Training and magnet retraining after a thermal cycle were nearly eliminated, with only a couple of quenches needed before reaching short sample limit at over 1,100 A. TELENE will enable operation of $\text{Nb}_{3}\text{Sn}$ undulators much closer to their short sample limit, expanding the energy range and brightness intensity of light sources. TELENE is Co-60 gamma radiation resistant up to 7–8 MGy, and therefore already applicable to impregnate planar, helical and universal devices operating in lower radiation environments than high energy colliders.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Simple effective conservative treatment of uncertainty from sparse samples of random functions

This paper examines the variability of predicted responses when multiple stress-strain curves (reflecting variability from replicate material tests) are propagated through a finite element model of a ductile steel can being slowly crushed. Over 140 response quantities of interest (including displacements, stresses, strains, and calculated measures of material damage) are tracked in the simulations. Each response quantity’s behavior varies according to the particular stress-strain curves used for the materials in the model. We desire to estimate response variability when only a few stress-strain curve samples are available from material testing. Propagation of just a few samples will usually result in significantly underestimated response uncertainty relative to propagation of a much larger population that adequately samples the presiding random-function source. A simple classical statistical method, Tolerance Intervals, is tested for effectively treating sparse stress-strain curve data. The method is found to perform well on the highly nonlinear input-to-output response mappings and non-standard response distributions in the can-crush problem. The results and discussion in this paper support a proposition that the method will apply similarly well for other sparsely sampled random variable or function data, whether from experiments or models. Finally, the simple Tolerance Interval method is also demonstrated to be very economical.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Demonstration of a laser-driven, narrow spectral bandwidth x-ray source for collective x-ray scattering experiments

X-ray Thomson scattering (XRTS) is a powerful diagnostic technique that involves an x-ray source interacting with a dense plasma sample, resulting in a spectrum of elastically and inelastically scattered x-rays. Depending on the plasma conditions, one can measure a range of parameters from the resulting spectrum, including plasma temperature, electron density, and ionization state. To achieve sensitivity to collective electron oscillations, XRTS measurements require limited momentum transfer where the spectral separation of elastic and inelastic scattering is small. Such measurements require an x-ray probe source with a narrow bandwidth in order to reduce the spectral overlap between scattering contributions, allowing for the different features to be more precisely deconvolved. In this investigation, we discuss the theory behind how the bandwidth for a common XRTS probe, Zn He-α emission at 9 keV, can be reduced using a Cu K-edge filter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Quantifying uncertainty in uranium concentration measurements via K-edge densitometry

This study quantifies the uncertainty in uranium concentration predictions of fluoride and chloride-based salts within a steel pipe using K-edge densitometry. Modeling and simulation was conducted with the Monte Carlo N-Particle Transport (MCNP) code. The quality of of this technique’s prediction in a pipe requires proper characterization of the pipe’s thickness, which is dependent on the source size and axial offset from the pipe centerline. The thickness was determined as either the center-line thickness seen by the X-ray source or an average value determined through random sampling. Generally, the predicted concentrations were slightly better at lower offset with the random sampling thickness and using the center-line thickness for the highest offsets. For a line-beam source and varying axial offsets, the relative error of concentration was within 1% of the true value but uncertainty increased by 2 orders of magnitude. Similarly, for no axial offset, the relative error was significantly less than 1% while no trend for uncertainty was found. However, at the largest possible offset for a given source size, the concentrations become erroneous and greater than the allowable 1% relative error. Furthermore, high offsets tended to increase the variance of the transmission spectra by 3 orders of magnitude.

Characterization and Analytical Technique↗
DOE OSTI2019

First Cosmology Results Using SNe Ia from the Dark Energy Survey: Analysis, Systematic Uncertainties, and Validation [First Cosmology Results Using Type IA Supernovae from the Dark Energy Survey: Analysis, Systematic Uncertainties, and Validation]

We present the analysis underpinning the measurement of cosmological parameters from 207 spectroscopically classified SNe Ia from the first 3 years of the Dark Energy Survey Supernova Program (DES-SN), spanning a redshift range of 0.017 < z < 0.849. We combine the DES-SN sample with an external sample of 122 low-redshift (z < 0.1) SNe Ia, resulting in a "DES-SN3YR" sample of 329 SNe Ia. Our cosmological analyses are blinded: after combining our DES-SN3YR distances with constraints from the Cosmic Microwave Background, our uncertainties in the measurement of the dark energy equation-of-state parameter, w, are 0.042 (stat) and 0.059 (stat+syst) at 68% confidence. We provide a detailed systematic uncertainty budget, which has nearly equal contributions from photometric calibration, astrophysical bias corrections, and instrumental bias corrections. We also include several new sources of systematic uncertainty. While our sample is less than one-third the size of the Pantheon sample, our constraints on w are only larger by 1.4×, showing the impact of the DES-SN Ia light-curve quality. We find that the traditional stretch and color standardization parameters of the DES-SNe Ia are in agreement with earlier SN Ia samples such as Pan-STARRS1 and the Supernova Legacy Survey. However, we find smaller intrinsic scatter about the Hubble diagram (0.077 mag). Interestingly, we find no evidence for a Hubble residual step (0.007 ± 0.018 mag) as a function of host-galaxy mass for the DES subset, in 2.4σ tension with previous measurements. In conclusion, we also present novel validation methods of our sample using simulated SNe Ia inserted in DECam images and using large catalog-level simulations to test for biases in our analysis pipelines.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

XXL-HSC: An updated catalogue of high-redshift ( z ≥ 3.5) X-ray AGN in the XMM-XXL northern field

X-rays offer a reliable method to identify active galactic nuclei (AGNs). However, in the high-redshift Universe, X-ray AGNs are poorly sampled due to their relatively low space density and the small areas covered by X-ray surveys. In addition to wide-area X-ray surveys, it is important to have deep optical data in order to locate the optical counterparts and determine their redshifts. Here, in this work, we built a high-redshift (z ≥ 3.5) X-ray-selected AGN sample in the XMM-XXL northern field using the most updated [0.5–2 keV] catalogue along with a plethora of new spectroscopic and multi-wavelength catalogues, including the deep optical Subaru Hyper Suprime-Cam (HSC) data, reaching magnitude limits i ~ 26 mag. We selected all the spectroscopically confirmed AGN and complement this sample with high-redshift candidates that are HSC g- and r-band dropouts. To confirm the dropouts, we derived their photometric redshifts using spectral energy distribution techniques. We obtained a sample of 54 high-z sources (28 with spec-z), the largest in this field so far (almost three times larger than in previous studies), and we estimated the possible contamination and completeness. We calculated the number counts (log N-log S) in different redshift bins and compared our results with previous studies and models. We provide the strongest high-redshift AGN constraints yet at bright fluxes (f 0.5 – 2 keV > 10 –15 erg s –1 cm –2 ). The samples of z ≥ 3.5, z ≥ 4, and z ≥ 5 are in agreement with an exponential decline model similar to that witnessed at optical wavelengths. Our work emphasises the importance of using wide-area X-ray surveys with deep optical data to uncover high-redshift AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Trace Impurities Identified as Forensic Signatures in CMX-5 Fuel Pellets Using X-ray Spectroscopic Techniques

We report that small-particle analysis is a highly promising emerging forensic tool for analysis of interdicted special nuclear materials. Integration of microstructural, morphological, compositional, and molecular impurity signatures could provide significant advancements in forensic capabilities. We have applied rapid, high-sensitivity, hard X-ray synchrotron chemical imaging to analyze impurity signatures in two differently fabricated fuel pellets from the 5th Collaborative Materials Exercise (CMX5) of the IAEA Nuclear Forensics International Working Group. The spatial distributions, chemical compositions, and morphological and molecular characteristics of impurities were evaluated using X-ray absorption near-edge structure (XANES) and X-ray fluorescence chemical imaging to discover principal impurities, their granularity, particle sizes, modes of occurrence (distinct grains vs incorporation in the UO 2 lattice), and sources and mechanisms of incorporation. Differences in UO 2+x stoichiometry were detected at the microscale in nominally identical UO 2 ceramics (CMX5-A and CMX5-B), implying the presence of multiple UO 2 host phases with characteristic microstructures and feedstock compositions. Al, Fe, Ni, W, and Zr impurities and integrated impurity signature analysis identified distinctly different pellet synthesis and processing methods. For example, two different Al, W, and Zr populations in the CMX5-B sample indicated a more complex processing history than the CMX5-A sample. K-edge XANES measurements reveal both metallic and oxide forms of Fe and Ni but with different proportions between each sample. Altogether, these observations suggest multiple sources of impurities, including fabrication (e.g., force-sieving) and feedstock (mineral oxides). This study demonstrates the potential of synchrotron techniques to integrate different signatures across length scales (angstrom to micrometer) to detect and differentiate between contrasting UO 2 fuel fabrication techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Design and Characterization of an Extremely-Sensitive, Large-Volume Gamma-Ray Spectrometer for Environmental Samples

A large volume gamma spectrometer was designed and constructed to analyze foodstuffs and environmental samples having low radionuclide concentrations. This system uses eight 11-cm × 42.5-cm × 5.5-cm NaI(Tl) detectors, chosen due to their relatively high sensitivity and availability and arranged in an octagonal configuration. The sensitive volume of the system is ~28 cm in diameter and ~42 cm deep. Shielding consists of an 86-cm × 86-cm square, 64-cm-tall lead brick enclosure with 18-cm-thick lead walls lined by 0.3-cm-thick copper plates. An aluminum top was machined to suspend the detectors within this shield. The shielding reduces background counts by 72% at 100 keV and 42% at 1,000 keV. The positional variability in sensitivity of the well was determined by both simulation and experiment. A 2.1-L volume of nearly uniform sensitivity, varying less than 10%, exists in the well's center. Energy resolutions of 14.6% and 7.8% were measured for 241 Am and 137 Cs, respectively. Energy resolution shows a 0.2% variation for both 241 Am and 137 Cs as a function of position within all regions of the well’s central sensitive volume. Dead time was also determined to be less than 35% for all sources measured in the system, the largest of which had an activity of 1,760 kBq. Simulated results for various source geometries show higher counts for smaller samples, especially at lower energies due to less attenuation of low energy photons. In conclusion, minimum detectable activities were determined for all source energies used, less than 5.1 Bq kg -1 for reasonable background and sample counting times.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Bootstrapping outperforms community‐weighted approaches for estimating the shapes of phenotypic distributions

Abstract Estimating phenotypic distributions of populations and communities is central to many questions in ecology and evolution. These distributions can be characterized by their moments (mean, variance, skewness and kurtosis) or diversity metrics (e.g. functional richness). Typically, such moments and metrics are calculated using community‐weighted approaches (e.g. abundance‐weighted mean). We propose an alternative bootstrapping approach that allows flexibility in trait sampling and explicit incorporation of intraspecific variation, and show that this approach significantly improves estimation while allowing us to quantify uncertainty. We assess the performance of different approaches for estimating the moments of trait distributions across various sampling scenarios, taxa and datasets by comparing estimates derived from simulated samples with the true values calculated from full datasets. Simulations differ in sampling intensity (individuals per species), sampling biases (abundance, size), trait data source (local vs. global) and estimation method (two types of community‐weighting, two types of bootstrapping). We introduce the traitstrap R package, which contains a modular and extensible set of bootstrapping and weighted‐averaging functions that use community composition and trait data to estimate the moments of community trait distributions with their uncertainty. Importantly, the first function in the workflow, trait_fill , allows the user to specify hierarchical structures (e.g. plot within site, experiment vs. control, species within genus) to assign trait values to each taxon in each community sample. Across all taxa, simulations and metrics, bootstrapping approaches were more accurate and less biased than community‐weighted approaches. With bootstrapping, a sample size of 9 or more measurements per species per trait generally included the true mean within the 95% CI. It reduced average percent errors by 26%–74% relative to community‐weighting. Random sampling across all species outperformed both size‐ and abundance‐biased sampling. Our results suggest randomly sampling ~9 individuals per sampling unit and species, covering all species in the community and analysing the data using nonparametric bootstrapping generally enable reliable inference on trait distributions, including the central moments, of communities. By providing better estimates of community trait distributions, bootstrapping approaches can improve our ability to link traits to both the processes that generate them and their effects on ecosystems.

Maitner, Brian S.↗
DOE OSTI2020

Propagating sample variance uncertainties in redshift calibration: simulations, theory, and application to the COSMOS2015 data

ABSTRACT Cosmological analyses of galaxy surveys rely on knowledge of the redshift distribution of their galaxy sample. This is usually derived from a spectroscopic and/or many-band photometric calibrator survey of a small patch of sky. The uncertainties in the redshift distribution of the calibrator sample include a contribution from shot noise, or Poisson sampling errors, but, given the small volume they probe, they are dominated by sample variance introduced by large-scale structures. Redshift uncertainties have been shown to constitute one of the leading contributions to systematic uncertainties in cosmological inferences from weak lensing and galaxy clustering, and hence they must be propagated through the analyses. In this work, we study the effects of sample variance on small-area redshift surveys, from theory to simulations to the COSMOS2015 data set. We present a three-step Dirichlet method of resampling a given survey-based redshift calibration distribution to enable the propagation of both shot noise and sample variance uncertainties. The method can accommodate different levels of prior confidence on different redshift sources. This method can be applied to any calibration sample with known redshifts and phenotypes (i.e. cells in a self-organizing map, or some other way of discretizing photometric space), and provides a simple way of propagating prior redshift uncertainties into cosmological analyses. As a worked example, we apply the full scheme to the COSMOS2015 data set, for which we also present a new, principled SOM algorithm designed to handle noisy photometric data. We make available a catalogue of the resulting resamplings of the COSMOS2015 galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Hydrocarbon Recovery from Williston Basin Shale and Mudrock Cores with Supercritical CO 2 : 2. Mechanisms That Control Oil Recovery Rates and CO 2 Permeation

In part 1 (10.1021/acs.energyfuels.9b01177), CO2 was used to recover oil from 51 source shale and reservoir mudrock cores collected from the Bakken Petroleum System in the Williston Basin. Oil hydrocarbon recoveries after 24 hexposures to CO2 at reservoir pressure and temperature were >94% for the reservoir mudrock cores and ranged from a few percent to as much as 80% for the source shales depending on the well location. In part 2, the experimental parameters that control oil recoveries were investigated, and the results show that exposed rock surface areas and CO2 contact times are primary factors controlling oil recovery at reservoir temperature and pressure. Compared to the 11.2 mm diameter rods used in part 1,increasing the surface area by splitting the rods into a stack of 2−3 mm thick “coins” doubled the oil recovery rates from both reservoir and source rocks, while further increasing the surface area using ground and sieved 1−3.4 mm samples at least tripledrecovery rates. In addition, extending the exposure time for the 11.2 mm diameter source shale rods to 96 h yielded nearly complete oil recoveries (as did the 24 h exposures with the 1−3.4 mm samples), indicating that pore spaces in the source shales as well as the more permeable reservoir rocks can be accessed by the CO2 and the associated oil hydrocarbons recovered. Higher CO 2 pressures yielded higher oil recoveries from both the reservoir rocks and source shales regardless of whether the exposure pressure was at or a little below, somewhat above, or substantially above the minimum miscibility pressure (MMP).Laboratory experiments also demonstrated that crude oil recoveries are based primarily on the ability of the CO 2 to penetrate the rock matrix and dissolve the oil hydrocarbons via hydrocarbon vaporization into the CO 2 phase rather than bulk physical processes (e.g., swelling, lowered viscosity, the physical “sweeping” effect) that are important in conventional CO 2 floods. Lighter hydrocarbons (e.g., C7 to C14) were recovered at much faster rates than heavier hydrocarbons (e.g., >C20) from all rock samples and geometries as well as for all CO2 pressures tested, as might be expected because lighter hydrocarbons have both higher diffusion coefficients and higher solubilities in CO 2 than heavier hydrocarbons. Limiting the amount of CO2 had little or no effect on the recovery rates of the lighter hydrocarbons but greatly reduced those of the heavier hydrocarbons. These two observations are consistent with a concentration-gradient-driven diffusion recovery mechanism. Laboratory results suggest that oil recovery in the Bakken play with CO2 will be enhanced by longer soak times, larger exposed rock surface areas, and higher pressures.

Energy & Fuels↗
DOE OSTI2018

A sample holder for simultaneous Raman and neutron vibrational spectroscopy

We have built a sample holder (called a center stick or sample stick) for performing simultaneous Raman and neutron vibrational spectroscopy on samples of material at the VISION neutron vibrational spectrometer of the Spallation Neutron Source at Oak Ridge National Laboratory. This equipment holds material samples in the neutron beam within the cryogenic environment of the VISION spectrometer, allowing for samples to be studied at temperatures as low as 5 K. It also provides the capability for gas to be loaded to or evacuated from the sample while it is loaded at VISION. The optical components for directing and filtering light are located within the cryogenic volume, in physical proximity to the sample. We describe the construction of this sample holder and discuss our first measurements of simultaneous Raman and neutron vibrational spectra. Here, the samples that we report on were of 4-nitrophenol at a temperature of 20 K and of cryogenic hydrogen of a number of different orthohydrogen fractions.

4-nitrophenol↗
DOE OSTI2020

UFCC Calibration Measurements for UO2 Samples

The uranium UF 6 coincidence counter (UFCC) was designed to measure 5A/B cylinders containing UF6 in the passive neutron self-interrogation mode. The purpose of the present report is to extend the UFCC capability to other sample types such as oxides and liquids that might be found during verification activities. A 252 Cf source was introduced into the detector to make the active mode measurements possible, because only the UF 6 samples have adequate neutron emission for self-interrogation. A customized HDPE insert was designed to position the 252 Cf source under the UO 2 sample cans. The sample enrichments varied from depleted to 93% to establish the shape of the calibration curve and the measurement uncertainties.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Radiological Monitoring Plan for the Oak Ridge Y-12 National Security Complex: Surface Water

DOE Order 458.1 requires that dose estimates consider contributions from all facilities. In the Y-12 Radiological Monitoring Plan (RMP), surface water is monitored at points that reflect individual facilities, as well as at points that reflect the combined contributions of all facilities. This monitoring plan does not consider other potential routes (i.e., airborne releases and food chains). Thus, a complete determination of total effective dose (TED) cannot be made based on this plan alone. The other routes from Y-12, and all routes from other DOE facilities on the Oak Ridge Reservation (e.g., Oak Ridge National Laboratory (ORNL) and The Heritage Center), must be considered in order to satisfy DOE Order 458.1 requirements. Determination of TED from all sites and pathways is done through the use of dose-assessment models and is documented in the Annual Site Environmental Report. This monitoring plan provides adequate monitoring goals for Y-12 surface water releases to provide input of sufficient sensitivity and accuracy to reliably determine the Y-12 surface water component of the TED. The routine radiological monitoring program is designed to monitor effluents at four types of locations: (1) treatment facilities, (2) other point and area source discharges, (3) instream locations, and (4) production building roof run-off. With this sampling and analysis program, data will be obtained on primary point sources as well as on locations that represent the composite of other potential sources. This plan will be reviewed periodically to determine necessary modifications to the sampling frequencies, parameters, and locations. Modifications, if any, will be based on the analysis of the previous data and its effectiveness in satisfying the objectives of this plan. Appendix A contains graphs of the sum of the DCS fractions for locations and frequencies contained in a previous version of this plan. The data was collected from January 2009 through December 2019. Each sample was analyzed, and each result was divided by the appropriate DCS to compute a DCS fraction. These fractions were summed for all isotopes. According to DOE –STD-1196-2011, the annual average of these sums should be below 1.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Assessment of Contaminant Bioaccumulation in Aquatic Biota on and Adjacent to the Oak Ridge Reservation—2020

This report provides information on contaminant concentrations in multiple wildlife prey species inhabiting or associated with water bodies on and downstream from the Oak Ridge Reservation (ORR), including regional reference sites. This information can be used to understand the nature and extent of contaminant exposure and transfer through the food web and to provide a baseline for evaluating temporal trends in contaminant exposure and accumulation. This information was gathered as part of the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) Five-Year Review (FYR) process, and it also addresses regulator comments on the annual Remediation Effectiveness Report (RER). This report summarizes the results of biological sampling completed in the spring and summer of 2020, prior to the 2021 FYR. Sampled locations included key sites upstream from the point sources of contaminants, along with watershed integration points on and off the ORR. Integration points are spatially the most important sampling sites because they capture biological responses to upstream contaminant inputs from both aqueous and groundwater sources, as well as responses to various remedial actions. These sites are most often located at a watershed administration unit boundary and may have regulatory significance for performance measures. In many cases, there are long-term biological and other monitoring data associated with these sites; these data generally fall within the areas of exposure and effects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Flammable Gas Generation and Control at the Idaho Completion Project Legacy Combustible Gas Generation - 20191

On April 11, 2018, four drums containing transuranic waste at the Idaho National Laboratory underwent over-pressurization, ejecting their lids and spreading radiological waste within a facility. An investigation has found that waste in the drums generated methane gas, which contributed to the event. Subsequent to the investigation, the potential for drums to have methane and other flammable analytes whose concentrations could approach or exceed the lower flammability limit (LFL) and the adequacy of the controls to prevent or mitigate a possible deflagration was evaluated. An extensive review of the historical records was performed to determine how many drums exceed the LFL. The historical record identified a small quantity of drums that exceeded the LFL for xylene, hydrogen, and methane. The primary codified applicable code or standard for handling drums is 29 CFR 1910.120 (j) 'Handling Drums and Containers.' It is used throughout the commercial and government sector. This code is integrated throughout the Fluor Idaho safety management programs and procedures to control the Standard Industrial Hazards (SIHs) associated with drum and container handling. Example requirements include: - Drums and containers are inspected, and their integrity assured prior to being moved. - Site operations are organized to minimize the amount of drum or container movement. - When there is a reasonable possibility of flammable atmospheres being present, material handling equipment and hand tools are of the type to prevent sources of ignition. Drums and containers under pressure, as evidenced by bulging or swelling, are not moved until the cause for excess pressure is determined and appropriate containment procedures have been implemented to protect employees from explosive relief of the drum. Drums which exceed the WIPP FGA limit have NCRs associated with them. Once a drum fails flammable gas sampling, an NCR is initiated. The NCR drives placement into NCR dense pack rows. A standing order drives placement of the FGA failures to a single planer segregation location. These drums are not allowed for further processing or shipment until the NCR has been cleared. Once in the single planer rows, follow-up FGA testing is performed by CCP. The NCR is dispositioned by follow-up sampling occurring after adequate time has been provided for the gas to diffuse through the filter assembly, or, in some cases, the drums are repackaged into additional drums to reduce the source term. To date, the ICP project has performed approximately 1.5 million drums moves without a deflagration event due to combustible gas generation. Flammable gas generation in a transuranic waste drum is not unique to the ICP but is common across the DOE complex. Based on the experience at Idaho, application of industry standards is sufficient to control the risk of drum deflagration due to drum movements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Proteomics Analysis of Human Contaminant Proteins

Complete characterization of unknowns via proteomics remains challenging. There exist regions of mass spectrometry-based proteomics data where empirical measurements are not attributed to peptides, and/or sequenced peptides from mass spectra are not attributed to any source. These uncharacterized regions are known as the “dark” proteome. Many proteomics tools rely on some a priori knowledge of sample composition; few tools allow for investigation of unknowns without relying on composition assumptions. Further, the potential low abundance of minor traces in these uncharacterized regions can make elucidation of the “dark” proteome challenging. Herein, we describe the development and evaluation of approaches to study the “dark” proteome and move towards an untargeted approach for more complete characterization, namely by studying minor human protein traces in non-human samples and combining that approach with non-human source organism identification without relying on assumptions. Human protein markers, in the form of genetically variant peptides, have been extensively examined in a variety of human matrices, including blood, plasma, and hair, but have yet to be investigated in non-human samples, such as cell cultures, as human contaminant traces. Genetically variant peptides are those that are found in proteins carrying single nucleotide polymorphisms. In this work, we aimed to (1) investigate the feasibility of detecting human contaminant genetically variant peptides (GVPs) in a diverse set of non-human organisms using public proteomics data and a computational pipeline, as well as to (2) develop a combined capability for untargeted source organism characterization and GVP detection. To our knowledge, this is the first report of applying these approaches towards a more complete proteomic characterization of unknowns. We successfully demonstrate the feasibility of broad human contaminant GVP detection in proteomics data, develop a better understanding of GVP detectability, characterize the sample-to-sample variability in GVP detection, and identify a core set of GVPs that can potentially be used as markers indicative of the human contaminant traces portion of the “dark” proteome. Further, we developed and evaluated a combined pipeline, MARLOWE-GVP, that enables both untargeted source organism characterization and GVP detection. We show high accuracy of correct source organism characterization and high degree of similarity of human contaminant GVP detection compared to the conventional approach. Success on both these efforts have allowed us to advance our understanding and characterization of the “dark” proteome.

59 BASIC BIOLOGICAL SCIENCES↗