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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The iodine-129 paradox in nuclear waste management strategies

Nuclear energy has an important role in the low-carbon energy transition, but the safety of spent nuclear fuel (SNF) management remains a public concern. Here, in this study, we investigate the interplay between waste management strategies and their environmental impacts with a particular focus on a highly mobile and persistent radionuclide, iodine-129 (I-129), which is the dominant risk contributor from SNF disposal and at existing groundwater contamination sites. The results show that the current recycling practice releases more than 90% of I-129 in SNF into the present-day biosphere using an isotropic dilution strategy, whereas the direct disposal of SNF in geological repositories is likely to delay and reduce the release by 8 orders of magnitude. In addition, our data synthesis of surface water concentrations near four nuclear facilities shows that the release-dilution strategy results in lower concentrations than regulatory standards, while insufficient waste isolation in the past has resulted in locally high concentrations within one site. Our analysis suggests that it is essential to consider effluents more explicitly as a part of the waste, that as society moves from dilution to isolation of waste, the potential risks of waste isolation to local regions should be carefully evaluated, and that excessive burdens of proof could hinder or discourage waste isolation. Comprehensive waste management strategies—considering not just volume but also mobility, isolation technologies and ultimate fates—are needed for persistent contaminants. This study offers valuable insights for optimizing the management of SNF and other persistent contaminants.

Wainwright, Haruko M. [Massachusetts Inst. of Tech↗
DOE OSTI2023

System Analysis Support of Consent-Based Siting Efforts - 23400

To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the Integrated Waste Management (IWM) program within the U.S. Department of Energy, Office of Nuclear Energy (DOE-NE) has been sponsoring the development and application of system analysis tools capable of analyzing various system options for the management of spent nuclear fuel (SNF) and high-level radioactive waste. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate things like the implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed system operation start dates. Some example system analysis results have been published previously. With the passage of the consolidated appropriations acts for fiscal years 2021 and 2022, Congress provided funding and direction for the DOE to move forward with interim storage to support near-term action in managing the nation’s SNF as an important component of an IWMS. Consent-based siting is a phased, adaptive, and collaborative approach to siting facilities that focuses on the needs and concerns of people and communities. Communities participate in the siting process by working carefully through a series of phases and steps with the DOE (as the implementing organization). Each step and phase helps a community determine whether and how hosting a facility to manage SNF is aligned to the community’s goals. By its nature, a consent-based siting process must be transparent, flexible, adaptive, and responsive to community concerns. Thus, the phases and steps are intended to serve as a guide, not a prescriptive set of instructions. System analysis research analysts interface with DOE’s consent-based siting for a federal interim storage program and can perform preliminary system analyses as requested to support various aspects of the consent-based siting team’s work. This paper provides an overview of IWM program’s system analysis activities that support the ongoing consent-based siting process. The questions that decision-makers, planners, communities, and stakeholders might have during the consent-based siting process are similar to questions that have been explored by system analysts previously. Specifically, this paper discusses work that will inform consent-based siting efforts in the areas of community impacts, cost estimates, various SNF acceptance rates by potential facilities, potential consolidated interim storage facility (CISF) capacities and configurations, and the implications of a CISF on the overall waste management system. It is expected that system analysis will continue to be performed to support the consent-based siting process in the future.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase

Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mt), is one of the deadliest infectious diseases. The rise of multidrug-resistant strains represents a major public health threat, requiring new therapeutic options. Bacterial aminoacyl-tRNA synthetases (aaRS) have been shown to be highly promising drug targets, including for TB treatment. These enzymes play an essential role in translating the DNA gene code into protein sequence by attaching specific amino acid to their cognate tRNAs. They have multiple binding sites that can be targeted for inhibitor discovery: amino acid binding pocket, ATP binding pocket, tRNA binding site and an editing domain. Recently we reported several high-resolution structures of M. tuberculosis phenylalanyl-tRNA synthetase (MtPheRS) complexed with tRNA Phe and either L-Phe or a nonhydrolyzable phenylalanine adenylate analog. Here, in this study, using Nucleic Magnetic Resonance (NMR) and Surface Plasmon Resonance (SPR) we identified fragments that bind to MtPheRS and we determined crystal structures of their complexes with MtPheRS/tRNA Phe . All the binders interact with the L-Phe amino acid binding site. The analysis of interactions of the new compounds combined with adenylate analog structure provides insights for the rational design of antituberculosis drugs. The 3 ' arm of the tRNA Phe in all the structures was disordered with exception of one complex with D-735 compound. In this structure the 3' CCA end of the acceptor stem is observed in the editing domain of MtPheRS providing insights regarding the post-transfer editing activity of class II aaRS.

Gade, Priyanka [Univ. of Chicago, IL (United State↗
DOE OSTI2022

Solution-processable copper(I) iodide-based inorganic-organic hybrid semiconductors composed of both coordinate and ionic bonds

Three new one-dimensional (1D) All-In-One (AIO) type CuI-based hybrid semiconductors with both dative and ionic bonds between the inorganic and organic components have been successfully designed and synthesized by using the ligands containing both cationic center and coordination available sites. Structural analysis confirms that all compounds share the same formula of Cu 4 I 6 (L) 2 (L = ligand) and are composed of 1D-Cu 4 I 6 2- anionic chains that coordinate to cationic ligands. Additionally, these materials demonstrate high stability towards heat and moisture and excellent solution processability due to their unique bonding nature. They emit low energy light ranging from green to orange color (530-590 nm). The origin and mechanism of their emissions were studied by both experimental and theoretical methods. More importantly, all compounds can be easily fabricated into films by solution process, a desired but rare feature for most of CuI-based hybrids built of extended networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The cost of direct air capture and storage can be reduced via strategic deployment but is unlikely to fall below stated cost targets

Carbon dioxide removal (CDR) is necessary to minimize the impact of climate change by tackling hard-toabate sectors and historical emissions. Direct air capture and storage (DACS) is an important CDR technology, but it remains unclear when and how DACS can be economically viable. Here, we use a bottom-up engineering-economic model together with top-down technological learning projections to calculate plant-level cost trajectories for four DACS technologies. Our analysis demonstrates that the costs of these technologies can plateau by 2050 at around $\$$100-600 t-CO 2 -1 mainly via capital cost reduction through aggressive deployment, but still exceed the optimistic targets defined by countries such as the US (i.e., $\$$100 t-CO 2 -1 ). A further analysis of existing policy mechanisms indicates that strong, project-catered policy support will be required to create market opportunities, accelerate DACS scale-up and lower the costs further. Our work suggests that strategic DACS deployment and operation must be coupled with strong policies to minimise the cost of DACS and maximise the opportunity to make a planet-scale climate impact.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Evolution of LIBS technology to mobile instrumentation for expediting firearm-related investigations at the laboratory and the crime scene

Gunshot residue (GSR) is one of the few forensic disciplines that lack accurate screening techniques. This study proposes using a mobile LIBS instrument to detect inorganic GSR and compares performance to a previously validated laboratory instrument. The mobile LIBS is designed with advanced configurations specifically for on-site GSR analysis, including a CMOS detector and a sampling chamber that holds up to six typical GSR collection devices with separate gas flow ports to prevent cross-contamination. A significant novelty of the portable instrument is its image magnification, which allows quick searching and visualization of GSR particle morphology. The single-particle imaging and elemental composition capability is one of a kind and offers superior confirmatory features for GSR. The mobile LIBS performance was evaluated for residues collected from the hands of shooters (100 samples) and non-shooters (200 background samples), analyzed sequentially by the mobile instrument and then the laboratory instrument. Accuracies better than 98.8% were obtained by both instruments, demonstrating their suitability for trace IGSR detection from skin specimens. Implementation of this methodology is anticipated to drastically speed up response times (i.e., from several hours per sample by standard SEM-EDS practice to a few minutes by LIBS). The screening methods can be easily incorporated into workflows to improve decision-making processes at the crime scene and laboratory settings, reduce backlogs, and improve case management.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Imprint of Anthropogenic Sources and Soil Removal on the Surface Concentration of H2 in the Contiguous US

Hydrogen (H2) is experiencing renewed interest throughout the world as a low carbon fuel alternative or complement to fossil fuels. Significant uncertainties remain regarding the environmental impact of increasing H2 usage, in part due to gaps in our understanding of the H2 atmospheric budget, including the H2 release from industrial activities and the H2 soil removal, the most important sink of H2. This study focuses on H2 dry air mole fractions measured by the NOAA Global Monitoring Laboratory in discrete ambient air samples collected every few days at sites located in the contiguous United States between 2010 and 2022. We take advantage of the long-term observations from this network to study the regional distribution of H2 sources using the potential source contribution function (PSCF). We find that H2 PSCF is consistent with a large anthropogenic source of atmospheric H2 from the incomplete combustion of fossil fuel. However, episodic air masses with high H2 dry air mole fractions (>700 ppb) recorded at some sampling locations in the Western and Southeastern US are not associated with elevated CO, suggesting significant noncombustion anthropogenic or geological sources of H2. Air masses depleted in H2 are recorded in rural or remote continental sites. Our analysis of observations from a tall tower in NE Colorado suggests that the degree of H2 depletion not only reflects differences in soil exposure but also the regional inhibition of the soil sink under arid conditions.

Paulot, Fabien↗
DOE OSTI2020

Proteomic Characterization of Damaged Single Hairs Recovered after an Explosion for Protein-Based Human Identification

Evidence recovery is challenging where an explosion has occurred. Though hair evidence may be sufficiently robust to be recovered at the site, forensic analysis underutilizes the matrix by relying on morphological analysis. Where DNA is compromised, particularly in hair, protein-based human identification presents a promising alternative. Detection of amino acid polymorphisms in hair proteins as genetically variant peptides (GVPs) permits the inference of individualizing single nucleotide polymorphisms for identification. However, an explosive blast may damage hair proteins and compromise GVP identification. This work evaluates effects of an explosive blast on the hair proteome and GVP identification, investigates microscopy as a predictor of proteome profiling success in recovered hairs to improve analysis throughput, and quantifies discriminative power in damaged hairs. The proteomics dataset has been deposited into the ProteomeXchange Consortium (PXD017427). With the exception of degradation in keratins K75, K80, K40, and keratin-associated protein KAP10-11 as markers of hair cuticular damage, corroborated by scanning electron microscopic analysis, minimal hair proteome degradation following explosion allowed successful proteome profiling of single hairs regardless of morphological damage. Finally, GVP identification remained independent of explosion conditions, permitting similar discriminative power between exploded and undamaged hairs. These findings lend greater confidence to GVP analysis in one-inch hairs for forensic identification and provide information about hair protein localization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Functional Predictor Variables for the Leaching Potential of Arsenic and Selenium from Coal Fly Ash

The release of leachates from intact coal ash impoundments is a concern due to the enrichment and mobilization of toxic elements such as arsenic (As) and selenium (Se). This study aims to explore the intrinsic properties of coal fly ash that correlate with the relative leachability of As and Se. We performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic regions. We assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition, and pH. The results of regression models indicated that major elements (Fe, Ca, and Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Visualizing the Distribution of Water in Nominally Anhydrous Minerals at the Atomic Scale: Insights From Atom Probe Tomography on Fayalite

Olivine is an important reservoir for hydrogen in the Earth’s upper mantle, and the presence of OH in this nominally anhydrous mineral can play an important role in determining the physical properties of the host phase. Here we report on the 3-D distribution of the hydrated region at atomic scale in fayalite using atom probe tomography. Site-specific analysis reveals regions that are either compositionally homogenous or contain interlayers that are consistent with hydrated dislocations. Elemental distributions of the minor elements within the hydrated interlayers show enrichment of Na, indicating the formation of equilibrium environment is associated with Na geochemically, as well as depletion of Mn and Mg, the result of incompatibility of OH. This direct observation of hydrated region distribution in 3-D at the nanometer scale, can provide insight into the material properties of these nominally anhydrous minerals and possible rheology of upper mantle minerals and geodynamics.

58 GEOSCIENCES↗
DOE OSTI2021

Updated respiration routines alter spatio-temporal patterns of carbon cycling in a global land surface model

Abstract We updated the routines used to estimate leaf maintenance respiration (MR) in the Energy Land Model (ELM) using a comprehensive global respiration data base. The updated algorithm includes a temperature acclimating base rate, an updated instantaneous temperature response, and new plant functional type specific parameters. The updated MR algorithm resulted in a very large increase in global MR of 16.1 Pg (38%), but the signal was not geographically uniform. The increase was concentrated in the tropics and humid warm-temperate forests. The increase in MR led to large but proportionally smaller decreases in global net primary production (19%) and in average global leaf area index (15%). The effect on global gross primary production (GPP) was a more modest 5.7 Pg (4%). A detailed site level analysis also demonstrated a wide range of effects the updated algorithm can have on the seasonal cycle of GPP. Output from the updated and old models did not differ markedly in how closely they matched a suite of benchmarks. Given the substantial impact on the land surface carbon cycle, a neutral influence on model benchmarks, and better alignment with empirical evidence, an MR algorithm similar to the one presented here should be adopted into ELM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Continuous Water Quality Sensing for FGD Wastewater

The coal fired plant power industry requires new solutions for on-line monitoring of flue gas desulfurization (FGD) wastewaters for regulated trace metals to reduce recurring operating and off-site laboratory analysis costs and provide a high level of confidence of compliance with state and federal discharge guidelines. The University of Alabama at Birmingham (UAB) developed an integrated water sensor package for continuous water quality monitoring of flue gas desulfurization (FGD) wastewaters for concentration measurements of Selenium (Se). UAB utilized a diverse team of University Professors/Staff Members/Student(s) (Engineering and Innovative Technology Development Group), a University Affiliated Research Institution from the local area (Southern Research), and a cost sharing Industry Partner (Metrohm). The team developed and validated a proprietary wet chemistry batch process for water sample preparation; and implemented this process as a fully automated on-line monitor prototype system. This prototype system’s performance was evaluated in both the laboratory and during in-field deployment to a coal fired power plant. In both environments it was found that the prototype system was unable to recreate the batch process’s success at preparing FGD water samples for total Se measurements with a commercial-off-the-shelf (COTS) cyclic anodic stripping voltammetry (CSV) system. Through this experience, UAB has provided insight into a number of specific areas where improvements can be made with respect to the COTS systems used in this project to yield a more complete and competitive industry solution for on-line monitoring of total Se in industrial wastewater.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Multi-resolution, Multi-scale Modeling for Scalable Macroalgae Production

Macroalgae harvested along coastlines and in the open ocean has traditionally been used as food for human consumption, animal feed, and fertilizer. The U.S. ARPA-E MARINER Program estimates that the nation has suitable conditions and geography to produce at least 500 million dry metric tons of macroalgae per year, yielding approximately 2.7 quadrillion BTUs of energy in the form of liquid fuel, which is roughly 10% of the nation’s annual transportation energy demand. Adverse environmental effects of nutrient overload and ocean acidification may also be reduced by large-scale macroalgae cultivation in many coastal ocean regions. However, the successful deployment of large-scale marine macroalgae farms for fuel production depends on ambient hydrodynamic conditions and nutrient availability, as well as their interactions with macroalgae farm structures. Pacific Northwest National Laboratory led an ARPA-E MARINER project to develop a set of numerical modeling tools capable of simulating ocean hydrodynamic and biogeochemical processes, macroalgae trajectories for free-floating systems, macroalgae growth and biomass yields, and hydrodynamic load on macroalgae canopies and farm structures using a multi-resolution and multi-scale approach. This set of modeling tools provides a suite of information essential for system design, optimal project siting, risk analysis, and management of macroalgae production systems in the ocean. Better clarity can also help macroalgae system developers reduce deployment costs, operational risk, and potential impacts on the local marine environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Preliminary Radioisotope Screening for Off-site Consequence Assessment of Advanced Non-LWR Systems

Currently a set of 71 radionuclides are accounted for in off-site consequence analysis for LWRs. Radionuclides of dose consequence are expected to change for non-LWRs, with radionuclides of interest being type-specific. This document identifies an expanded set of radionuclides that may need to be accounted for in multiple non-LWR systems: high temperature gas reactors (HTGRs); fluoride-salt-cooled high-temperature reactors (FHRs); thermal-spectrum fluoride-based molten salt reactors (MSRs); fast-spectrum chloride-based MSRs; and, liquid metal fast reactors with metallic fuel (LMRs) Specific considerations are provided for each reactor type in Chapter 2 through Chapter 5, and a summary of all recommendations is provided in Chapter 6. All identified radionuclides are already incorporated within the MACCS software, yet the development of tritium-specific and carbon-specific chemistry models are recommended.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Effective Kitchen Ventilation for Healthy Zero Net Energy Homes with Natural Gas

Past studies indicate that kitchen ventilation that minimally complies with California’s Residential Building Code is inadequate at controlling combustion pollutants from natural gas burners and particulate matter produced during cooking. Effectiveness is further limited by misperceptions that kitchen ventilation is infrequently needed. This project developed the technical basis for updating kitchen ventilation requirements to protect health in new California homes, especially in smaller homes common among low-income renters. Tasks included (1) a field study of ventilation equipment performance and indoor air quality in 23 low-income apartments at four sites; (2) analysis of range hood use related to cooking time and household parameters using data from 54 houses and 17 low-income apartments; (3)a measurement-based study to quantify performance of over-the-range microwave ovens with integrated exhaust fans;and (4) pollutant exposure simulations to inform capture efficiency standards.The field study found operational deficiencies with mechanical ventilation systems in a substantial fraction of low-income apartments that affected performance, resulting in higher exposures to pollutants generated indoors. Using gas cooking burners produced high short-term and weekly time-averaged nitrogen dioxide in apartments.Range hoods were used more frequently with cooking in houses (36percent) than apartments (28percent); use increased with overall cooking frequency in a home and with duration of cooktop but not oven events; actual use was correlated to, but lower than,self-reported use;and use was more frequent in houses when cooking generated any fine particulate matter (PM2.5)or when high PM2.5resulted from cooking in apartments. Performance of over-the-range microwaves with integrated exhaust fans was similar to that of range hoods of comparable price. Simulation analysis found that performance standards need to be updated to ensure that kitchen exhaust ventilation adequately protects for substantial cooking in new California residences.

03 NATURAL GAS↗
DOE OSTI2022

CA Special Studies: Updates to the Groundwater Pathway Radiological Dose

This environmental calculation file (ECF) summarizes the groundwater pathway exposure assumptions and methodologies used to revise radionuclide specific unit dose factors (UDFs) published in CP-64491, Hanford Site Composite Analysis Data Package – Exposure Scenarios and Radionuclide Specific Dose Conversion Factors. Specifically, this ECF describes the updated exposure-related parameters used to calculate radionuclide specific UDFs based on recommendations from the Low-Level Waste Disposal Facility Federal Review Group (LFRG) and updates to Adult External DCFs included in EPA 402-R-93-081, External Exposure to Radionuclides in Air, Water, and Soil hereinafter called Federal Guidance Report [FGR]).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Future Response of Coastal Wetlands to Environmental Stresses: Algorithm Comparison of Numerical Models

Coastal wetlands are a critical component of the earth system that strongly influence the global water and biogeochemical cycles. They are also likely important sentinel of climate change. Because eco-geomorphological processes have long been recognized to be important for coastal wetland survival under accelerated sea-level rise (SLR), many eco-geomorphology models have been developed to assess the impact of climate change on coastal wetlands. Although these models differ substantially in complexity and numerical methods, few studies have investigated the algorithm-level uncertainties in these models. In this study, we developed a multiple-algorithm model framework of coastal wetlands that represents coastal hydrodynamics (such as water level, significant wave height and bottom shear stress) and four eco-geomorphological processes: mineral accretion, organic matter accretion, storm surge erosion and landward migration. We validated the model at three representative coastal wetland sites (Venice Lagoon, Plum Island Estuary and Hunter Estuary) for hydrodynamics, mineral accretion and organic matter accretion. Through model-data comparison, we showed that the model can well capture the dynamics of hydrodynamical and eco-geomorphological conditions in the study sites. Importantly, analysis of the multiple-algorithm simulations suggests that differences in the process representation of mineral and organic matter accretion may contribute to the recent contradicting predictions of coastal wetland evolution under accelerated SLR.

54 ENVIRONMENTAL SCIENCES↗