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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Application of a Null-Space Monte Carlo Flow Model Set to the Composite Analysis Base Case Fate and Transport Modeling

The Plateau to River Groundwater Model (P2R Model) is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by CH2M HILL Plateau Remediation Company at the Hanford Site in Washington State. Figure 1-1 illustrates the P2R Model extents, discretization, and boundary conditions. The P2R Model is utilized in the Composite Analysis (CA) for the Hanford Site as the computational engine for computing F&T predictions as described in CP-60406, Hanford Site Composite Analysis Technical Approach Description: Groundwater. The model simulates contaminants of concern within the saturated zone of the uppermost aquifer beneath the Central Plateau and downgradient to the Columbia River. CP-57037, Model Package Report for the Plateau to River Model Version 8.3, documents the current version of the P2R Model including a description of the conceptual site model, model development and calibration, and limitations to the model application. The overall objective of the saturated zone modeling effort is to provide a basis for making informed remedial action decisions based on descriptions of current and expected future contaminant concentrations in groundwater at decision points within and downgradient of the Central Plateau of the Hanford Site. Specifically, the purpose of this environmental calculation is to describe the application of the hydraulic property fields and recharge parameters documented in ECF-HANFORD-20-0027, Null Space Monte Carlo Evaluation of the Plateau to River Model, to the CA flow and fate and transport simulation results to quantify the uncertainty in the simulated results due to input parameter selection. Use of numerical groundwater models is always accompanied with uncertainty in the results produced by a model because models are approximations of reality. Thus, by definition, models lack the detail to fully represent observed behavior. Use of numerical techniques, such as a NSMC analysis, can help in identifying and quantifying the potential uncertainties associated with a numerical model such as the P2R Model. The result of NSCM analysis is a set of F&T simulations that provide an estimate of the range of possible outcomes that are used to quantify the uncertainty in simulated concentrations produced using the base case simulations. The simulated concentrations from all simulations will support calculation of the uncertainty of the total dose calculated in a separate calculation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Glass Property-Composition Models Update for use in Direct Feed High-Level Waste Flowsheet Development: EWG3.0

A set of preliminary glass property models and constraints were developed and augmented by models from literature for use in design of Direct Feed High-Level Waste glasses for flowsheet evaluation, testing, and design of the High-Level Waste Facility at the Hanford Waste Treatment and Immobilization Plant. These models and constraints are meant to be used as a placeholder while glass property-composition data gaps are filled and final plant operating models are developed. This report describes the motivation and intended use of the models, the compilation of data, model fitting and selection, and methods to apply the models and constraints in glass design, and offers example calculations demonstrating their intended use.

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

Finding of Adverse Effect and Proposed Mitigation for the Demolition of Building 23-530, Mercury, Area 23, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to demolish Building 23-530 in Mercury (Nevada State Historic Preservation Office [SHPO] Resource No. B15270), which is on the Nevada National Security Site (NNSS) in Nye County, Nevada. The purpose of the undertaking is related to the modernization of Mercury for future mission needs. The NNSA/NFO will implement this undertaking in accordance with the Programmatic Agreement Between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada, hereafter referred to as the Mercury PA. Building 23-530, a dormitory called Freedom Hall, was constructed in Mercury in 1982 and served as a support facility for nuclear testing for the last decade of the Cold War. The town of Mercury and the immediate surrounding area have been determined eligible for listing in the National Register of Historic Places (NRHP) as the Mercury Historic District (MHD, SHPO Resource No. D230) under Criteria A and C for their importance in supporting nuclear testing and scientific research from 1951 through 1992 (Reed 2019). Building 23-530 was identified as a contributing element to the MHD in a 2018 architectural survey of the district (Reno et al. 2018) and recorded on a Nevada Architectural Resource Assessment (ARA) form (Reno et al. 2017). Building 23-530 was also identified in Appendix C of the Mercury PA as a Category II contributing element. Category II properties are those that have several representatives in the MHD but may possess different engineering or architectural characteristics that distinguish them from other classes of similar elements. Building 23-530 is a historic property for the purposes of compliance with Section 106 of the National Historic Preservation Act (NHPA) and subject to the stipulations of the Mercury PA. The purpose of this letter report is to submit documentation related to the mitigation of the demolition of Building 23-530 (Nevada State Historic Preservation Office [SHPO] Resource No. B15270) in the Mercury Historic District (MHD, SHPO Resource No. D230) at the Nevada National Security Site (NNSS) in Nye County, Nevada. The dormitory is considered contributing to the significance of the district both for its historic importance in relation to nuclear testing under Criterion A and as a part of the distinctive design and construction of the district under Criterion C. This submission is intended to comply with the stipulations in the Programmatic Agreement between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada, hereafter referred to as the Mercury PA.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Crystalline versus Glassy Nature of Iron Phosphate Waste Forms Subjected to Different Slow Cooling Curves

This report provides experimental details and associated results on the elemental distributions (compositions), crystalline/amorphous phase distributions, and microstructures for iron phosphate reference materials (DPF5-336) made with different cooling curves and starting from different temperatures (i.e., 1050°C and 1200°C). The primary goal of this work was to evaluate the properties of the DPF5- 336 reference material after it was melted and cooled at different rates to simulate the cooling profile of different types of canisters. Crystal fractions across the SCC#2, SCC#3, and SCC#5 samples were all similar ranging in crystal content of 35.66–41.14 mass% with amorphous fractions being the balance (64.34–58.86 mass%, respectively). This shows that the heat treatment profile did not seems to greatly affect either the total crystal content or the phase distributions. The quenched sample was almost completely amorphous (99.55 mass%) with very small peaks identified as Li 3 Fe 2 (PO 4 ) 3 whereas the SCC-treated materials showed peaks for what appear to be ten separate phases present in various concentrations. Another goal of these experiments was to see how the phase distribution affected chemical durability of these waste forms, but that information is being collected at Argonne National Laboratory and will be published in a separate report

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DOE OSTI2024

RANGERS: Methodology Report on Design and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF

Salt formations are one of the potential host rocks for the final disposal of high-level radioactive waste (HLW) in deep geological repositories, both in Germany and the United States. The safe isolation of radioactive waste in these repositories relies on a multi-barrier system, combining engineered and natural barriers. The natural barrier is provided by the salt rock itself, known for its self-sealing properties and long-term stability. The engineered barrier, on the other hand, comprises sealing components strategically placed within the repository to enhance its containment capabilities. In both Germany and the United States, long-term safety assessments require demonstrating the integrity of the natural barrier for a period of up to 1 million years. Concurrently, the engineered barrier system (EBS) must maintain its structural and functional integrity until the long-term sealing, such as the granular salt backfill material, has re-consolidated to its final low porosity and permeability. Based on extensive expertise and experience with engineered barriers in salt formations, BGE TECHNOLOGY GmbH and Sandia National Laboratories have partnered to develop a robust methodology for the integrity and performance assessment of EBS in HLW repositories through the RANGERS project. This collaborative effort aims to establish a unified approach to geotechnical engineering, repository design, integrity and performance evaluation of EBS in salt repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Mitigation for the demolition of the foundation of building 25-3113/3113a, area 25, Nevada national security site, NYE county, Nevada

The purpose of this letter report is to document the mitigation of adverse effects of a proposed undertaking that would demolish the foundation of Building 25-3113/3113A and the adjoining test pad at Test Cell A in Area 25 of the Nevada National Security Site (NNSS) in compliance with the terms of the 2024 Programmatic Agreement among the U.S. Department of Energy and the Nevada State Historic Preservation Officer and the Advisory Council on Historic Preservation Concerning the Protection of Historic Properties on the Nevada National Security Site, Nye County, Nevada (NNSS PA). The foundation of Building 25-3113/3113A (State Historic Preservation Office [SHPO] Resource # B2443) is a contributing element to the Nuclear Rocket Development Station (NRDS) Historic District (SHPO Resource # D424), which has been determined eligible for listing in the National Register of Historic Places (NRHP) under Criteria A, B, C, and D (Reno et al. 2023). The proposed demolition constitutes an adverse effect. The U.S. Department of Energy (DOE) National Nuclear Security Administration Nevada Field Office (NNSA/NFO) consulted with the SHPO on an adverse effect finding for the undertaking and notified the SHPO of its intent to use the standard mitigation in the NNSS PA on December 11, 2024 (Julian to Reed). The SHPO concurred on December 30, 2024 (Reed to Julian). Therefore, NNSA/NFO has prepared mitigation pursuant to the standard mitigation in the NNSS PA Appendix D.I.A for contributing elements to recorded, NRHP-eligible districts.

#B2443↗
NASA NTRS2015

Bundle Data Approach at GES DISC Targeting Natural Hazards

Severe natural phenomena such as hurricane, volcano, blizzard, flood and drought have the potential to cause immeasurable property damages, great socioeconomic impact, and tragic loss of human life. From searching to assessing the Big, i.e., massive and heterogeneous scientific data (particularly, satellite and model products) in order to investigate those natural hazards, it has, however, become a daunting task for Earth scientists and applications researchers, especially during recent decades. The NASA Goddard Earth Sciences Data and Information Service Center (GES DISC) has served Big Earth science data, and the pertinent valuable information and services to the aforementioned users of diverse communities for years. In order to help and guide our users to online readily (i.e., with a minimum effort) acquire their requested data from our enormous resource at GES DISC for studying their targeted hazard event, we have thus initiated a Bundle Data approach in 2014, first targeting the hurricane event topic. We have recently worked on new topics such as volcano and blizzard. The bundle data of a specific hazard event is basically a sophisticated integrated data package consisting of a series of proper datasets containing a group of relevant (knowledge--based) data variables readily accessible to users via a system-prearranged table linking those data variables to the proper datasets (URLs). This online approach has been developed by utilizing a few existing data services such as Mirador as search engine; Giovanni for visualization; and OPeNDAP for data access, etc. The online Data Cookbook site at GES DISC is the current host for the bundle data. We are now also planning on developing an Automated Virtual Collection Framework that shall eventually accommodate the bundle data, as well as further improve our management in Big Data.

GES DISC↗
DOE OSTI2021

Spent Crystalline Silicotitanate Storage Study—Post AP-105DF Processing

A Tank-Side Cesium Removal (TSCR) system is under development by Washington River Protection Solutions to support initial production of immobilized low-activity waste (LAW) by feeding Hanford tank supernate from tank farms to the Hanford Waste Treatment and Immobilization Plant (WTP) LAW Facility. Tank waste supernate will be filtered to remove suspended solids and then Cs will be removed by processing it through crystalline silicotitanate (CST) ion exchange media manufactured by Honeywell UOP, LLC. The Cs-loaded CST columns will be stored indefinitely, with a goal of eventual CST removal and treatment. Thus, the spent CST needs to be recoverable after undetermined storage time. Previous testing with AP-105 simulant showed that rinsing the CST bed with 3 bed volumes (1.4 apparatus volumes [AVs]) of 0.1 M NaOH resulted in a dried bed that maintained flow characteristics indicative of ease of recovery. This study explored the intermediate conditions (between feed dried in place and the 1.4 AVs of 0.1 M NaOH rinse) to evaluate CST bed properties after: 1) stoppage with feed in place; 2) stoppage after draining feed; 3) stoppage after 0.7 AV of 0.1 M NaOH rinse through column; 4) stoppage after 1.5 AVs of 0.1 M NaOH rinse through column. Post processing, each column was heated at 50 °C for 19 days under pseudo-storage conditions to simulate the expected dried and stored CST bed conditions. Testing was conducted at the small scale (12-mL bed volume); actual, Cs-depleted, AP-105 tank waste was used as the feed. Post-dried CST bed physical properties (angle of repose and penetration depth) were measured to evaluate how CST moved and flowed. All process stop-conditions resulted in a solidified CST bed except for the final condition, 1.5 AVs of 0.1 M NaOH rinse. At this small scale, the three CST beds presented an issue for retrievability after the short storage period (19 days at 50 °C). The latter case confirmed the results from simulant testing. The testing was intended to provide a preliminary assessment of issues that may arise from desiccation of CST during storage with the indicated salt solutions in place. Since these were small-scale tests, the processing system did not scale to full scale conditions exactly; however, the tests did provide insight into the impact on the dried and stored CST bed after stopping processing at an earlier step (upset condition) than normal. These results indicate that if an upset condition occurs at TSCR, a dilute hydroxide rinse should be considered before the CST dries from internal heating.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Compositing and Characterization of SE Quadrant Waste Exemplars

This report outlines the experimental investigation and characterization of transport properties in Hanford SE quadrant High-Level Waste (HLW). The goal of the study was to establish baseline behaviors of bulk composite rheology and settling characteristics to facilitate waste treatment process design for the Waste Treatment and Immobilization Plant (WTP) and avoid waste conditions and properties favorable to bubble cascade gas release events. The study focused on two major objectives: 1) identifying, obtaining, and preparing relevant Hanford tank waste samples for evaluation and 2) quantifying the “as-received” rheology and transport properties of the samples. Twenty-three centrifuged core segments originating from tanks AN-101, AN-106, and AW-105 were selected based on compositional relevance to SE quadrant PUREX cladding waste. These materials were composited into five waste composites enriched with target analytes: aluminum (Al), iron (Fe), phosphate (PO 4 ), uranium (U), and zirconium (Zr). Physical property and transport testing examined particle size distributions, bulk densities, settling behaviors, rheological properties, shear strengths, and just-suspended mixing speeds (NJS). Testing revealed two distinct composite classifications based on rheological characteristics: non-Newtonian composites (Fe and PO 4 ) and Newtonian composites (Al, U, and Zr). The Fe and PO 4 composites exhibited slow settling rates and reduced mobilization proclivity, attributable to strong particle-particle interactions and the formation of yield structures within non-Newtonian slurries. In contrast, the Al, U, and Zr composites displayed rapid settling and dense compaction behaviors, indicative of minimal structuring and interactions. Shear strengths for all composites were generally low relative to prior studies of SE quadrant waste, with only the U composite showing elevated strength approaching values reported in previous literature. Repeat shear strength measurements revealed contributions from dense granular material in the U composite and stronger cohesive properties in the Al composite. Settling data highlighted hindered settling behavior, with rates falling more than one order of magnitude below estimates based on Stokes’ law and rate decreasing as composite UDS content increased. NJS testing demonstrated different mobilization behaviors between cohesive and granular composites. The Fe composite required the highest mixing rate for resuspension, while the Al composite was the easiest to resuspend. Comparison of measured NJS against predictions made using the Zwietering correlation suggests non-Newtonian behavior alters resuspension mechanics, rendering non-Newtonian systems more stable against resuspension lift forces relative to their granular counterparts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

A Review of Advanced Characterization Methods and Techniques for Amorphous and Poorly Crystalline Materials Applicable to Cementitious Waste Forms

This review covers advanced characterization methods of cementitious materials. The particular focus is to understand cementitious compositions with amorphous content because conventional techniques such as X-ray diffraction are more applicable to materials with long range order. Also of interest is advanced characterization that provides deeper insights into properties such as porosity. There are five groups of characterization methods discussed in this review which are: electron beam/microscopy, X-ray, neutron diffraction and scattering, nuclear magnetic resonance, and optical techniques. The techniques can be further grouped by the categories of nanoscale structural understanding (transmission electron microscopy and pair distribution function), microscale structural understanding (focused ion beam and x-ray tomography), microscopic elemental distributions (energy dispersive spectroscopy and X-ray fluorescence), and chemical binding information (electron energy loss spectroscopy, x-ray absorption spectroscopy, nuclear magnetic resonance, Raman spectroscopy, and infrared spectroscopy), with advantages and disadvantages of each method discussed. The recommendation for further research is to begin with techniques that are easier to prepare samples for, measure, and analyze, such as the optical techniques of Raman and infrared spectroscopy. If more information is needed, pursue collaborations, other techniques, or proposals for beam time at the synchrotron sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Insulation Activation and Contamination in Low-Power Experiments

Among the diverse advanced nuclear reactor concepts being developed are designs that expect to operate at much higher temperatures than conventional light-water reactors, and therefore require alternative materials for components capable of withstanding these extreme temperatures. Insulation is one such component where alternative high-temperature industrial composites are being considered. Low-power experiments can provide an opportunity for advancing our understanding of material behavior under irradiation; however, these experiments are not without occupational hazards. The focus of this paper is the potential for activation of insulating composites when exposed to neutron fluence during reactor experiments, and to discuss the subsequent contamination of the testing area. This paper will also discuss practical measures for preventing the creation and inhalation of activated particulate matter (i.e., dust), such as engineering and administrative controls and personal protective equipment. This paper evaluates the suitability of several insulation materials for use in reactor experiments based on their activation from neutron irradiation. The materials considered are Pyrogel XTE by Aspen Aerogel, Cerablanket and Kaowool by Morgan Advanced Materials, Thermo-12 Gold by Johns Manville, and Maxsil CF6-2000 by McAllister Mills. Although these materials are not yet widely used in the nuclear industry, they are common in other industries due to their thermal insulating properties. These materials produce dust while handling that can pose health and safety hazards, which could be further exacerbated by activation. The analysis presented in this paper utilizes a deterministic method developed to predict the activation source term of the provided insulation materials. The method calculates the atomic density of each element within the composites and simulates their exposure to a specified neutron flux density representative of low power experimental conditions. During the irradiation phase and throughout the extensive cooling period, neutron absorptions and nuclear decays are tracked for relevant isotopes. The residual activity within each composite is then assessed to identify the material with the lowest potential radiological hazard to workers. Dust will be created during installation and removal of insulating materials and may also be generated during the experiment. Contamination of surrounding surfaces due to dispersion is highly likely unless preventative measures are taken. The results of this analysis are used to estimate an internal dose from inhalation of activated dust, which is significantly lower than the allowable whole-body dose. However, the risk of internal exposure may increase if the dust becomes a transport vector for nuclear material. The goals of this paper are to enhance the understanding of the potential activation and contamination hazards from the use of these insulating materials in low-power nuclear experiments and to foster safer work environments through informed decision-making and strategic planning. This work ultimately contributes to a broader understanding of how new non-nuclear materials for advanced reactors impact the radiological safety of co-located workers, helping to ensure the responsible management of radioactive materials during installation and decommissioning activities.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗
DOE OSTI2024

An Overview of the Molten Salt Thermal Properties Database--Thermophysical, Version 3.1 (MSTDB-TP v.3.1)

This report presents the current status of the Molten Salt Thermal Properties Database–Thermophysical (MSTDB-TP). Information regarding version 3.1 is provided herein, which contains 820 individual salt entries (data from 180+ independent studies); the thermophysical properties contained in the database include density, viscosity, thermal conductivity, and heat capacity. The major updates to the database include a significant expansion of pseudobinary and higher-order chloride salt mixtures, many of which bearing actinides, and an incorporation of more recent literature data (i.e., that within the past 5 years). Also, modifications have been made to the pure compound data in the database as a consequence of an external quality assessment of duplicate datasets. The user-facing API for the MSTDB-TP, Saline, has been updated to include viscosity estimation capabilities based on the Redlich–Kister formalism; this is an advancement with respect to the existing density estimation capabilities. The graphical user interface was also updated to include a density estimation capability, backed by Saline. Finally, additional preliminary efforts to include surface tension into the database, as well as an investigation on formalisms that would be appropriate for thermal conductivity estimation, are reported herein.

36 MATERIALS SCIENCE↗
DOE OSTI2023

MatLib-1.2: Nuclear Material Properties Library

The U.S. Nuclear Regulatory Commission (NRC) uses the computer code Fuel Analysis under Steady-state and Transients (FAST) to model steady-state and transient fuel behavior to support regulatory decisions. FAST relies on a material properties library (MatLib) that contains the thermal and mechanical properties of the nuclear materials and coolants of interest to support the US commercial nuclear industry. MatLib contains properties for a variety of nuclear fuels, cladding and other structural materials, gases, and coolants. In this document, material property correlations for the materials contained within MatLib are presented and discussed. When available, comparisons are made between the material property correlations and available data. Additionally, uncertainties are quantified on the material proper- ties, which is then used by the NRC to support uncertainty quantification for best-estimate plus uncertainty safety evaluation reviews. This document describes MatLib-1.2, which was updated from MatLib-1.1 to include cleanup of the code for streamlined calls to MatLib from the main FAST source code, and to enable easier readability of the code by developers that maintain and enhance the FAST code. The results of MatLib did not change between MatLib-1.1 and MatLib-1.2; however, the source code changes warranted incrementing the minor numbering of the software version number. The changes may result in faster execution times of FAST-1.2 as compared to FAST-1.1. This document is one of a series of documents on FAST; the other documents detail the models used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Blending as an In-Tank Waste Processing Strategy: Year 1 Progress Report

The Hanford Site stores approximately 56 million gallons of radioactive legacy defense waste in underground tanks. Direct feed of southeast quadrant tank waste to a high-level waste treatment facility is currently being explored to accelerate tank treatment activities. This study seeks to de-risk waste transfers by favorably altering the resuspension and critical velocities of wastes through strategic waste blending. Wastes rich in aluminum- and zirconium-bearing solids pose significant risks due to their high settled strength and density. A series of tests explores how solid phase particle size and suspending phase chemistry alter waste transport properties, quantified through the just-suspended mixing speed (NJS), for pure and blended aluminum- and zirconium-bearing waste solid simulants. The study utilizes a range of gibbsites (three sizes spanning 10 to 90 µm) and zirconia solids (three sizes spanning 10 to 100 µm). As expected, the NJS of pure solids largely follows predictions based on literature correlations; blends of gibbsite and zirconium-bearing solids of differing particle sizes exhibit NJS maxima attributed to dense packing of the mixed-size settled solids. The findings of this study will assist in developing strategies to optimize the transport of waste solids for the safe and efficient delivery of tank waste.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Alpha-Imaging Detector System Development for Large Area Monitoring

Effective management and disposal of legacy nuclear waste are essential for ensuring safe work environments and minimizing environmental impacts. Monitoring airborne actinide contamination is particularly critical due to the high internal dose potential of alpha-emitting radionuclides. Traditional continuous air monitoring systems (CAMs) used in the industry are limited in the volume of air they can sample, potentially leading to inaccurate radiation detection over large areas. For example, in 2018, elevated levels of airborne Plutonium-239 were detected beyond the controlled areas of the Hanford Plutonium Finishing Plant, highlighting the potential risks to both plant workers and nearby residents. To address these challenges, high-efficiency particulate absorbing (HEPA) air purifiers can enhance air flow by up to 1.5 orders of magnitude, thereby increasing monitoring efficiency and providing a cost-effective solution for large-area surveillance. To quantify the activities of alpha-emitting radionuclides on HEPA filters, the Savannah River National Laboratory is developing an advanced alpha-imaging detection system. This system includes scintillating materials combined with a digital scientific camera. A significant concern in operating such a large-area airborne monitoring system is the handling of HEPA filters, which may be contaminated with radioactive particles. To mitigate these hazards, it is crucial to ensure that any contamination is securely fixed onto the filters. Efforts have been made to optimize the sensitivity of scintillator-epoxy composites and apply them to HEPA filters. These materials were characterized using fluoroscence spectroscopy. These techniques confirmed the purity of the raw materials, the dispersion of scintillators in the epoxy matrix, and the stability of their optical and structural properties post-modification. The optimal scintillator-epoxy composite was selected for use on alpha-spiked HEPA filters to evaluate the efficiency of the sprayer. HEPA filters, embedded with alpha particles collected by an air purifier deployed in an airborne radiation area, have been tested to assess detection efficiency. Future work will focus on employing multiple imaging sensors simultaneously to enhance sensitivity across different regions of the HEPA filter.

Pham, Phuong [Savannah River National Laboratory (↗
DOE OSTI2021

Advancing Enhanced Raman Spectroscopy to Detect and Measure NOW Pheromones (CPRB 2022 proposal)

Insect sex pheromones are chemical compounds that insects release to attract their partners over distances of hundreds of meters or even kilometers, in complete darkness and without any audible signals. Use of synthetic forms of key compounds have in some cases become an essential component of monitoring and/or managing key pests of agricultural crops, including navel orangeworm (Amyelois transitella) (NOW) in California tree nuts. These pheromone-based strategies can include monitoring, mating disruption, mass trapping, attract-and-kill and push-pull. There are currently multiple commercially available mating disruption products available for NOW and recent studies have demonstrated that they can be effectively used to reduce crop damage by this pest. Just how mating disruption works is not fully established and likely varies across products and target species. For instance, the extent to which synthetic pheromones compete with natural pheromone is not well understood, or in the case of monitoring, how efficaciously the insect follows the diffusing plumes, especially across large blocks and at plot borders. Furthermore, there may be specific conditions under which poor or impeded diffusion of synthetic pheromone diminishes the disruption effect, which could result in some males effectively locating females for reproduction. At the same time, many commercially available synthetic lures are also available, and growers have been effectively using them to track population development – although the attractive range of these lures remains unclear. That is, while pheromone lures can attract many moths, the relationship between trap capture and local populations, much less crop damage, remains unclear. Regardless of the emission source (aerosol puffers, meso emitters, lures etc.), we currently lack the ability to fully understand how these synthetic pheromone compounds diffuse away from their point-source of emission – and subsequently how this might affect the efficacy of mating disruption and/or the accuracy of monitoring efforts. Raman spectroscopy (RS) may offer a means to detect synthetic pheromone because of its analytical properties and recent technological advancements. In combination with nanostructured probes, RS has a demonstrated capability to detect volatiles at extremely low concentrations. While other methods for detecting pheromones have proven to be successful, such analytical methods like mass spectrometry (MS) gas chromatography (GC) require sampling in the fields and are not real-time. Other methods such as EAG/ EAD are also invasive (use antennas) but are of course valuable. Opto-electronic, micro and nano sensors just recently enticed interest. We fall in this latter category, proposing the use of optical spectroscopy (Raman) in a fiber aided by nanostructures to provide a chemical fingerprint without transductions and in real-time (i.e. no sampling). To date, we have been able to generate Raman signatures for the main chemicals in synthetic pheromones (a first for science, to the best of our knowledge), observe their trends at different concentrations, and also provide a clear distinction of such signatures in mixed samples via Principal Component Analysis (PCA) – all of which strengthens our conclusions on the ability of RS to detect emissions in more realistic conditions. We also established processes to enhance the detection sensitivity via preconcentration with Solid Phase Micro Extraction (SPME) fibers and Surface Enhanced Raman Spectroscopy (SERS) to increase the overall optical signals. Furthermore, we explored limitations and requirements for detecting from dispensers, lures, or live moths, including Dept. of Energy and CA State regulatory approvals. Finally, we setup some of our first “orchard in a box” experiments to measure pheromone diffusion along with developing appropriate models.

42 ENGINEERING↗
DOE OSTI2021

PSpecteR: A User-Friendly and Interactive Application for Visualizing Top-Down and Bottom-Up Proteomics Data in R

Visual examination of mass spectrometry data is necessary to assess data quality and to facilitate data exploration. Graphics provide the means to evaluate spectral properties, test alternative peptide/protein sequence matches, prepare annotated spectra for publication, and fine-tune parameters during wet lab procedures. Visual inspection of MS data is hindered by proprietary proteomics visualization software designed for particular workflows and academic software that lack visualization tools. We built PSpecteR, an open-source and interactive R Shiny web application to address these issues, with support for several steps of proteomics data processing, including: reading various mass spectrometry files, running open-source database search tools, labelling spectra with fragmentation patterns, testing post-translational modifications, plotting where identified fragments map to reference sequences, and visualizing algorithmic output and metadata. All figures, tables, and spectra are exportable within one easy-to-use graphical user interface. Our current software provides a flexible and modern R framework to support fast implementation of additional features. The open source code is readily available (https://github.com/EMSL-Computing/PSpecteR), and a PSpecteR Docker container (https://hub.docker.com/r/emslcomputing) is available for easy local installation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
NASA NTRS2001

Modeling and Prediction of Wildfire Hazard in Southern California, Integration of Models with Imaging Spectrometry

Large urban wildfires throughout southern California have caused billions of dollars of damage and significant loss of life over the last few decades. Rapid urban growth along the wildland interface, high fuel loads and a potential increase in the frequency of large fires due to climatic change suggest that the problem will worsen in the future. Improved fire spread prediction and reduced uncertainty in assessing fire hazard would be significant, both economically and socially. Current problems in the modeling of fire spread include the role of plant community differences, spatial heterogeneity in fuels and spatio-temporal changes in fuels. In this research, we evaluated the potential of Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and Airborne Synthetic Aperture Radar (AIRSAR) data for providing improved maps of wildfire fuel properties. Analysis concentrated in two areas of Southern California, the Santa Monica Mountains and Santa Barbara Front Range. Wildfire fuel information can be divided into four basic categories: fuel type, fuel load (live green and woody biomass), fuel moisture and fuel condition (live vs senesced fuels). To map fuel type, AVIRIS data were used to map vegetation species using Multiple Endmember Spectral Mixture Analysis (MESMA) and Binary Decision Trees. Green live biomass and canopy moisture were mapped using AVIRIS through analysis of the 980 nm liquid water absorption feature and compared to alternate measures of moisture and field measurements. Woody biomass was mapped using L and P band cross polarimetric data acquired in 1998 and 1999. Fuel condition was mapped using spectral mixture analysis to map green vegetation (green leaves), nonphotosynthetic vegetation (NPV; stems, wood and litter), shade and soil. Summaries describing the potential of hyperspectral and SAR data for fuel mapping are provided by Roberts et al. and Dennison et al. To utilize remotely sensed data to assess fire hazard, fuel-type maps were translated into standard fuel models accessible to the FARSITE fire spread simulator. The FARSITE model and BEHAVE are considered industry standards for fire behavior analysis. Anderson level fuels map, generated using a binary decision tree classifier are available for multiple dates in the Santa Monica Mountains and at least one date for Santa Barbara. Fuel maps that will fill in the areas between Santa Barbara and the Santa Monica Mountains study sites are in progress, as part of a NASA Regional Earth Science Application Center, the Southern California Wildfire Hazard Center. Species-level maps, were supplied to fire managing agencies (Los Angeles County Fire, California Department of Forestry). Research results were published extensively in the refereed and non-refereed literature. Educational outreach included funding of several graduate students, undergraduate intern training and an article featured in the California Alliance for Minorities Program (CAMP) Quarterly Journal.

Roberts, Dar A.↗