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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Simulating metagenomic stable isotope probing datasets with MetaSIPSim

DNA-stable isotope probing (DNA-SIP) links microorganisms to their in-situ function in diverse environmental samples. Combining DNA-SIP and metagenomics (metagenomic-SIP) allows us to link genomes from complex communities to their specific functions and improves the assembly and binning of these targeted genomes. However, empirical development of metagenomic-SIP methods is hindered by the complexity and cost of these studies. We developed a toolkit, ‘MetaSIPSim,’ to simulate sequencing read libraries for metagenomic-SIP experiments. MetaSIPSim is intended to generate datasets for method development and testing. To this end, we used MetaSIPSim generated data to demonstrate the advantages of metagenomic-SIP over a conventional shotgun metagenomic sequencing experiment. Through simulation we show that metagenomic-SIP improves the assembly and binning of isotopically labeled genomes relative to a conventional metagenomic approach. Improvements were dependent on experimental parameters and on sequencing depth. Community level G + C content impacted the assembly of labeled genomes and subsequent binning, where high community G + C generally reduced the benefits of metagenomic-SIP. Furthermore, when a high proportion of the community is isotopically labeled, the benefits of metagenomic-SIP decline. Finally, the choice of gradient fractions to sequence greatly influences method performance. Metagenomic-SIP is a valuable method for recovering isotopically labeled genomes from complex communities. We show that metagenomic-SIP performance depends on optimization of experimental parameters. MetaSIPSim allows for simulation of metagenomic-SIP datasets which facilitates the optimization and development of metagenomic-SIP experiments and analytical approaches for dealing with these data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

The Earth Microbiome project: successes and aspirations

Here, the Earth Microbiome Project (EMP) was launched in August 2010, with the ambitious aim of constructing a global catalogue of the uncultured microbial diversity of this planet. The primary vision of the Earth Microbiome Project, to process the microbial diversity and functional potential from approximately 200,000 environmental samples, marks it as an undertaking so massive that it was at first considered to be pure folly (as late as 2012, Jonathan Eisen was quoted in Nature as saying ‘Knight and Gilbert literally talk about sampling the entire planet. It is ludicrous and not feasible - yet they are doing it’ [1]).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Cultivation of novel Atribacterota from oil well provides new insight into their diversity, ecology, and evolution in anoxic, carbon-rich environments

Background: The Atribacterota are widely distributed in the subsurface biosphere. Recently, the first Atribacterota isolate was described and the number of Atribacterota genome sequences retrieved from environmental samples has increased significantly; however, their diversity, physiology, ecology, and evolution remain poorly understood. Results: We report the isolation of the second member of Atribacterota, Thermatribacter velox gen. nov., sp. nov., within a new family Thermatribacteraceae fam. nov., and the short-term laboratory cultivation of a member of the JS1 lineage, Phoenicimicrobium oleiphilum HX-OS.bin.34 TS , both from a terrestrial oil reservoir. Physiological and metatranscriptomics analyses showed that Thermatribacter velox B11 T and Phoenicimicrobium oleiphilum HX-OS.bin.34 TS ferment sugars and n-alkanes, respectively, producing H 2 , CO 2 , and acetate as common products. Comparative genomics showed that all members of the Atribacterota lack a complete Wood-Ljungdahl Pathway (WLP), but that the Reductive Glycine Pathway (RGP) is widespread, indicating that the RGP, rather than WLP, is a central hub in Atribacterota metabolism. Ancestral character state reconstructions and phylogenetic analyses showed that key genes encoding the RGP (fdhA, fhs, folD, glyA, gcvT, gcvPAB, pdhD) and other central functions were gained independently in the two classes, Atribacteria (OP9) and Phoenicimicrobiia (JS1), after which they were inherited vertically; these genes included fumarate-adding enzymes (faeA; Phoenicimicrobiia only), the CODH/ACS complex (acsABCDE), and diverse hydrogenases (NiFe group 3b, 4b and FeFe group A3, C). Finally, we present genome-resolved community metabolic models showing the central roles of Atribacteria (OP9) and Phoenicimicrobiia (JS1) in acetate- and hydrocarbon-rich environments. Conclusion: Our findings expand the knowledge of the diversity, physiology, ecology, and evolution of the phylum Atribacterota. This study is a starting point for promoting more incisive studies of their syntrophic biology and may guide the rational design of strategies to cultivate them in the laboratory.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Development and testing of a prototype modular tritium and carbon-14 gas environmental monitoring system

Increasing quantities of radioactive waste are being placed into storage facilities. Many of the waste products contain organic materials which may undergo degradation leading to the release of tritium and carbon-14 species into waste containers and potentially into the environment. Monitoring for radioactive gas releases are required for environmental regulatory compliance and for radiation protection of facility workers. Research is currently being undertaken at the National Physical Laboratory (NPL) as part of a European Metrology Research Programme (EMRP) project MetroRWM to adapt and automate existing environmental sampling techniques for tritium and carbon-14 species. An innovative modular system is being developed which will lead to the introduction of an on-site small scale system capable of gas collection, liquid scintillation sample preparation and measurement. This paper outlines the evaluation of a liquid scintillation system that has been performed to date using active solutions of spiked trapping medium of similar activity concentrations to those anticipated in a waste repository. This system will operate using pre-set conditions for quench and luminescence derived from these and subsequent trials, unlike most other counters for which corrections for these phenomena are applied post measurement. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Understanding grapevine-microbiome interactions: implications for viticulture industry

Until recently, the analysis of complex communities such as that of the grapevine-microbe holobiont has been limited by the fact that most microbes are not culturable under laboratory conditions (less than 1%). However, metagenomics, the study of the genetic material recovered directly from environmental samples without the need for enrichment or of culturing, has led to open an unprecedented era in the field of microbiology. Importantly, this technological advance has now become so pervasive that it is being regularly applied to explore soils and plants of agricultural interest. Interestingly, many large companies are taking notice, with significant financial investment being used to exploring ways to manipulate the productivity, disease resistance and stress tolerance for crops by influencing the microbiome. To understand which microbes one needs to manipulate to influence this valuable characteristics, we need to sequence the microbiome and capture the genetic and hence functional metabolic information contained therein. For viticulture and other agricultural fields where the crop is also associated to particular flavor properties that may also be manipulated, understanding how the bacteria, fungi and viruses influence the development and hence chemical makeup of the crop is essential.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

In Vitro Assessment of the In Vivo Stability of Cu-64 Radiopharmaceuticals

Research Plans: The successful development of Cu-64 radiopharmaceuticals depends upon retention of the Cu-64 atom in the radiopharmaceutical. To date, the focus has been on the development of chelators that better retain Cu-64, but there has been no effort to develop an effective method by which improved retention may be measured. In the absence of a suitable analytical method, the stability of Cu-64 radiopharmaceuticals is estimated indirectly, with decreased liver uptake suggesting higher in vivo complex stability. But this approach is inadequate for radiopharmaceuticals, such as radiolabeled antibodies, that are expected to accumulate in the liver even when there is no free Cu-64 present. The absence of such a method has also hampered efforts to systematically evaluate the chemical factors that may give rise to improved retention. The objective of this project is to develop and validate such a method. Accomplishments: The two primary accomplishments of this project will be 1) the development and validation of a method to measure the stability of Cu-64 radiopharmaceuticals and 2) the determination of the chemical factors that define the in vivo stability of Cu 64 radiopharmaceuticals. Because Cu(II) is extremely labile, the in vivo stability of Cu-64 radiopharmaceuticals is not primarily determined by the amount of free Cu that is present at any given time or by the thermodynamic stability constants, but rather by the rate at which Cu is lost from the complex, the dissociation rate constant, kd. The dissociation rate constants of the Cu-64 complexes from a series of bifunctional chelators (BFCs) will be measured using Free Ion Selective Radiotracer Extraction (FISRE), a technique originally developed to measure bioavailable Cu in environmental samples. FISRE will also be applied to the determination of the kd's of a series of reference Cu-64 complexes to determine the chemical factors that define the in vivo stability of Cu-64 radiopharmaceuticals. Potential Benefits: The FISRE method that will be used in this project, once validated, will provide researchers with a core technology by which the stability of Cu 64 radiopharmaceuticals can be accurately measured. In the short-term, we expect to produce extensive data regarding the stability of Cu-64 complexes of ligands of radiopharmaceutical interest, primarily those that are most commonly used as BFCs (e.g., DOTA, TETA). These data will provide a quantitative basis for deciding which ligands may be best suited for use as BFCs, data that is not currently available. In the intermediate term, we expect that these results will facilitate the development of new Cu-64 radiopharmaceuticals by providing a quantitative approach to assessing the stability of Cu-64 chelates. This innovative methodology will enable investigators to quantitatively compare the ability of different BFCs to retain Cu-64 in vivo. The benefits of this approach will be best seen in the development of Cu-64-labeled monoclonal antibodies where the accumulation of antibodies in the liver obviates liver uptake as an effective surrogate measure of Cu-64 lability. In the longer-term, we anticipate an improvement in the way in which various diseases (especially cancer) are detected, diagnosed, staged, and treated. This method will also enable researchers to distinguish differences in biodistribution that may arise from differences in charge, lipophilicity, etc. from those that may arise from loss of Cu-64 from the chelator. Last, this novel quantitative tool will allow investigators to evaluate the chemical factors that determine the in vivo stability of Cu-64 radiopharmaceuticals laying the groundwork for the future development of more effective Cu-64 radiopharmaceuticals. Once the feasibility of this method is established, it can also be used to evaluate the stability of other metalloradiopharmaceuticals including those based on Ga-68, a radionuclide that is showing great promise in tumor imaging.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2012

Investigation of CTBT OSI Radionuclide Techniques at the DILUTED WATERS Nuclear Test Site

Under the Comprehensive Nuclear-Test-Ban Treaty (CTBT), a verification regime that includes the ability to conduct an On-Site Inspection (OSI) will be established. The Treaty allows for an OSI to include many techniques, including the radionuclide techniques of gamma radiation surveying and spectrometry and environmental sampling and analysis. Such radioactivity detection techniques can provide the “smoking gun” evidence that a nuclear test has occurred through the detection and quantification of indicative recent fission products. An OSI faces restrictions in time and manpower, as dictated by the Treaty; not to mention possible logistics difficulties due to the location and climate of the suspected explosion site. It is thus necessary to have a good understanding of the possible source term an OSI will encounter and the proper techniques that will be necessary for an effective OSI regime. One of the challenges during an OSI is to locate radioactive debris that has escaped an underground nuclear explosion (UNE) and settled on the surface near and downwind of ground zero. To support the understanding and selection of sampling and survey techniques for use in an OSI, we are currently designing an experiment, the Particulate Release Experiment (PRex), to simulate a small-scale vent from an underground nuclear explosion. PRex will occur at the Nevada National Security Site (NNSS). The project is conducted under the National Center for Nuclear Security (NCNS) funded by the National Nuclear Security Agency (NNSA). Prior to the release experiment, scheduled for Spring of 2013, the project scheduled a number of activities at the NNSS to prepare for the release experiment as well as to utilize the nuclear testing past of the NNSS for the development of OSI techniques for CTBT. One such activity—the focus of this report—was a survey and sampling campaign at the site of an old UNE that vented: DILUTED WATERS. Activities at DILUTED WATERS included vehicle-based survey, in situ measurements with high-purity germanium (HPGe) and hand-held LaBr 3 systems, soil sampling with a variety of tools, and laboratory gamma spectrometric analysis of those samples. A further benefit of the measurement campaign was to gain familiarity with the many logistical aspects of performing radiological field work at NNSS ahead of the PRex. Many practical lessons concerning the proper methodologies and logistics of using the surveying and sampling equipment were noted. These Lessons Learned are compiled together in Appendix A. The vehicle-based survey was successful in that it found a previously unknown hotspot (determined to be 232 Th) while it demonstrated that a better method for keeping a serpentine track without staking was needed. Some of the soil sampling equipment was found to be impractical for the application, though core sampling would not be the correct way to take soil samples for a fresh vent deposit (as opposed to an old site like DILUTED WATERS). Due to the site’s age, 137 Cs was the only fission radioisotope identified, though others were searched for. While not enough samples were taken and analyzed to definitively link the 137 Cs to DILUTED WATERS as opposed to other NNSS activities, results were consistent with the historical DILUTED WATERS plume. MDAs were compared for soil sampling and in situ measurements.

CTBT↗
DOE OSTI2011

Preliminary report for analysis of genome wide mutations from four ciprofloxacin resistant B. anthracis Sterne isolates generated by Illumina, 454 sequencing and microarrays for DHS

The objective of this project is to provide DHS a comprehensive evaluation of the current genomic technologies including genotyping, Taqman PCR, multiple locus variable tandem repeat analysis (MLVA), microarray and high-throughput DNA sequencing in the analysis of biothreat agents from complex environmental samples. As the result of a different DHS project, we have selected for and isolated a large number of ciprofloxacin resistant B. anthracis Sterne isolates. These isolates vary in the concentrations of ciprofloxacin that they can tolerate, suggesting multiple mutations in the samples. In collaboration with University of Houston, Eureka Genomics and Oak Ridge National Laboratory, we analyzed the ciprofloxacin resistant B. anthracis Sterne isolates by microarray hybridization, Illumina and Roche 454 sequencing to understand the error rates and sensitivity of the different methods. The report provides an assessment of the results and a complete set of all protocols used and all data generated along with information to interpret the protocols and data sets.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

UO 2 Particle Standards: Synthesis, Purification & Planchet Preparation

The IAEA has previously indicated its desire for reliable provision of suitable reference materials in support of environmental sample analysis and sustained advancement at the Department of Safeguards, as laid out in the Long Term R&D plan (LTRD 10.1 & 10.2). In a recent meeting between NPAC, the IAEA and PNNL, this pressing need was directly outlined by the IAEA as having two main objectives. The first pertains to current operations, such as instrument calibrations and evaluation of bias across the Network of Analytical Laboratories and requires particles on the order of 300-500 nm in diameter. The second need for particle reference material would directly support the IAEA’s ongoing R&D efforts and calls for smaller particles ranging from 50 -100 nm in size. As such, the IAEA has expressed a great deal of interest in the newly established synthesis capabilities at PNNL, initially cultivated through a PNNL LDRD project to address the particle-standards shortcomings for uranium oxide material. The joint meeting concluded with a request by the IAEA for 1-2 planchet samples containing PNNL’s UO 2 particulate material, to be delivered in the near-term. This report outlines the steps taken to meet that request and includes some basic characteristics of the samples sent to the IAEA.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

A Next Generation Digital Counting System For Low-Level Tritium Studies (Project Report)

Since the early seventies, SRNL has pioneered low-level tritium analysis using various nuclear counting technologies and techniques. Since 1999, SRNL has successfully performed routine low-level tritium analyses with counting systems based on digital signal processor (DSP) modules developed in the late 1990s. Each of these counting systems are complex, unique to SRNL, and fully dedicated to performing routine tritium analyses of low-level environmental samples. It is time to modernize these systems due to a variety of issues including (1) age, (2) lack of direct replacement electronics modules and (3) advances in digital signal processing and computer technology. There has been considerable development in many areas associated with the enterprise of performing low-level tritium analyses. The objective of this LDRD project was to design, build, and demonstrate a Next Generation Tritium Counting System (NGTCS), while not disrupting the routine low-level tritium analyses underway in the facility on the legacy counting systems. The work involved (1) developing a test bed for building and testing new counting system hardware that does not interfere with our routine analyses, (2) testing a new counting system based on a modern state of the art DSP module, and (3) evolving the low-level tritium counter design to reflect the state of the science.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Strengthening IAEA Safeguards for Research Reactors

During their December 10-11, 2013, workshop in Grenoble France, which focused on the history and future of safeguarding research reactors, the United States, France and the United Kingdom (UK) agreed to conduct a joint study exploring ways to strengthen the IAEA’s safeguards approach for declared research reactors. This decision was prompted by concerns about: 1) historical cases of non-compliance involving misuse (including the use of non-nuclear materials for production of neutron generators for weapons) and diversion that were discovered, in many cases, long after the violations took place and as part of broader pattern of undeclared activities in half a dozen countries; 2) the fact that, under the Safeguards Criteria, the IAEA inspects some reactors (e.g., those with power levels under 25 MWt) less than once per year; 3) the long-standing precedent of States using heavy water research reactors (HWRR) to produce plutonium for weapons programs; 4) the use of HEU fuel in some research reactors; and 5) various technical characteristics common to some types of research reactors that could provide an opportunity for potential proliferators to misuse the facility or divert material with low probability of detection by the IAEA. In some research reactors it is difficult to detect diversion or undeclared irradiation. In addition, infrastructure associated with research reactors could pose a safeguards challenge. To strengthen the effectiveness of safeguards at the State level, this paper advocates that the IAEA consider ways to focus additional attention and broaden its safeguards toolbox for research reactors. This increase in focus on the research reactors could begin with the recognition that the research reactor (of any size) could be a common path element on a large number of technically plausible pathways that must be considered when performing acquisition pathway analysis (APA) for developing a State Level Approach (SLA) and Annual Implementation Plan (AIP). To broaden the IAEA safeguards toolbox, the study recommends that the Agency consider closing potential gaps in safeguards coverage by, among other things: 1) adapting its safeguards measures based on a case-by-case assessment; 2) using more frequent and expanded/enhanced mailbox declarations (ideally with remote transmission of the data to IAEA Headquarters in Vienna) coupled with short-notice or unannounced inspections; 3) putting more emphasis on the collection and analysis of environmental samples at hot cells and waste storage tanks; 4) taking Safeguards by Design into account for the construction of new research reactors and best practices for existing research reactors; 5) utilizing fully all legal authorities to enhance inspection access (including a strengthened and continuing DIV process); and 6) utilizing new approaches to improve auditing activities, verify reactor operating data history, and track/monitor the movement and storage of spent fuel.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2016

From genomes to metabolomes: Understanding mechanisms of symbiosis and cell-cell signaling using the archaeal system Ignicoccus-Nanoarchaeum

The main objective of this project was to use symbiotic Nanoarchaeaota, a group of thermophilic Archaea that are obligate symbionts/parasites on other Archaea, to develop an integrated multi-omic approach to study inter-species interactions as well as to understand fundamental mechanism that enable such relationships. As part of this grant we have achieved a number of important milestone on both technical and scientific levels. On the technical side, we developed immunofluorescence labeling and tracking methods to follow Nanoarchaeota in cultures and in environmental samples, we applied such methods in conjunction with flow cytometry to quantify and isolate uncultured representatives from the environment and characterized them by single cell genomics. On the proteomics side, we developed a more efficient and sensitive method to recover and semi-quantitatively measure membrane proteins, while achieving high total cellular proteome coverage (70-80% of the predicted proteome). Metabolomic analyses used complementary NMR and LC/GC mass spectrometry and led to the identification of novel lipids in these organisms as well as quantification of some of the major metabolites. Importantly, using several informatics approaches we were also able to integrate the transcriptomic, proteomic and metabolomic datasets, revealing aspects of the interspecies interaction that were not evident in the single omic analyses (manuscript in review). On the science side we determined that N. equitans and I. hospitalis are metabolically coupled and that N. equitans is strictly dependent on its host both for metabolic precursors and energetic needs. The actual mechanism by which small molecules move across the cell membrane remains unknown. The Ignicoccus host responds to the metabolic and energetic burned by upregulating of key primary metabolism steps and ATP synthesis. The two species have co-evolved, aspect that we determined by comparative genomics with other species of Ignicoccus (manuscript in preparation) and by characterizing other similar Nanoarchaeota systems. Using a single cell genomics approach we characterized the first terrestrial geothermal Nanoarchaeota system, from Yellowstone National Park. That nanoarchaeon uses a different host, a species of Sulfolobales, and comparative genomics with N. equitans-Ignicoccus allowed us to come up with an evolutionary model for the evolution of this group of organisms across marine and terrestrial ecosystems. Based on metabolic inferences we were also able to isolate in culture the first such terrestrial nanoarchaeal system, also from Yellowstone, which involves a species of Acidilobus. The novel nanoarchaeal system was characterized using proteomics and it helped us better understand the metabolic capabilities of these organisms as well as how co-evolution shapes the genomes of interacting species. It was also one of the very few cases in which prior genomic data was used to successfully design an approach to culture an organism, which remains the gold standard in microbiology research. As a better understanding of interspecies interaction requires multiple model systems, we have pursued identification and genomic characterization or isolation of additional nanoarchaeal systems from geographically and geochemically distinct environments. Two additional nanoarchaeal systems are presently being characterized from hot springs in Yellowstone and Iceland and will be the subject to future publications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Characterization of the Environmentally Induced Chemical Transformations of Uranium Tetrafluoride

A key challenge with nuclear safeguards environmental sampling is identification of the materials post release due to subsequent chemical reactions with ambient water and oxygen. Uranium Tetrafluoride (UF4) is of interest as an intermediate in both the upstream and downstream portions of uranium feedstock and metal production processes used in nuclear fuel production; however minimal published research exists relating to UF4 hydrolysis. FY16 efforts were dedicated to in-situ Raman spectroscopy and X-ray diffraction characterization of UF4 during exposure to various relative humidity conditions. This effort mapped several hydrolysis reaction pathways and identified both intermediate, and terminal progeny species.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2018

Qualification of Radiocarbon Using Spectroscopic Means Final Report CRADA No. TC02170.0

The purpose of this Cooperative Research and Development Agreement (CRADA) between Picarro Inc. and Lawrence Livermore National Security, LLC, as operator of the Lawrence Livermore National Laboratory (referred to individually as "LLNL") is to develop a new capability for measuring 14 C in biological and environmental samples at levels near the isotopic natural abundance of this isotope.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Development of direct injection/ionization mass spectrometry methods for whole molecule characterization

Determining uranium isotopic and concentration information from environmental samples typically involves extensive chemical and physical processing prior to analysis. Harsh sample preparation results in the loss of the original uranium chemical speciation (i.e. what the uranium was bonded to/with when found in the environment) as well as the mixing of anthropogenic uranium with background material contained within the collection media (e.g. a swipe or soil). The objective of this work is to adapt a bioanalytical mass spectrometry technology called paper spray ionization mass spectrometry for the rapid analysis of intact uranium complexes. Soft ionization facilitates detection of whole molecule uranyl complexes including uranyl acetate, uranyl nitrate, and uranyl-tributylphosphate complex. Cotton swipe samples doped with a multi-element standard containing μg levels of U, Bi, Pb, Cd, Fe, and Zn were directly analyzed without purification, representing a major improvement over existing methods. Uranium quantitation is demonstrated using internal standards to obtain linear calibration curves. Limits of detection were determined to be approximately 100 ng for UO 2 and uranyl acetate through measurement of ppb level solutions. The development and qualification of PSI-MS techniques could lead to significant safeguards-related cost reduction and timeliness by facilitating the triage and queueing of swipe samples for more sensitive and time-consuming analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Exploring the suitability of MXenes for sensing applications

The development of sensitive, yet easy-to-use methods for the detection of actinides (uranium, plutonium, etc.) is of continual interest for ensuring nuclear safety, enhancing nuclear nonproliferation efforts, and tracking nuclear species in the environment. In this project, researchers from SRNL and Fayetteville State University explored using films based on titanium carbide nanoparticles ("MXenes") as sensing materials to support trace-level measurements. We showed that MXenes could be used to measure low levels of a test molecule (Rhodamine B). The signal was linearly dependent on concentration, indicating that the method could be used for quantitative measurements and not just detection. We identified several ways to make the films better able to support routine measurements. Once these improvements are implemented, we will demonstrate their use for measuring uranium under conditions typical for environmental samples and waste streams in nuclear materials processing facilities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MSTAR2019 Code Description and User's Manual

This report describes an ideal cascade model of uranium enrichment that includes side feed and side product streams and flexible input options. It is based on the original MSTAR model developed by Ed Von Halle and implemented in a Visual Basic code. The current version allows the user to specify integer numbers of stages or the stage numbers of external flows instead of assays in those flows. The computational engine is written in FORTRAN-90 and is invoked by a user-friendly GUI written in C++. This version of MSTAR has been demonstrated to operate on Linux, Mac, and Windows platforms, and has undergone significant testing and quality analysis. A number of examples are presented to illustrate the operation of the code and guide the user. The code is extremely fast, and results are returned immediately. The input and output have been specially configured for analysis by the environmental sampling team of the International Atomic Energy Agency (IAEA). A number of additional output features are included to assist the user in visualizing computational results and downloading data to files for use in other analysis software.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Formation of Aerosol Nanoparticles by Gas-Phase Hydrolysis Reaction of Uranium Hexafluoride

The aerosol physics of uranyl particle formation has been addressed in this research using advanced aerosol instrumentation and an aerosol dynamics model. Based on the research works, we conclude that the formation and growth of aerosol particles by gas-phase UF6 hydrolysis strongly depends on the availability of water molecules in our reactor conditions. The total number concentration of the UO 2 F 2 particulate material that could be produced in the hydrolysis reaction is also regulated primarily by the availability of water molecule concentration. The higher the water molecule concentration, the higher the number and the larger the size of UO 2 F 2 aerosol particles that could be produced in a reactor custom-built at ORNL. Although the aerosol reactor was enabling the study of particle formation kinetics, the instrumentation was still insufficient in characterizing the chemical composition of the produced particles as well as the time-dependent evolution of the particulate species. The temporal evolution could impact the eventual fate of the particles upon release to the environment (i.e., the physio-chemical transformation, transport, and removal). On uranyl particle formation kinetics, we found that the growth rates of aerosol particles appeared to approach a single number in the range of 0.05 ± 0.03 - 0.08 ± 0.04 nm/s, statistically, as the ω value becomes smaller than 1. The size of primary particles from the UF6 hydrolysis at water-deprived condition was estimated to be 3.6 ± 0.4 nm; the higher the availability of water molecules, the larger the primary particles. The ability to precisely control the availability of water molecules in the reaction could lead to the production of nearly monodispersed aerosol particles. In other words, the result suggests that one can precisely manipulate the size of UO 2 F 2 aerosol particles by controlling the water vapor availability and interaction of water molecules with U F6 in the reaction. This finding has significant implications in the engineering manufacturing of fuel powder materials and possibly to future development and deployment of an environmental sampling apparatus.

74 ATOMIC AND MOLECULAR PHYSICS↗