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At least 865 records · Page 48

Guest investigator program study: Physics of equatorial plasma bubbles

Plasma bubbles are large-scale (10 to 100 km) depletions in plasma density found in the night-time equatorial ionosphere. Their formation has been found to entail the upward transport of plasma over hundreds of kilometers in altitude, suggesting that bubbles play significant roles in the physics of many of the diverse and unique features found in the low-latitude ionosphere. In the simplest scenario, plasma bubbles appear first as perturbations in the bottomside F layer, which is linearly unstable to the gravitationally driven Rayleigh-Taylor instability. Once initiated, bubbles develop upward through the peak of the F layer into its topside (sometimes to altitudes in excess of 1000 km), a behavior predicted by the nonlinear form of the same instability. While good general agreement has been found between theory and observations, little is known about the detailed physics associated with plasma bubbles. Our research activity centered around two topics: the shape of plasma bubbles and associated electric fields, and the day-to-day variability in the occurrence of plasma bubbles. The first topic was pursued because of a divergence in view regarding the nonlinear physics associated with plasma bubble development. While the development of perturbations in isodensity contours in the bottomside F layer into plasma bubbles is well accepted, some believed bubbles to be cylinder-like closed regions of depleted plasma density that floated upward leaving a turbulent wake behind them (e.g., Woodman and LaHoz, 1976; Ott, 1978; Kelley and Ott, 1978). Our results, summarized in a paper submitted to the Journal of Geophysical Research, consisted of incoherent scatter radar measurements that showed unambiguously that the depleted region is wedgelike and not cylinderlike, and a case study and modeling of SM-D electric field instrument (EFI) measurements that showed that the absence of electric-field perturbations outside the plasma-depleted region is a distinct signature of wedge-shaped plasma bubbles. The second topic was pursued because the inability to predict the day-to-day occurrence of plasma bubbles indicated inadequate knowledge of the physics of plasma bubbles. An understanding of bubble formation requires an understanding of the roles of the various terms in the linearized growth rate of the collisional Rayleigh-Taylor instability. In our study, we examined electric-field perturbations found in SM-D EFI data and found that the seeding is more likely to be produced in the E region rather than the F region. The results of this investigation are presented in the Appendix of this report and will be submitted for publication in the Journal of Geophysical Research.

Tsunoda, Roland T.↗

High Pressure Gas Permeation and Liquid Diffusion Studies of Coflon and Tefzel Thermoplastics

The life of fluid-carrying flexible or umbilical pipes during service at elevated temperatures and pressures depends inter alia on their resistance to attack by the fluids present and the rate at which these fluids are absorbed by the pipe lining materials. The consequences of fluid ingress into the thermoplastic lining could mean a) a reduction in its mechanical strength, to increase chances of crack formation and growth and thus a loss of integrity, b) the occurrence of permeation right through the lining material, with pressure build- up in the outer pipe wall construction (of flexible pipes) or chemical attack (from a hostile permeant) on outer layers of reinforcements. Therefore it is important within this project to have relevant permeation data for Coflon and Tefzel thermoplastics: the former is plasticised, the latter is not. A previous report (CAPP/M.2) described experimental equipment and techniques used by MERL when measuring high pressure (up to 5000 psi) gas permeation and liquid diffusion through thermoplastic samples cut from extruded bar or pipe, and provided the basic theory involved. Norsk Hydro are also performing gas permeation tests on pipe sections, at up to 100 bars (1450 psi) pressure or so, and reporting separately. Some comparisons between data from Norsk Hydro and MERL have been made herein. The tests should be considered as complementary, as the Norsk Hydro test has the obvious benefit of using complete pipe sections, whilst MERL can test at much higher pressures, up to 1000 bar if necessary. The sophisticated analytical measuring equipment of Norsk Hydro can distinguish the individual components of mixed gases and hence the various permeation-linked coefficients whereas MERL, in using pressure increase at constant volume to determine permeation rate, is limited to obtaining single gas data, or apparent (or representative) coefficients for a mixed gas as a whole. Except for the initial fluid diffusion data for Tefzel described in CAPP/M.2, the present report covers all aspects of fluid permeation and diffusion for Coflon and Tefzel, including all the pen-neation data accumulated in the project to date. Test gases have mainly been methane (CH4) and carbon dioxide (CO2). More high pressure (HP) gas permeation tests have been performed since the last issue of this report, most being concerned with changes in permeation characteristics brought about by ageing in various relevant fluids. This revision supersedes previous issues.

Morgan, G. J.↗

XML: James Webb Space Telescope Database Issues, Lessons, and Status

This paper will present the current concept using extensible Markup Language (XML) as the underlying structure for the James Webb Space Telescope (JWST) database. The purpose of using XML is to provide a JWST database, independent of any portion of the ground system, yet still compatible with the various systems using a variety of different structures. The testing of the JWST Flight Software (FSW) started in 2002, yet the launch is scheduled for 2011 with a planned 5-year mission and a 5-year follow on option. The initial database and ground system elements, including the commands, telemetry, and ground system tools will be used for 19 years, plus post mission activities. During the Integration and Test (I&T) phases of the JWST development, 24 distinct laboratories, each geographically dispersed, will have local database tools with an XML database. Each of these laboratories database tools will be used for the exporting and importing of data both locally and to a central database system, inputting data to the database certification process, and providing various reports. A centralized certified database repository will be maintained by the Space Telescope Science Institute (STScI), in Baltimore, Maryland, USA. One of the challenges for the database is to be flexible enough to allow for the upgrade, addition or changing of individual items without effecting the entire ground system. Also, using XML should allow for the altering of the import and export formats needed by the various elements, tracking the verification/validation of each database item, allow many organizations to provide database inputs, and the merging of the many existing database processes into one central database structure throughout the JWST program. Many National Aeronautics and Space Administration (NASA) projects have attempted to take advantage of open source and commercial technology. Often this causes a greater reliance on the use of Commercial-Off-The-Shelf (COTS), which is often limiting. In our review of the database requirements and the COTS software available, only very expensive COTS software will meet 90% of requirements. Even with the high projected initial cost of COTS, the development and support for custom code over the 19-year mission period was forecasted to be higher than the total licensing costs. A group did look at reusing existing database tools and formats. If the JWST database was already in a mature state, the reuse made sense, but with the database still needing to handing the addition of different types of command and telemetry structures, defining new spacecraft systems, accept input and export to systems which has not been defined yet, XML provided the flexibility desired. It remains to be determined whether the XML database will reduce the over all cost for the JWST mission.

Detter, Ryan↗

Microstructural dependence of defect formation in iron-oxide thin films

In this report passivating iron-oxide films are grown atop iron films simulating the corrosion process in a nuclear reactor environment. Two oxide films grown via physical vapor deposition at 600 °C and room temperature exhibited dense-epitactic and columnar-polycrystalline, microstructures respectively. A third oxide film grown in open air at 600 °C exhibited an eqiuaxed, porous morphology. Cubic maghemite and magnetite phases in each oxide film were identified via grazing incidence X-ray diffraction. Positron annihilation spectroscopy was used to characterize point defects and measure their depth and size distributions in each oxide layer and showed a range of average positron lifetimes from 0.23 ns in the high temperature, vapor deposited film, 0.35 ns in the room temperature-grown film, and 0.31 ns in the thermally grown oxide. These data indicate that the film morphology, which varies greatly in these films, leads to very different defect content. Finally, four-dimensional scanning transmission electron microscopy was used to measure the internal stress of each film and was correlated to the strain state presented in the X-ray diffraction spectra. The defect formation in each film is reasoned through using a thin film growth model.

36 MATERIALS SCIENCE↗

SPRUCE Air 13C and 14C Isotopes, Marcell Experimental Forest, Minnesota, 2016-2025

This data set reports 13C (carbon) and 14C signatures of air from Spruce and Peatland Responses Under Changing Environments (SPRUCE) experimental study plots located in the S1-Bog at the Marcell Experimental Forest in northern Minnesota from 2016-2025 (2016-04-13 to 2025-09-24). Air measurements were collected approximately five times throughout each active growing season beginning in 2016 and included the 10 SPRUCE experimental plots (Plots 4, 6, 8, 10, 11, 13, 16, 17, 19, and 20) two ambient co-located ambient plots (Plots 7 and 21) and a site at the Marcell Experiment Station’s S2-Bog meteorological station (MET) located 1.7 km northeast of the SPRUCE experimental site on the S1-Bog. Air samples were assessed for both 13C- and 14C-CO2 (carbon-carbon dioxide) signatures. 13C and 14C isotopic signatures can be used in end-member analysis and C-cycle models to track the movement of C within the experimental ecosystem, calculate turnover times within plant tissues, and to test mechanisms used in models. This dataset contains one data file in comma separate (*.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma separate (*.csv) format and a user guide in PDF (*.pdf) format.

54 ENVIRONMENTAL SCIENCES↗

Carbonate clumped isotope analysis (Δ 47 ) of 21 carbonate standards determined via gas‐source isotope‐ratio mass spectrometry on four instrumental configurations using carbonate‐based standardization and multiyear data sets

Rationale Clumped isotope geochemistry examines the pairing or clumping of heavy isotopes in molecules and provides information about the thermodynamic and kinetic controls on their formation. The first clumped isotope measurements of carbonate minerals were first published 15 years ago, and since then, interlaboratory offsets have been observed, and laboratory and community practices for measurement, data analysis, and instrumentation have evolved. Here we briefly review historical and recent developments for measurements, share Tripati Lab practices for four different instrument configurations, test a recently published proposal for carbonate‐based standardization on multiple instruments using multi‐year data sets, and report values for 21 different carbonate standards that allow for recalculations of previously published data sets. Methods We examine data from 4628 standard measurements on Thermo MAT 253 and Nu Perspective IS mass spectrometers, using a common acid bath (90°C) and small‐sample (70°C) individual reaction vessels. Each configuration was investigated by treating some standards as anchors (working standards) and the remainder as unknowns (consistency standards). Results We show that different acid digestion systems and mass spectrometer models yield indistinguishable results when instrument drift is well characterized. For linearity correction, mixed gas‐and‐carbonate standardization or carbonate‐only standardization yields similar results. No difference is observed in the use of three or eight working standards for the construction of transfer functions. Conclusions We show that all configurations yield similar results if instrument drift is robustly characterized and validate a recent proposal for carbonate‐based standardization using large multiyear data sets. Δ 47 values are reported for 21 carbonate standards on both the absolute reference frame (ARF; also refered to as the Carbon Dioxide Equilibrated Scale or CDES) and the new InterCarb‐Carbon Dioxide Equilibrium Scale (I‐CDES) reference frame, facilitating intercomparison of data from a diversity of labs and instrument configurations and restandardization of a broad range of sample sets between 2006, when the first carbonate measurements were published, and the present.

58 GEOSCIENCES↗

Anisotropic Two-Dimensional Disordered Wigner Solid

The interplay between the Fermi sea anisotropy, electron-electron interaction, and localization phenomena can give rise to exotic many-body phases. An exciting example is an anisotropic two-dimensional (2D) Wigner solid (WS), where electrons form an ordered array with an anisotropic lattice structure. Such a state has eluded experiments up to now as its realization is extremely demanding: First, a WS entails very low densities where the Coulomb interaction dominates over the kinetic (Fermi) energy. Attaining such low densities while keeping the disorder low is very challenging. Second, the low-density requirement has to be fulfilled in a material that hosts an anisotropic Fermi sea. Here, we report transport measurements in a clean (low-disorder) 2D electron system with anisotropic effective mass and Fermi sea. The data reveal that at extremely low electron densities, when the r s parameter, the ratio of the Coulomb to the Fermi energy, exceeds ≃ 38, the current-voltage characteristics become strongly nonlinear at small dc biases. Several key features of the nonlinear characteristics, including their anisotropic voltage thresholds, are consistent with the formation of a disordered, anisotropic WS pinned by the ubiquitous disorder potential.

42 ENGINEERING↗

Remote sensing of some sedimentary rocks.

Sedimentary rocks including varying sized clastics and carbonates were overflown by aircraft between 1966 and 1971 producing data in the ultraviolet to microwave regions of the electromagnetic spectrum. This paper reports that multispectral analysis increases the ease and rapidity of discrimination of rock types having subtle differences in physical characteristics, but fails to enhance and may degrade distinctions where physical characteristics are significantly different. Brief resumes of color and color IR photographic data are presented. Thermal infrared is found to be useful in the mapping of rock units, but limitations such as moisture variation, soil cover, and vegetation may exceed in one formation the distinction between differing lithologies. A brief review of previously published SLAR data is included for completeness. Remote sensing techniques should reduce field geological effort by as much as 50%.

Brennan, P. A.↗

Electronic availability of microgravity experiments safety and integration requirements documents

This follow-on to NASA Contractor Report 195447, Microgravity Experiments Safety and Integration Requirements Document Tree, provides the details for accessing the systems that contain the official, electronic versions of the documents initially researched in NASA Contractor Report 195447. The data in this report serves as a valuable information source for the NASA Lewis Research Center Project Documentation Center (PDC), as well as for all developers of space experiments. The PDC has acquired the hardware, software, ID's, and passwords necessary to access most of these systems and is now able to provide customers with current document information as well as immediate delivery of available documents in either electronic or hard copy format.

Hogan, Jean M.↗

Web Prep: How to Prepare NAS Reports For Publication on the Web

This document contains specific advice and requirements for NASA Ames Code IN authors of NAS reports. Much of the information may be of interest to other authors writing for the Web. WebPrep has a graphic Table of Contents in the form of a WebToon, which simulates a discussion between a scientist and a Web publishing consultant. In the WebToon, Frequently Asked Questions about preparing reports for the Web are linked to relevant text in the body of this document. We also provide a text-only Table of Contents. The text for this document is divided into chapters: each chapter corresponds to one frame of the WebToons. The chapter topics are: converting text to HTML, converting 2D graphic images to gif, creating imagemaps and tables, converting movie and audio files to Web formats, supplying 3D interactive data, and (briefly) JAVA capabilities. The last chapter is specifically for NAS staff authors. The Glossary-Index lists web related words and links to topics covered in the main text.

Walatka, Pamela↗

Temperature-Dependent Kinetics Studies of the Reactions Br((sup 2)P3/2) + H2S yields SH + HBr and Br((sup 2)P3/2) + CH3SH yields CH3S + HBr. Heats of Formation of SH and CH3S Radicals

Time resolved resonance fluorescence detection of Br(sup 2)P3/2) atom disappearance or appearance following 266-nm laser flash photolysis of CF2Br2/H2S/H2/N2, CF2Br2/CH3SH/H2/N2, Cl2CO/H2S/HBr/N2, and CH3SSCH3/HBr/H2/N2 mixtures has been employed to study the kinetics of the reactions Br((sup 2)P3/2) + H2S = SH + HBr (1,-1) and Br((sup2)P3/2) + CH3SH = CH3S + HBr (2, -2) as a function of temperature over the range 273-431K. Arrhenius expressions in units of 10(exp -12) cu cm/molecule/s which describe the results are k1 = (14.2 +/- 3.4) exp[(-2752 +/- 90)/T],(k-1) = (4.40 +/- 0.92) exp[(-971 +/- 73)/T],k(2) = (9.24 +/- 1.15) exp[(-386 +/- 41)/T], and k(-2) = (1.46 +/-0.21) exp[(-399 +/-41)/T; errors are 2 sigma and represent precision only. By examining Br((sup 2)P3/2) equilibrium kinetics following 355nm laser flash photolysis of Br2/CH3SH/H2/N2 mixtures, a 298 K rate coefficient of (1.7 +/- 0.5) x 10(exp -10) cu cm/molecule/s has been obtained for the reaction CH3S + Br2 yields CH3SBr + Br. To our knowledge, these are the first kinetic data reported for each of the reactions studied. Measured rate coefficients, along with known rate coefficients for similar radical + H2S, CH3SH, HBr,Br2 reactions are considered in terms of possible correlations of reactivity with reaction thermochemistry and with IP - EA, the difference between the ionization potential of the electron donor and the electron affinity of the electron acceptor. Both thermochemical and charge-transfer effects appear to be important in controlling observed reactivities. Second and third law analyses of the equilibrium data for reactions 1 and 2 have been employed to obtain the following enthalpies of reaction in units of kcal/mol: for reaction 1, Delta-H(298) = 3.64 +/- 0.43 and Delta-H(0) = 3.26 +/-0.45; for reaction 2, Delta-H(298) = -0.14 +/- 0.28 and Delta-H(0) = -0.65 +/- 0.36. Combining the above enthalpies of reaction with the well-known heats of formation of Br, HBr, H2S, and CH3SH gives the following heats of formation for the RS radicals in units of kcal/mol: Delta-H(sub f)(sub 0)(SH) = 34.07 +/- 0.72, Delta-H(sub f)(sub 298)(SH) = 34.18 +/- 0.68, Delta-H(sub f)(sub 0)(CH3S) = 31.44 +/- 0.54, Delta-H(sub f)(sub 298)(CH3S) = 29.78 +/- 0.44; errors are 2 sigma and represent estimates of absolute accuracy. The SH heat of formation determined from our data agrees well with literature values but has reduced error limits compared to other available values. The CH3S heat of formation determined from our date is near the low end of the range of previous estimates and is 3-4 kcal/mol lower than values derived from recent molecular beam photofragmentation studies.

Nicovich, J. M.↗

Data and scripts associated with a manuscript investigating impacts of solid phase extraction on freshwater organic matter optical signatures and mass spectrometry pairing

This data package is associated with the publication “Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high-resolution mass spectrometry data in a freshwater system” submitted to “Limnology and Oceanography: Methods.” This data is an extension of the River Corridor and Watershed Biogeochemistry SFA’s Spatial Study 2021 (https://doi.org/10.15485/1898914). Other associated data and field metadata can be found at the link provided. The goal of this manuscript is to assess the impact of solid phase extraction (SPE) on the ability to pair ultra-high resolution mass spectrometry data collected from SPE extracts with optical properties collected on ambient stream samples. Forty-seven samples collected from within the Yakima River Basin, Washington were analyzed dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), absorbance, and fluorescence. Samples were subsequently concentrated with SPE and reanalyzed for each measurement. The extraction efficiency for the DOC and common optical indices were calculated. In addition, SPE samples were subject to ultra-high resolution mass spectrometry and compared with the ambient and SPE generated optical data. Finally, in addition to this cross-platform inter-comparison, we further performed and intra-comparison among the high-resolution mass spectrometry data to determine the impact of sample preparation on the interpretability of results. Here, the SPE samples were prepared at 40 milligrams per liter (mg/L) based on the known DOC extraction efficiency of the samples (ranging from ~30 to ~75%) compared to the common practice of assuming the DOC extraction efficiency of freshwater samples at 60%. This data package folder consists of one main data folder with one subfolder (Data_Input). The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) final data summary output from processing script; and (5) the processing script. The R-markdown processing script (SPE_Manuscript_Rmarkdown_Data_Package.rmd) contains all code needed to reproduce manuscript statistics and figures (with the exception of that stated below). The Data_Input folder has two subfolders: (1) FTICR and (2) Optics. Additionally, the Data_Input folder contains dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (SPS_NPOC_Summary.csv) and relevant supporting Solid Phase Extraction Volume information (SPS_SPE_Volumes.csv). Methods information for the optical and FTICR data is embedded in the header rows of SPS_EEMs_Methods.csv and SPS_FTICR_Methods.csv, respectively. In addition, the data dictionary (SPS_SPE_dd.csv), file level metadata (SPS_SPE_flmd.csv), and methods codes (SPS_SPE_Methods_codes.csv) are provided. The FTICR subfolder contains all raw FTICR data as well as instructions for processing. In addition, post processed FTICR molecular information (Processed_FTICRMS_Mol.csv) and sample data (Processed_FTICRMS_Data.csv) is provided that can be directly read into R with the associated R-markdown file. The Optics subfolder contains all Absorbance and Fluorescence Spectra. Fluorescence spectra have been blank corrected, inner filter corrected, and undergone scatter removal. In addition, this folder contains Matlab code used to make a portion of Figure 1 within the manuscript, derive various spectral parameters used within the manuscript, and used for parallel factor analysis (PARAFAC) modeling. Spectral indices (SPS_SpectralIndices.csv) and PARAFAC outputs (SPS_PARAFAC_Model_Loadings.csv and SPS_PARAFAC_Sample_Scores.csv) are directly read into the associated R-markdown file. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

Big Sky Regional Carbon Sequestration Partnership (Phase III Final Scientific/Technical Report)

The Big Sky Carbon Sequestration Partnership (BSCSP) pursued a Phase III demonstration project at Kevin Dome in north central Montana. Kevin Dome covers approximately 700 square miles and is a naturally occurring CO 2 reservoir that is flanked by oil and gas fields. The carbon dioxide (CO 2 ) is in the upper Devonian Duperow (carbonate) formation and does not reach the spill point of the dome; therefore, the dome has potential as a CO 2 sequestration reservoir, a CO 2 supply, or as both if anthropogenic sources and enhanced oil recovery (EOR) operations are associated with the dome. Kevin Dome could potentially act as a buffer to continue accepting anthropogenic CO 2 when EOR flooding operations are interrupted or completed. The project objective was to produce one million tonnes of CO 2 from the gas cap of Kevin Dome, pipe it laterally, inject, and re-store it in the brine leg of the same formation to test the hub / buffer storage concept. This was to be accomplished by drilling up to five production wells, building a short pipeline and compression facilities, and drilling an injection well and several monitoring wells. BSCSP commenced outreach and site characterization activities including acquiring baseline data for near-surface insurance monitoring, acquiring 3-dimensional, 9-component surface seismic over the project area, drilling two test wells (one in the production area and one in the injection area), coring key intervals, and performing comprehensive logging. Well tests of those wells revealed two barriers to the project. The production (Danielson 33-17) well was perforated in multiple zones but failed to produce any significant CO 2 . This was despite being drilled in the near vicinity of a historic well that had produced 3700 MCF per day in a drill stem test. Modeling indicated that this was likely due to a phase change during production causing a temperature drop resulting in hydrate and/or water ice formation that clogged the formation. Tests of the injection zone (Wallewein 22-1) well indicated total dissolved solids (TDS) slightly below the EPA required 10,000 parts per million (ppm) for a Class VI underground injection control permit. While the project was initiated before Class VI rules were promulgated, and this was an experimental project (seemingly qualified for a Class V permit), the Environmental Protection Agency (EPA) indicated that injection would require a Class VI permit. The low salinity result was unexpected as contours plotted based on regional formation water quality data indicated an expected TDS above 20,000 ppm, and wells between the recharge zone and the Wallewein well tested above 10,000 ppm. Faced with the inability to obtain an injection permit, the demonstration project could not proceed. However, the project had generated valuable samples and data on a large natural analog including 32 sq. mi. of 3-D, 9-C seismic, 430 ft. of carbonate core covering seven different depositional environments taken from areas with, and without the presence of CO 2 , 30 ft. of core of two caprocks, a tight carbonate and an anhydrite, a full set of modern logs on both wells, and well tests. DOE decided to re-scope the project around completing studies utilizing this data. This report covers both the initial scope and the re-scope (Task / Section numbers preceded with an R). While the report covers a wide range of project activities, highlights of this work include: Development of a geostatic model using neural nets to match well logs to facies and using multi-waveform seismic to inform reservoir heterogeneity; Unique mechanical testing of permeability – stress relationship in two caprock materials; Development of full waveform inversion to generate a high resolution velocity model; Model development for dual permeability (fracture and matrix) systems to better account for matrix-matrix interactions; Joint seismic wave inversion (including the first quadr-joint inversion) exhibiting better imaging of a challenging reservoir zone in stiff rock; Core flow and core flood results on a reactive carbonate; and Innovative laboratory measurements of seismic response of fractured core as a function of fluid fill.

54 ENVIRONMENTAL SCIENCES↗

Characterizing major and trace element compositions in fallout melt glass from a near-surface nuclear test

We report the chemical and isotopic compositions of fallout melt glasses from nuclear tests contain a range of information constraining the physical conditions within the fireball and the mechanisms of fallout formation but historic studies tended to exclude the behavior of stable major and trace elements. Here, we present a large study specifically focused on major and trace element relationships within a population of macroscale fallout samples from a single event. We interpret these data to better constrain how fallout melt glass formation in near surface environments is influenced by that environment and demonstrate how major and trace element abundances can provide useful insights into chemical processes within the fireball. Data confirm that the uranium in the fallout glass population derives from two isotopically distinct endmembers: isotopically enriched uranium (presumably from the weapon), and natural composition uranium that may be a combination of anthropogenic and environmental materials from within the blast zone. The similarity between major and trace element concentrations in fallout and corresponding local soils from the event site confirm the local soils as the most probable source of entrained material into the fireball and the source of carrier material into which the bomb vapor was incorporated. The lack of correlation between major and trace element abundances with size indicates that volatility driven processes, such as condensation from the fireball, do not control the composition of macroscale fallout melt glass. Although the fallout has major and trace element chemical characteristics broadly similar to those of the local, associated soils, some systematic differences are observed between the two populations. Fallout melt glass is depleted in volatile elements such as K, Na, Tl and Pb, consistent with heating to temperatures above ~1000 °C for 3-10 s. This is supported by the results of laser heating experiments performed on rhyolitic soil at temperatures (1600-2200 °C) and timescales (1-120 s) that are broadly relevant to fallout formation conditions. Relative enrichments of metals such as Cu and Co do not correlate with the abundance of uranium, suggesting that fallout also records input of near field anthropogenic materials. Our observations suggest that major chemical features can be related to processing in the fireball and used to inform the thermal-chemical evolution of the system. Ultimately, these data are consistent with a fallout formation mechanism that involves rapid melting of surface materials to form carrier material melts with minor incorporation of bomb vapor and a degree of volumetric volatile loss due to heating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mechanism of Catalysis by L -Asparaginase

Two bacterial type II L -asparaginases, from Escherichia coli and Dickeya chrysanthemi, have played a critical role for more than 40 years as therapeutic agents against juvenile leukemias and lymphomas. Despite a long history of successful pharmacological applications and the apparent simplicity of the catalytic reaction, controversies still exist regarding major steps of the mechanism. In this report, we provide a detailed description of the reaction catalyzed by E. coli type II L -asparaginase (EcAII). Our model was developed on the basis of new structural and biochemical experiments combined with previously published data. The proposed mechanism is supported by quantum chemistry calculations based on density functional theory. In this work, we provide strong evidence that EcAII catalyzes the reaction according to the double-displacement (ping-pong) mechanism, with formation of a covalent intermediate. Several steps of catalysis by EcAII are unique when compared to reactions catalyzed by other known hydrolytic enzymes. Here, the reaction is initiated by a weak nucleophile, threonine, without direct assistance of a general base, although a distant general base is identified. Furthermore, tetrahedral intermediates formed during the catalytic process are stabilized by a never previously described motif. Although the scheme of the catalytic mechanism was developed only on the basis of data obtained from EcAII and its variants, this novel mechanism of enzymatic hydrolysis could potentially apply to most (and possibly all) L -asparaginases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Summary of Methodology for Mitigating Risks Associated with Licensing and Qualifying AM Nuclear Materials

The US Department of Energy’s Advanced Materials and Manufacturing Technologies (AMMT) program focuses on accelerating the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. Laser powder bed fusion (LPBF) is one of the most popular additive manufacturing (AM) processes for fabricating components with intrinsically complex geometries. LPBF was extensively explored for nuclear applications under the previous Transformational Challenge Reactor program. Additionally, Oak Ridge National Laboratory developed and licensed the Peregrine software and larger digital platform that couples machine learning and in situ data collection during AM to detect anomalies and any evolved defects. The digital platform will be critical to (1) the qualification of AM components for nuclear applications that link location-specific data to macroscopic properties and (2) predict final component performance. Current in situ process monitoring tools are valuable for observing the formation of stochastic flaws, but additional data are needed to predict the resulting microstructures and associated material performance. Rapid cooling rates and large thermal gradients have caused large heterogeneities in the microstructure, which cause anisotropy in mechanical performance. The AMMT program is evaluating the best approaches for addressing these heterogeneities and their effect on component performance using a combination of multiscale modeling, enhanced in situ process monitoring, and high throughput experimental testing. This report summarizes strategies for mitigating the risks associated with qualifying AM components, including developing new sensing capabilities for in situ process monitoring and characterizing melt pool solidification and residual stresses to inform multiscale modeling efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Method for Real-Time Salt Aerosol Concentration and Size Measurements for Molten Salt Reactor Safety Assessments

Licensing a new nuclear reactor involves evaluating credible accident scenarios by developing models that simulate accident progression to predict possible outcomes and their impact on safety. The formation of radionuclide-bearing aerosols in the respirable size range can significantly affect dose consequence and threaten human health and is therefore a focus of nuclear reactor safety assessments. Recent reviews of the literature identified a lack of existing experimental data describing the mechanisms of formation and properties (size, concentration, and composition) of radionuclide-bearing aerosols that may be produced from molten salt reactor (MSR) facilities during postulated accident scenarios. Experiments on aerosol formation from molten salt systems are a high priority need that will support MSR licensing by indicating the radiological consequences of aerosol formation and providing the data required for model development and validation. The evolving conditions that occur during a MSR accident, such as a spill of molten fuel salt, may affect aerosol formation mechanisms and aerosol properties over time. There is a need to conduct experiments that simulate credible MSR accidents in a laboratory to generate aerosols with realistic characteristics and behaviors and a need to measure these aerosols in real time under accident-relevant conditions. This report describes the development of a method that can be used to quantify the size and concentration of salt aerosol particles that form from molten salt systems in real time. This method will be employed in future integral effects tests that are conducted at an engineering scale to simulate realistic MSR accidents and in future separate effects tests that will provide mechanistic insight into aerosol formation and properties to support process model development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The origin of sinuous rilles

This report describes the distribution and morphology of sinuous rilles and presents data on rille geometry. Examples of the relation between sinuous rilles and the regional structure are given. Leading theories for the origin of sinuous rilles are discussed and evaluated. It is concluded that the general weight of evidence is against water erosion. The ash flow theory is not excluded, but evidence in its favor is weak. The best explanations involve lava tube formation for certain sinuous rilles, and faulting for others. In some cases, a gradation between faulting and igneous activity is noted.

Gornitz, V.↗