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All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Source and Chemistry of Hydroxymethanesulfonate (HMS) in Fairbanks, Alaska

Fairbanks, Alaska is a subarctic city with fine-particle (PM 2.5 ) concentrations that exceed air quality regulations in winter due to weak dispersion caused by strong atmospheric inversions, local emissions, and the unique chemistry occurring under the cold and dark conditions. Here we report on observations from the winters of 2020 and 2021, motivated by our pilot study which showed exceptionally high concentrations of fine particle hydroxy methane sulfonate (HMS) or related sulfur (IV) species (e.g., sulfite and bisulfite). We deployed an online Particle-Into-Liquid Sampler-Ion Chromatography (PILS-IC) in conjunction with a suite of instruments to determine HMS precursors (HCHO, SO 2 ) and aerosol composition in general, with the goal to characterize the sources and sinks of HMS in wintertime Fairbanks. PM 2.5 HMS comprised a significant fraction of PM 2.5 sulfur (26-41%) and overall PM 2.5 mass concentration (2.8-6.8%) during pollution episodes, substantially higher than what has been observed in other regions, likely due to the exceptionally low temperatures. HMS peaked in January, with lower concentrations in December and February, resulting from changes in precursors as well as meteorological conditions. Strong correlations with inorganic sulfate and organic mass during pollution events suggest HMS is linked to processes responsible for poor air quality episodes. These findings demonstrate unique aspects of air pollution formation in cold and humid atmospheres.

Fine-particle↗
DOE OSTI2018

Nonnegative tensor factorization for contaminant source identification

Unsupervised Machine Learning (ML) is becoming increasingly popular for solving various types of data analytics problems including feature extraction, blind source separation, exploratory analyses, model diagnostics, etc. In this work, we have developed a new unsupervised ML method based on Nonnegative Tensor Factorization (NTF) for identification of the original groundwater types (including contaminant sources) present in geochemical mixtures observed in an aquifer. Frequently, groundwater types with different geochemical signatures are related to different background and/or contamination sources. The characterization of groundwater mixing processes is a challenging but very important task critical for any environmental management project aiming to characterize the fate and transport of contaminants in the subsurface and perform contaminant remediation. This task typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. Additionally, the application of inverse methods may introduce biases in the analyses through the assumptions made in the model development process. Here, we substitute the model inversion with unsupervised ML analysis. The ML analysis does not make any assumptions about underlying physical and geochemical processes occurring in the aquifer. Our ML methodology, called NTFk, is capable of identifying (1) the unknown number of groundwater types (contaminant sources) present in the aquifer, (2) the original geochemical concentrations (signatures) of these groundwater types and (3) spatial and temporal dynamics in the mixing of these groundwater types. These results are obtained only from the measured geochemical data without any additional site information. In general, the NTFk methodology allows for interpretation of large high-dimensional datasets representing diverse spatial and temporal components such as state variables and velocities. NTFk has been tested on synthetic and real-world site three-dimensional datasets. Finally, the NTFk algorithm is designed to work with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).

58 GEOSCIENCES↗
DOE OSTI2022

The Gaia EDR3 view of Johnson-Kron-Cousins standard stars: the curated Landolt and Stetson collections

In the era of large surveys and space missions, it is necessary to rely on large samples of well-characterized stars for inter-calibrating and comparing measurements from different surveys and catalogues. Among the most employed photometric systems, the Johnson-Kron-Cousins has been used for decades and for a large amount of important datasets. Our goal is to profit from the Gaia EDR3 data, Gaia official cross-match algorithm, and Gaia -derived literature catalogues, to provide a well-characterized and clean sample of secondary standards in the Johnson-Kron-Cousins system, as well as a set of transformations between the main photometric systems and the Johnson-Kron-Cousins one. Using Gaia as a reference, as well as data from reddening maps, spectroscopic surveys, and variable stars monitoring surveys, we curated and characterized the widely used Landolt and Stetson collections of more than 200 000 secondary standards, employing classical as well as machine learning techniques. In particular, our atmospheric parameters agree significantly better with spectroscopic ones, compared to other machine learning catalogues. We also cross-matched the curated collections with the major photometric surveys to provide a comprehensive set of reliable measurements in the most widely adopted photometric systems. We provide a curated catalogue of secondary standards in the Johnson-Kron-Cousins system that are well-measured and as free as possible from variable and multiple sources. We characterize the collection in terms of astrophysical parameters, distance, reddening, and radial velocity. We provide a table with the magnitudes of the secondary standards in the most widely used photometric systems (ugriz, grizy, Gaia , HIPPARCOS, Tycho , 2MASS). We finally provide a set of 167 polynomial transformations, valid for dwarfs and giants, metal-poor and metal-rich stars, to transform UBVRI magnitudes in the above photometric systems and vice-versa.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

The Effects of Crosswind Flight on Rotor Harmonic Noise Radiation

In order to develop recommendations for procedures for helicopter source noise characterization, the effects of crosswinds on main rotor harmonic noise radiation are assessed using a model of the Bell 430 helicopter. Crosswinds are found to have a significant effect on Blade-Vortex Interaction (BVI) noise radiation when the helicopter is trimmed with the fuselage oriented along the inertial flight path. However, the magnitude of BVI noise remains unchanged when the pilot orients the fuselage along the aerodynamic velocity vector, crabbing for zero aerodynamic sideslip. The effects of wind gradients on BVI noise are also investigated and found to be smaller in the crosswind direction than in the headwind direction. The effects of crosswinds on lower harmonic noise sources at higher flight speeds are also assessed. In all cases, the directivity of radiated noise is somewhat changed by the crosswind. The model predictions agree well with flight test data for the Bell 430 helicopter captured under various wind conditions. The results of this investigation would suggest that flight paths for future acoustic flight testing are best aligned across the prevailing wind direction to minimize the effects of winds on noise measurements when wind cannot otherwise be avoided.

Greenwood, Eric↗
NASA NTRS1992

The cool-star spectral catalog: A uniform collection of IUE SWP-LOs

Over the past decade and a half of its operations, the International Ultraviolet Explorer has recorded low-dispersion spectrograms in the 1150-2000 A interval of more than 800 stars of late spectral type (F-M). The sub-2000 A region contains a number of emission lines that are key diagnostics of physical conditions in the high-excitation chromospheres and subcoronal 'transition zones' of such stars. Many of the sources have been observed a number of times, and the available collection of SWP-LO exposures in the IUE Archives exceeds 4,000. With support from the Astrophysics Data Program, we have assembled the archival material into a catalog of IUE far-UV fluxes of late-type stars. In order to ensure uniform processing of the spectra, we: (1) photometrically corrected the raw vidicon images with a custom version of the 1985 SWP ITF; (2) identified and eliminated, sharp cosmic-ray 'hits' by means of a spatial filter; (3) extracted the spectral traces with the 'optimal' (weighted-slit) strategy; and (4) calibrated them against a well-characterized reference source, the DA white dwarf G191-B2B. Our approach is similar to that adopted by the IUE Project for its 'Final Archive', but our implementation is specialized to the case of chromospheric emission-line sources. We measured the resulting SWP-LO spectra using a semi-autonomous algorithm that establishes a smooth continuum by numerical filtering, and then fits the significant emissions (or absorptions) by means of a constrained Bevington-type multiple-Gaussian procedure. The algorithm assigns errors to the fitted fluxes - or upper limits in the absence of a significant detection - according to a model based on careful measurements of the noise properties of the IUE's intensified SEC cameras. Here, we describe the 'visualization' strategies we adopted to ensure human-review of the semi-autonomous processing and measuring algorithms; the derivation of the noise model and the assignment of errors; and the structure of the final catalog as delivered to the Astrophysics Data System.

Ayres, T.↗
DOE OSTI2021

Examining the Characteristics of the Cropland Data Layer in the Context of Estimating Land Cover Change

The United States Department of Agriculture (USDA) Cropland Data Layer (CDL) provides spatially explicit information about crop production area and has served as a prevalent data source for characterizing cropland change in the U.S. in the last decade. Understanding the accuracy of the CDL is paramount because of the reliance on it for management and policy making. This study examined the characteristics of the CDL from 2007 to 2017 using comparisons to other USDA datasets. The results showed when examining the cropland area for the same year, the CDL produced comparable trends with other datasets (R 2 > 0.95), but absolute area differed. The estimated area of cropland changes from 2007 to 2012, 2008 to 2012 and 2012 to 2017 varied from weak to moderate correlation between the CDL and the tabular data (R 2 = 0.005~0.63). Differences in area of cropland change varied widely between data sources with the CDL estimating much larger change area. A series of image processing techniques designed to improve the confidence in cropland change estimated using the CDL reduced the area of estimated cropland change. The techniques also, unexpectedly, lowered the correlation in change estimated between the CDL and the tabular datasets. Estimated land cover change area varied widely based on analyses applied and could reverse from increasing to declining area in cropland. Further analyses showed unlikely change scenarios when comparing different year combinations. The authors recommend the CDL only be used for land cover change analysis if the error can be estimated and is within change estimates.

58 GEOSCIENCES↗
NASA NTRS2010

Understanding Aerosol Direct Radiative Forcing - How Satellites Fit In

The aerosol data products from the NASA Earth Observing System's MISR and MODIS instruments provide significant advances in regional and global aerosol optical depth (AOD) mapping, aerosol type measurement, and source plume characterization from space. Although these products have been and are being used for many applications, ranging from regional air quality assessment, to aerosol air mass type identification and evolution, to aerosol injection height and aerosol transport model validation, uncertainties still limit the quantitative constraints these satellite data place on global-scale direct aerosol radiative forcing. Some further refinement of the current aerosol products is possible, but a major advance in this area seems to require a different paradigm, involving the integration of satellite and suborbital data with models. This presentation will briefly summarize where we stand, and what incremental advances we can expect, with the current aerosol products, and will then elaborate on some initial steps aimed at the necessary integration of data from multiple sources and models.

Kahn, R. A.↗
NASA NTRS2010

Aerosol Mapping From Space: Strengths, Limitations, and Applications

The aerosol data products from the NASA Earth Observing System's MISR and MODIS instruments provide significant advances in regional and global aerosol optical depth (AOD) mapping, aerosol type measurement, and source plume characterization from space. These products have been and are being used for many applications, ranging from regional air quality assessment, to aerosol air mass type identification and evolution, to wildfire smoke injection height and aerosol transport model validation. However, retrieval uncertainties and coverage gaps still limit the quantitative constraints these satellite data place on some important questions, such as global-scale long-term trends and direct aerosol radiative forcing. Major advances in these areas seem to require a different paradigm, involving the integration of satellite with suborbital data and with models. This presentation will briefly summarize where we stand, and what incremental improvements we can expect, with the current MISR and MODIS aerosol products, and will then elaborate on some initial steps aimed at the necessary integration of satellite data with data from other sources and with chemical transport models.

Kahn, Ralph↗
DOE OSTI2023

Depletion-driven thermochemistry of molten salt reactors: review, method, and analysis

Molten salt reactors (MSRs) are innovative advanced nuclear reactors that utilize nuclear fuel by dissolving it in a high-temperature liquid salt. This unique feature differentiates MSRs from other types of reactors and allows for enhanced safety and economic performance. The liquid fuel also entails several multiphysics effects that can complicate reactor design and operation. One primary effect termed here as depletion-driven thermochemistry is a driving force in altering the multiphysics behavior of the reactor. Essentially, depletion-driven thermochemistry is the effect that fuel depletion has on changing the chemical redox potential of the fuel salt over time. As the fuel is consumed, the redox potential shifts toward a more oxidizing state. Without active control, the changing chemistry due to depletion increases corrosion thereby limiting reactor component lifetimes. Additionally, the changing redox potential of the fuel salt alters the vapor pressures of chemical species dissolved in the fuel salt. Changing vapor pressures of species in the fuel salt is an important parameter to understand when off-gassing volatile species during normal reactor operation, and for source term characterization during accident scenario transients. The present work represents a fundamental step toward modeling and coupling the driving physics (i.e., neutronics and chemistry) involved in altering the redox potential in an MSR. Here, the neutronic code Griffin models the depletion of the fuel-salt system, while the chemical equilibrium code Thermochimica calculates the thermochemical state of the isotopic inventory, using the Molten Salt Thermodynamic Database - Thermochemical (MSTDB-TC). These two codes are tightly coupled to predict the impact of fuel depletion in altering the chemistry in MSR systems. Redox potential control methods are discussed and can be modeled using this multiphysics approach. The vapor pressures of chemical species that could be extracted to an off-gas system, as determined by the reactor’s thermochemical state, are examined. The neutronics-chemistry coupling developed in this work is expected to have potential application for analyzing corrosion, source term evolution, and material safeguards in MSR systems. Lastly, suggestions for areas of further improvements of the models to expand these capabilities by incorporating other coupled physics effects is provided.

Walker, Samuel A.↗
NASA NTRSDate not supplied

Flux Comparison of Master-8 and Ordem 3.1 Modelled Space Debris Population

With ESA’s Meteoroid And Space debris Terrestrial Environment Reference (MASTER-8) model and NASA’s Orbital Debris Engineering Model(ORDEM) 3.1, the two premier orbital debris engineering models have been officially released. The two models come with significant enhancements and now represent state-of-the-art orbital debris modelling for their respective agencies. Both models provide the community with estimates of the space debris environment from low Earth orbit (LEO) up to at least geostationary altitude. The MASTER population is an event-based simulation of all known events that generate debris and objects that are part of the U.S. Space Surveillance Network (SSN) catalog, which provides coverage of objects with diameters down to approximately 10cm in LEO and 1 m in geosynchronous Earth orbit (GEO). Different models are used to simulate the artificial objects and their orbit evolution over time. These models are called “sources” since they assign an origin to each individual object and consist of fragments, solid rocket motor (SRM) remainders, sodium-potassium(NaK) droplets, paintflakes, ejecta, and multi-layer insulation (MLI) fragments. The objects from each source are characterized by having individual release mechanisms, as well as orbital distributions, material composition, size, and mass distributions. Dedicated radar and telescope observation data is used to calibrate the model for objects larger than 1 cm in LEO and larger than 10 cm in GEO. For calibrating the small-sized objects, below 1 cm, impact data from returned surfaces are analyzed. Because the >1cm object population is dominated by fragments, the fragmentation event database was updated to include new events, as well as re-evaluate past events. Special attention was drawn to re-evaluating theFengyun-1C anti-satellite test from 2007 and Cosmos-Iridium collision event from 2009 since these events shape the fragment population because of their severity. After 2009, the two largest fragmentations in terms of number of tracked debris are the Briz-M explosion in 2012 and the NOAA-16explosion in 2015. In total, there are 261 confirmed fragmentations in the database up to November 2016.The baseline population for ORDEM 3.1 is based on the U.S. SSN catalog, and observational datasets from radar, in situ, and optical sources provide a foundation from which the model populations are statistically extrapolated to smaller size regions. These regions are not well-covered by the SSN catalog yet may pose the greatest threat to operational spacecraft. The NASA Standard Satellite Breakup Model is used to generate fragments greater than 1mm from collisions and explosions, and these fragment populations are scaled using ground-based radar data. Specific major debris-producing events, including the Fengyun-1C, Iridium 33, and Cosmos2251 debris clouds, and unique populations, such as NaK droplets, were re-examined, modelled, and added to the ORDEM environment separately. Optical measurement data is used to model the GEO population down to 10 cm. The debris environment is propagated using NASA’s LEO-to-GEO Environment Debris model, and future explosions of intact objects and collisions involving objects greater than 10 cm are assessed statistically. The environment from a few millimetres down to 10 𝜇m is modelled using a special degradation model where small particles are generated from intact spacecraft and rocket bodies, then the populations are scaled to fit in situ cratering data from Space Shuttle returned surfaces. Fragments smaller than 10 cm are differentiated based on material density categories, i.e., high-, medium-, and low-density, to better characterize the potential debris risk posed to upper stages and spacecraft. This paper will discuss the MASTER and ORDEM approaches for modelling populations and compare fluxes for specific orbits, including sun-synchronous, ISS-altitude, geosynchronous transfer, and GEO. In the end, a conclusion is drawn towards the importance of having multiple fundamentally different, yet validated, models to estimate the space debris population.

Andre Horstmann↗
NASA NTRS2010

Qualification and Selection of Flight Diode Lasers for Space Applications

The reliability and lifetime of laser diodes is critical to space missions. The Nuclear Spectroscopic Telescope Array (NuSTAR) mission includes a metrology system that is based upon laser diodes. An operational test facility has been developed to qualify and select, by mission standards, laser diodes that will survive the intended space environment and mission lifetime. The facility is situated in an electrostatic discharge (ESD) certified clean-room and consist of an enclosed temperature-controlled stage that can accommodate up to 20 laser diodes. The facility is designed to characterize a single laser diode, in addition to conducting laser lifetime testing on up to 20 laser diodes simultaneously. A standard laser current driver is used to drive a single laser diode. Laser diode current, voltage, power, and wavelength are measured for each laser diode, and a method of selecting the most adequate laser diodes for space deployment is implemented. The method consists of creating histograms of laser threshold currents, powers at a designated current, and wavelengths at designated power. From these histograms, the laser diodes that illustrate a performance that is outside the normal are rejected and the remaining lasers are considered spaceborne candidates. To perform laser lifetime testing, the facility is equipped with 20 custom laser drivers that were designed and built by California Institute of Technology specifically to drive NuSTAR metrology lasers. The laser drivers can be operated in constant-current mode or alternating-current mode. Situated inside the enclosure, in front of the laser diodes, are 20 power-meter heads to record laser power throughout the duration of lifetime testing. Prior to connecting a laser diode to the current source for characterization and lifetime testing, a background program is initiated to collect current, voltage, and resistance. This backstage data collection enables the operational test facility to have full laser diode traceablity.

Liebe, Carl C.↗
NASA NTRS2005

Gases and Aerosols over North America and the Atlantic: First results from INTEX-A

Intercontinental Chemical Transport Experiment (INTEX; http://cloud1.arc.nasa.gov) is an ongoing two-phase integrated atmospheric field experiment being performed over North America (NA). Its first phase (INTEX-A) was performed in the summer of 2004 and the second phase (INTEX-B) is planned for the early spring of 2006. The main goal is to characterize the sources and distribution of gases and aerosols over NA and to understand their transport and transformation on transcontinental/intercontinental scales in order to assess their impact on air quality and climate. Central to achieving this goal is the need to relate space-based observations with those from airborne and surface platforms. During JNTEX-A, NASA s DC-8 was joined by some dozen other aircraft from a large number of European (U. K., France, and Germany) and North American partners to explore the composition of the troposphere over NA and the Atlantic in a coordinated manner. Global and regional models along with satellite observations were extensively used to plan, coordinate, and implement this field mission. Aircraft were instrumented to measure a comprehensive suite of gases and aerosols utilizing in-situ and remote sensors. The NASA DC-8 alone was equipped with some 20 instruments capable of measuring species at concentrations as low as 10(exp -15) v/v. Measurements included major atmospheric gaseous constituents (O3, NO(x), HNO3, HNO4, PANS, SO2, VOC/OVOC, CO, and CO2), free radicals and precursors (OH, HO2, H2O2, HCHO), aerosols and radiation (microphysics, composition, optical depth, radiative flux), as well as multiple tracers of pollution. Validation of instruments aboard Terra, Aqua, and Envisat satellites was given high priority. Some of the highest pollution levels were present in the upper troposphere due to widespread deep convection. Although unexpected, frequent instances of Asian pollution over NA were encountered during these summer months. The soil uptake of CO2 over NA was characterized over large regions of NA helping to understand the continents CO2-sink potential. DC-8 sampling of smoke from Alaskan fires and formaldehyde over forested regions, and simultaneous satellite observations of these provided excellent opportunities for the interplay of these platforms. Outflow of pollution from NA was sampled again over the Atlantic after several days to assess its evolution during transport. Models of chemistry and radiation are presently being employed to help in the interpretation of JNTEX-A data. The planning for INTEX-B (spring 2006) is currently underway. First results from INTEX-A and plans for INTEX-B will be discussed

Singh, Hanwant B.↗
DOE OSTI2020

Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation

Uncertainty analysis is a critical requirement in reactor simulation as it is used to quantify the reliability of best-estimate calculation. A comprehensive uncertainty analysis should characterize all sources of uncertainties in a computationally-feasible and scientifically-defendable manner. Here we employ a well-established reduced order modeling (ROM) based uncertainty quantification methodology to propagate uncertainties throughout neutronic calculations. ROM relies on recent advances in randomized data mining techniques applied to large data streams. In our proposed implementation, the nuclear data uncertainties are first propagated from multi-group level through lattice physics calculation to generate few-group parameter uncertainties, described using a vector of mean values and a covariance matrix. Employing an ROM-based compression of the covariance matrix, the few-group uncertainties are then propagated through downstream core simulation in a computationally efficient manner. This straightforward approach, albeit efficient as compared to brute force forward and/or adjoint-based methods, often employs a number of assumptions that have been unquestioned in the literature of neutronic uncertainty analysis. This manuscript argues that these assumptions could introduce another source of uncertainty referred to as modeling uncertainties, whose magnitude needs to be quantified in tandem with nuclear data uncertainties. Thus, our primary goal is to explore the interactions between these two uncertainty sources in order to assess whether modeling uncertainties have an impact on parameter uncertainties. To explore this endeavor, the impact of a number of modeling assumptions on core attributes uncertainties is quantified. The study employs a CANDU reactor model, with Serpent and NEWT as lattice physics solvers and NESTLE-C as core simulator. The modeling assumptions investigated include those related with the uncertainty propagation method employed, e.g., deterministic vs. stochastic, the few-group energy structure employed to represent the cross-sections, the resonance treatment in lattice physics calculation, the reference values for the cross-section, and the number of samples employed to render ROM compression. Results indicate that some of the modeling assumptions could have a non-negligible impact on the core responses propagated uncertainties, highlighting the need for a more comprehensive approach to combine parameter and modeling uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Prospecting for Critical Minerals and Rare Earth Elements from Marcellus Shale in the Western Portion of the Appalachian Basin with Non-Destructive Core Characterization

Identification of sources for domestic critical minerals and rare earth elements (CM/REE) has been deemed essential for the energy transition by the United States Department of Energy (DOE). The U.S. DOE’s National Energy Technology Laboratory’s (NETL) Geomaterials Characterization Laboratory has performed non-destructive core characterizations on energy-relevant rock cores for the past decade. During this time, NETL has published over 36 technical reports and made the associated data publicly available. Much of this work focuses on unconventional shale gas, subsurface carbon storage systems, and carbon-ore. These efforts provide cm-scale petrophysical and elemental data, photographic documentation, detailed core descriptions, and computed tomography (CT) data for each well. This provides a first phase prospecting resource for CM/REE resources and can provide a map for pin-pointing intervals and lithologies for further development. Using historical core characterization data from 12 Marcellus wells from the western portion of the Appalachian Basin, this study builds an improved understanding of the chemostratigraphy of the basin. X-ray fluorescence (XRF) and CT images were used to determine lithologic intervals and potential ore bodies for further analysis, including benchtop digestion and inductively coupled plasma mass spectrometry (ICP-MS) to better understand the CM/REE enrichments.

Paronish, Thomas J.↗
NASA NTRS2011

Atmospheric Chemistry Over Southern Africa

During the southern African dry season, regional haze from mixed industrial pollution, biomass burning aerosol and gases from domestic and grassland fires, and biogenic sources from plants and soils is worsened by a semi-permanent atmosphere gyre over the subcontinent. These factors were a driver of several major international field campaigns in the 1990s and early 2000s, and attracted many scientists to the region. Some researchers were interested in understanding fundamental processes governing chemistry of the atmosphere and interaction with climate change. Others found favorable conditions for evaluating satellite-derived measurements of atmospheric properties and a changing land surface. With that background in mind a workshop on atmospheric chemistry was held in South Africa. Sponsored by the International Commission for Atmospheric Chemistry and Global Pollution (ICACGP; http://www.icacgp.org/), the workshop received generous support from the South African power utility, Eskom, and the Climatology Research Group of the University of the Witwatersrand, Johannesburg, South Africa. The purpose of the workshop was to review some earlier findings as well as more recent findings on southern African climate vulnerability, chemical changes due to urbanization, land-use modification, and how these factors interact. Originally proposed by John Burrows, president of ICACGP, the workshop was the first ICACGP regional workshop to study the interaction of air pollution with global chemical and climate change. Organized locally by the University of the Witwatersrand, the workshop attracted more than 60 delegates from South Africa, Mozambique, Botswana, Zimbabwe, France, Germany, Canada, and the United States. More than 30 presentations were given, exploring both retrospective and prospective aspects of the science. In several talks, attention was focused on southern African chemistry, atmospheric pollution monitoring, and climate processes as they were studied in the field campaigns such as Transport and Atmospheric Chemistry Near the Equator-Atlantic (TRACE-A), Southern African Fire-Atmosphere Research Initiative (SAFARI-92), and Southern African Regional Science Initiative (SAFARI 2000). Since those large international efforts, satellites have matured enough to enable quantifiable measurements of regional land surface, atmosphere, and ocean. In addition, global and chemical transport models have also been advanced to incorporate various data. Thus, the timing of the workshop was right for a full-fledged re-assessment of the chemistry, physics, and socio-economical impacts caused by pollution in the region, including a characterization of sources, deposition, and feedbacks with climate change.

Gatebe, Charles K.↗
DOE OSTI2023

Microseismic Monitoring of Laboratory Hydraulic Fracturing Experiments in Granitic Rocks for Different Fracture Propagation Regimes

While hydraulic fracturing (HF) is a widely employed process, the underlying fracturing processes are still heavily contested. The attributes of the HF generated fracture network can exhibit substantial variation when dealing with specific HF propagation regimes encountered in the field. In this study, HF experiments were performed on true-triaxially loaded Barre granite cubes, with microseismic monitoring, to identify and characterize the fracturing mechanisms associated with different viscosity injection fluids. Utilizing fluids with high (oil/1450 cP) and low (water/1 cP) viscosity represented two key HF propagation regimes: viscosity- and toughness-dominated. The experiments conducted with oil involved higher breakdown pressures, larger fluid volumes, and slower fracture propagation speeds. Furthermore, the frequency–magnitude distribution (b value) for all experiments (1.9–2.3) was similar to those encountered for large-scale operations. Slightly larger b values were encountered during the initiation phase (2.4–2.7) relative to the fracture propagation and post-fracturing phases (1.9–2.2). Techniques such as polarity and moment-tensor inversion were utilized to characterize the source mechanisms. For the HF experiments with oil, tensile fractures were most dominant (92%) in the initiation phase compared to fracture propagation and post-fracturing phases (70–75%). Similar tensile fracturing dominancy was not observed with water, attributable to fluid permeation and leak-off. Regardless of the injection fluid or classification criteria employed, tensile fractures were the dominant type consistently, with fewer occurring in water experiments but the specific ratio of crack types varied with different source mechanism criteria employed.

58 GEOSCIENCES↗
DOE OSTI2019

An investigation of {sup 60}Co gamma radiation-induced effects on the properties of nanostructured α-MoO{sub 3} for the application in optoelectronic and photonic devices

Gamma ray has sufficient energy to ionize and displace of atoms when interacts with optoelectronic and photonic devices that are placed at γ-radiation exposure environment, can be exposed to gamma radiation, resulting the alteration of the physical properties and hence the performances of devices. A comprehensive investigation of physical properties of the semiconductor materials under the influence of gamma radiation is essential for the effective design of devices for the application in the radiation exposure environment. In this article, a potential candidate for optoelectronic and photonic devices, orthorhombic MoO{sub 3} nanoparticles with average crystallite size of 135.31 nm successfully synthesized by hydrothermal method. Then, the properties of nanoparticles exposed to low (10 kGy) and high (120 kGy) absorbed dose of γ-rays from {sup 60}Co source were characterized by XRD, FESEM, FTIR and UV–Vis–NIR spectrophotometer and effects of absorbed doses was investigated for the first time. A significant change is observed in different physical properties of α-MoO{sub 3} nanoparticles after gamma exposure. The XRD patterns reveal the average crystallite size, intensity and the degree of crystallinity decrease for low dose (10 kGy) and increases for high dose (120 kGy). The calculated average crystallite size exposed to low and high doses are 127.79 nm and 136 nm, respectively. The lattice strain and dislocation density, however, shows the opposite trend of crystallite size with absorbed doses. This result is good evidence for the deterioration of crystallinity for low dose and improvement for high dose. The FESEM results reveal the significant effects of gamma doses on the micrographs of layered structure and on grain size. The optical studies disclose that band gap increases gradually from 2.78 to 2.90 eV, this behavior is associated with the reduction of electronic localized states. These results suggest that α-MoO{sub 3} nanoparticles could tolerate high doses of gamma radiation, making it a promising candidate for optoelectronic and photonic devices for γ-ray exposure environment applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

SCALE depletion capabilities for molten salt reactors and other liquid-fueled systems

Nuclear reactor systems that use fuel dissolved in a liquid have the potential for enhanced safety characteristics, improved fuel-cycle outcomes, and more efficient isotope-production configurations. In these reactor systems, the fueled liquid may simultaneously undergo irradiation, physical and chemical removal processes, and fueling. The modeling and simulation of this transmutation and decay with material additions and removals is an ongoing research area. An accurate simulation tool is critical to the reactor and fuel-cycle design, reactor deployment, and source-term characterization for these advanced reactor systems. The work described herein involved implementing, testing, and applying the capability to perform reactor physics simulations within the Oak Ridge National Laboratory-developed SCALE suite for nuclear systems analyses and design, leveraging much of its pedigree in quality-assurance and reactor-analysis capabilities. The functionalities to simulate irradiation with material feeds and removals had been added in ORIGEN, and the TRITON reactor physics sequence was extended to calculate the total removed material and track external nonirradiated mixtures to estimate separate processing or waste streams. Results from these capabilities align with analytical expectations obtained from ORIGEN for simplified test cases and with expectations for a molten salt reactor application. This implementation, available with the SCALE 6.3 release, provides for a more efficient and accurate material accountability methodology, allowing for the characterization, design, and analysis of the complete isotopic material inventory of advanced liquid-fueled systems for a variety of applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗