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DOE OSTI2023

Adjoint DSMC for nonlinear spatially-homogeneous Boltzmann equation with a general collision model

We derive an adjoint method for the Direct Simulation Monte Carlo (DSMC) method for the spatially homogeneous Boltzmann equation with a general collision law. This generalizes our previous results in Caflisch et al., which was restricted to the case of Maxwell molecules, for which the collision rate is constant. The main difficulty in generalizing the previous results is that a rejection sampling step is required in the DSMC algorithm in order to handle the variable collision rate. We find a new term corresponding to the so-called score function in the adjoint equation and a new adjoint Jacobian matrix capturing the dependence of the collision parameter on the velocities. The new formula works for a much more general class of collision models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Comparing Sensor Fusion and Multimodal Chemometric Models for Monitoring U(VI) in Complex Environments Representative of Irradiated Nuclear Fuel

Optical sensors and chemometric models were leveraged for the quantification of uranium(VI) (0–100 μg mL –1 ), europium (0–150 μg mL –1 ), samarium (0–250 μg mL –1 ), praseodymium (0–350 μg mL –1 ), neodymium (0–1000 μg mL –1 ), and HNO 3 (2–4 M) with varying corrosion product (iron, nickel, and chromium) levels using laser fluorescence, Raman scattering, and ultraviolet–visible–near-infrared absorption spectra. In this paper, an efficient approach to developing and evaluating tens of thousands of partial least-squares regression (PLSR) models, built from fused optical spectra or multimodal acquisitions, is discussed. Each PLSR model was optimized with unique preprocessing combinations, and features were selected using genetic algorithm filters. The 7-factor D-optimal design training set contained just 55 samples to minimize the number of samples. The performance of PLSR models was evaluated by using an automated latent variable selection script. PLS1 regression models tailored to each species outperformed a global PLS2 model. PLS1 models built using fused spectra data and a multimodal (i.e., analyzed separately) approach yielded similar information, resulting in percent root-mean-square error of prediction values of 0.9–5.7% for the seven factors. Further, the optical techniques and data processing strategies established in this study allow for the direct analysis of numerous species without measuring luminescence lifetimes or relying on a standard addition approach, making it optimal for near-real-time, in situ measurements. Nuclear reactor modeling helped bound training set conditions and identified elemental ratios of lanthanide fission products to characterize the burnup of irradiated nuclear fuel. Leveraging fluorescence, spectrophotometry, experimental design, and chemometrics can enable the remote quantification and characterization of complex systems with numerous species, monitor system performance, help identify the source of materials, and enable rapid high-throughput experiments in a variety of industrial processes and fundamental studies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Spatiotemporal Controls on the Delivery of Dissolved Organic Matter to Streams Following a Wildfire

Warmer and drier climate has contributed to increased occurrence of large, high severity wildfires in the Pacific Northwest, drawing concerns for water quality and ecosystem recovery. While nutrient fluxes generally increase post-fire, the composition of organic matter (OM) transported to streams immediately following a fire is poorly constrained, yet can play an integral role in downstream water quality and biogeochemistry. Here, we quantified the spatiotemporal patterns of dissolved OM (DOM) chemistry for five streams burned by wildfires in Oregon, USA in 2020. We sampled over a 24-hour storm event one month after the fire, revealing variable temporal behavior in DOM dynamics. DOM chemistry was directly related with burn severity spatially. Specifically, nitrogen and aromatic character of DOM increased in streams burned at greater severity. Our results suggest a spatial overprinting of DOM dynamics immediately following fire activity and highlight a key gap in our knowledge of post-fire DOM transport to streams.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

CEPHEID VARIABLES IN THE MASER-HOST GALAXY NGC 4258

We present results of a ground-based survey for Cepheid variables in NGC 4258. This galaxy plays a key role in the Extragalactic Distance Scale due to its very precise and accurate distance determination via very long baseline interferometry observations of water masers. We imaged two fields within this galaxy using the Gemini North telescope and the Gemini Multi-Object Spectrograph, obtaining 16 epochs of data in the Sloan Digital Sky Survey gri bands over 4 yr. We carried out point-spread function photometry and detected 94 Cepheids with periods between 7 and 127 days, as well as an additional 215 variables which may be Cepheids or Population II pulsators. We used the Cepheid sample to test the absolute calibration of theoretical gri Period–Luminosity relations and found good agreement with the maser distance to this galaxy. The expected data products from the Large Synoptic Survey Telescope should enable Cepheid searches out to at least 10 Mpc.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

A probabilistic analysis of cumulative carbon emissions and long-term planetary warming

Efforts to mitigate and adapt to long-term climate change could benefit greatly from probabilistic estimates of cumulative carbon emissions due to fossil fuel burning and resulting CO 2 -induced planetary warming. Here we demonstrate the use of a reduced-form model to project these variables. We performed simulations using a large-ensemble framework with parametric uncertainty sampled to produce distributions of future cumulative emissions and consequent planetary warming. A hind-cast ensemble of simulations captured 1980–2012 historical CO 2 emissions trends and an ensemble of future projection simulations generated a distribution of emission scenarios that qualitatively resembled the suite of Representative and Extended Concentration Pathways. The resulting cumulative carbon emission and temperature change distributions are characterized by 5–95th percentile ranges of 0.96–4.9 teratonnes C (Tt C) and 1.4 °C–8.5 °C, respectively, with 50th percentiles at 3.1 Tt C and 4.7 °C. Within the wide range of policy-related parameter combinations that produced these distributions, we found that low-emission simulations were characterized by both high carbon prices and low costs of non-fossil fuel energy sources, suggesting the importance of these two policy levers in particular for avoiding dangerous levels of climate warming. With this analysis we demonstrate a probabilistic approach to the challenge of identifying strategies for limiting cumulative carbon emissions and assessing likelihoods of surpassing dangerous temperature thresholds.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Network analysis of earthquake ground motion spatial correlation: a case study with the San Jacinto seismic nodal array

SUMMARY The spatial correlation of earthquake ground motion intensity can be measured from strong motion data; however, the data used in past studies is sparsely sampled in space, and only the interstation distance was considered as a correlation variable. These limitations mean that we have only weak constraints on the true correlation structure of ground motion and that potentially important aspects of spatial correlation are unconstrained. In this study, we combine a large-N seismic array and graph analytics to explore this issue at a local scale using small local and regional earthquakes. Our result suggests site conditions, and how they interact with the incident seismic wavefield, strongly condition the spatial correlation of ground motion. Future progress in characterizing ground motion spatial variability will require dense wavefield measurements, either through nodal deployments, or perhaps distributed acoustic sensing measurements, of seismic wavefields. Aftershock sequences of major earthquakes would provide particularly data-rich targets of opportunity.

58 GEOSCIENCES↗

DOE OSTI2019

Biogeographic classification of streams using fish community– and trait–environment relationships

Abstract Aim Present a hybrid biogeographic and environmentally constrained clustering approach to classify ~853,000 stream reaches in the eastern United States. Examine the frequency of stream typologies in the landscape relative to anthropogenic stressors to identify potential stream conservation needs. Location Eastern United States. Methods Fish communities at 956 least‐disturbed sampling reaches were characterized using taxonomic and functional composition of native species. Environmental variables summarized within stream reaches included stream discharge, channel gradient, hydrologic regime, summer water temperature and boundaries of freshwater ecoregions. Multivariate regression trees were used to relate environmental variables to fish communities while simultaneously developing taxa‐ and trait‐specific biogeographic classifications. We then overlaid stream classifications with indices of anthropogenic disturbances to evaluate rarity and risk of complete loss of natural representation of stream types. Results Taxonomically based classes represented a combination of ecoregional boundaries and environmental gradients, whereas temperature gradients were most important in differentiating functional composition. An optimal taxonomy‐based classification contained 13 classes and explained 26.4% of community variation, and the optimal trait‐based classification contained 6 classes, explaining 25.2% of community variation. Overlaying class maps with an anthropogenic disturbance index revealed substantial variation in the severity of degradation among classes relative to their abundance in the landscape, especially rare classes (i.e., large rivers and cold headwater systems). Main conclusions We demonstrate the value of integrating local, regional and historical biogeographic factors with taxonomic and functional characteristics of freshwater biota to classify ecosystems based on mechanistic biota–environment relationships. This approach is important to addressing the challenge of developing stream classifications that reconcile the environmental drivers of community trait composition with the constraints of biogeographic regionality at large spatial scales. Furthermore, the spatially explicit and high‐resolution maps disseminated here can uniquely inform management decisions regarding anthropogenic threats to the biodiverse freshwaters of the eastern United States.

Troia, Matthew J.↗

DOE OSTI2015

Highly Textured BaTiO 3 via Templated Grain Growth and Resulting Polarization Reversal Dynamics

Samples of bulk textured polycrystalline BaTiO 3 ceramics were fabricated using a templated grain growth ( TGG ) approach in order to investigate effects of polycrystallinity and texture related to ferroelectric domain reversal under high‐power drive conditions. Barium titanate platelets were formed via two‐step topochemical conversion of bismuth titanate platelets grown via molten salt synthesis, then aligned via tape casting within a matrix of fine BaTiO 3 powder. The coarse‐grained parts showed a high degree of crystallographic texture after sintering. Combined with ceramics of similar density and polycrystallinity, but random orientation and commercial single‐crystal specimens, this sample set enabled direct isolation of crystallographic texture and polycrystallinity as the primary variables for high‐power polarization reversal studies. These studies have also demonstrated a link between grain size and polarization reversal time that strongly suggests that grain boundaries serve effectively as nucleation sites during the ferroelectric switching process.

Meier, William↗

DOE OSTI2020

Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC (2020 Status Report)

Savannah River Site (SRS) stores plutonium materials within model 9975 shipping packages in the K-Area Complex (KAC). The 9975 shipping package consists of a 35 gallon stainless steel drum, Celotex fiberboard insulation, lead shield, and primary and secondary containment vessels. The 9975 shipping package design, performance, and analysis for safe transport of radioactive material are described in the Safety Analysis Report for Packaging (SARP). Celotex fiberboard provides three safety functions: thermal insulation to limit internal temperature during a fire, criticality control, and resistance to package crushing. The fiberboard material must retain its dimensions and density within certain ranges to provide the required impact resistance, criticality control, and fire resistance. The SRS Surveillance Program monitors material performance to establish a basis for service life and ensures the continued integrity of 9975 packages. Fiberboard samples, taken from multiple fiberboard assemblies fabricated from cane and softwood fiberboard, have been conditioning in elevated temperature environments since 2005. The samples are periodically examined to monitor thermal, mechanical, and physical properties, and assess degradation trends. Fiberboard properties of interest that are evaluated to demonstrate acceptable long-term performance include dimensional stability, density, compressive strength, thermal conductivity, and specific heat capacity. Duplicate samples from multiple package sources have been tested to identify the range of variability in fiberboard properties and degradation rates. Baseline and long-term testing of fiberboard material properties have been reported previously; reference 6 summarized experimental results of cane and softwood fiberboard through May 2019 and presented degradation models for the measured properties. This report presents the cumulative data collected through June 2020 and the corresponding updated aging models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Whence the Interstellar Magnetic Field Shaping the Heliosphere?

Measurements of starlight polarized by aligned interstellar dust grains are used to probe the relation between the orientation of the ambient interstellar magnetic field (ISMF) and the ISMF traced by the ribbons of energetic neutral atoms discovered by the Interstellar Boundary Explorer spacecraft. We utilize polarization data, many acquired specifically for this study, to trace the configuration of the ISMF within 40 pc. A statistical analysis yields a best-fit ISMF orientation, B magpol , aligned with Galactic coordinates ℓ = 42°, b = 49°. Further analysis shows the ISMF is more orderly for "downfield" stars located over 90° from Bmagpol. The data subset of downfield stars yields an orientation for the nearby ISMF at ecliptic coordinates λ, β ≈ 219° ± 15°, 43° ± 9° (Galactic coordinates l, b ≈ 40°, 56°, ±17°). This best-fit ISMF orientation from polarization data is close to the field direction obtained from ribbon models. This agreement suggests that the ISMF shaping the heliosphere belongs to an extended ordered magnetic field. Extended filamentary structures are found throughout the sky. A previously discovered filament traversing the heliosphere nose region, "Filament A," extends over 300° of the sky, and crosses the upwind direction of interstellar dust flowing into the heliosphere. Filament A overlaps the locations of the Voyager kilohertz emissions, three quasar intraday variables, cosmic microwave background (CMB) components, and the inflow direction of interstellar grains sampled by Ulysses and Galileo. These features are likely located in the upstream outer heliosheath where ISMF drapes over the heliosphere, suggesting Filament A coincides with a dusty magnetized plasma. A filament 55° long is aligned with a possible shock interface between local interstellar clouds. A dark spot in the CMB is seen within 5° of the filament and within 10° of the downfield ISMF direction. Two large magnetic arcs are centered on the directions of the heliotail. The overlap between CMB components and the aligned dust grains forming Filament A indicates the configuration of dust entrained in the ISMF interacting with the heliosphere provides a measurable foreground to the CMB.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

The Fermi-LAT Lightcurve Repository

The Fermi Large Area Telescope (LAT) lightcurve repository (LCR) is a publicly available, continually updated library of gamma-ray lightcurves of variable Fermi-LAT sources generated over multiple timescales. The Fermi-LAT LCR aims to provide publication-quality lightcurves binned on timescales of 3, 7, and 30 days for 1525 sources deemed variable in the source catalog of the first 10 yr of Fermi-LAT observations. The repository consists of lightcurves generated through full likelihood analyses that model the sources and the surrounding region, providing fluxes and photon indices for each time bin. The LCR is intended as a resource for the time-domain and multimessenger communities by allowing users to search LAT data quickly to identify correlated variability and flaring emission episodes from gamma-ray sources. We describe the sample selection and analysis employed by the LCR and provide an overview of the associated data access portal.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

Central Atlantic regional ecological test site: A prototype regional environmental information system

The author has identified the following significant results. A comparison of photomorphic regions from an uncontrolled ERTS-1 mosaic of CARETS to land use areas on a map published in the National Atlas revealed close correlations in non-urban regions. Such regional scale analysis of ERTS-1 data has the potential for providing an economical sampling strategy for selecting sites for more detailed field measurements if other environmental variables can be correlated with patterns on ERTS-1 imagery. ERTS-1 imagery has also revealed for the first time the appearance of CARETS during the winter months. Investigators have identified extensive areas of conifers, which have previously been indistinguishable from deciduous vegetation. Imagery has also shown very clearly the extent of snow cover at a particular time over the region. The evaluation of ERTS-1 imagery used for the land use mapping of the shore zone of CARETS, has shown that the presence or absence of elements of an hierarchal system of shoreline landforms can help identify areas of potential rapid change. Changes in land use class distributions on the Barrier Islands signify the environmental response to natural and man-caused processes. Both environmental vulnerability and sensitivity can be estimated from the repetitive ERTS-1 coverage of long reaches of the CARETS coast. Results indicate potential applications to land use planning, management, and regional environmental quality analysis.

Alexander, R. H.↗

NASA NTRS1975

Thermal loading in the laser holography nondestructive testing of a composite structure

A laser holographic interferometry method that has variable sensitivity to surface deformation was applied to the investigation of composite test samples under thermal loading. A successful attempt was made to detect debonds in a fiberglass-epoxy-ceramic plate. Experimental results are presented along with the mathematical analysis of the physical model of the thermal loading and current conduction in the composite material.

Liu, H. K.↗

NASA NTRS1974

Finite element solution theory for three-dimensional boundary flows

A finite element algorithm is derived for the numerical solution of a three-dimensional flow field described by a system of initial-valued, elliptic boundary value partial differential equations. The familiar three-dimensional boundary layer equations belong to this description when diffusional processes in only one coordinate direction are important. The finite element algorithm transforms the original description into large order systems of ordinary differential equations written for the dependent variables discretized at node points of an arbitrarily irregular computational lattice. The generalized elliptic boundary conditions is piecewise valid for each dependent variable on boundaries that need not explicitly coincide with coordinate surfaces. Solutions for sample problems in laminar and turbulent boundary flows illustrate favorable solution accuracy, convergence, and versatility.

Baker, A. J.↗

NASA NTRS1975

Remote sensing and urban public health

The applicability of remote sensing in the form of aerial photography to urban public health problems is examined. Environmental characteristics are analyzed to determine if health differences among areas could be predicted from the visual expression of remote sensing data. The analysis is carried out on a socioeconomic cross-sectional sample of census block groups. Six morbidity and mortality rates are the independent variables while environmental measures from aerial photographs and from the census constitute the two independent variable sets. It is found that environmental data collected by remote sensing are as good as census data in evaluating rates of health outcomes.

Rush, M.↗

NASA NTRS1976

Wheat signature modeling and analysis for improved training statistics

The author has identified the following significant results. The spectral, spatial, and temporal characteristics of wheat and other signatures in LANDSAT multispectral scanner data were examined through empirical analysis and simulation. Irrigation patterns varied widely within Kansas; 88 percent of wheat acreage in Finney was irrigated and 24 percent in Morton, as opposed to less than 3 percent for western 2/3's of the State. The irrigation practice was definitely correlated with the observed spectral response; wheat variety differences produced observable spectral differences due to leaf coloration and different dates of maturation. Between-field differences were generally greater than within-field differences, and boundary pixels produced spectral features distinct from those within field centers. Multiclass boundary pixels contributed much of the observed bias in proportion estimates. The variability between signatures obtained by different draws of training data decreased as the sample size became larger; also, the resulting signatures became more robust and the particular decision threshold value became less important.

Nalepka, R. F.↗

NASA NTRS1978

Deep sea tides determination from GEOS-3

GEOS 3 altimeter data in a 5 degree X 5 degree square centered at 30 deg N, 70 deg W were analyzed to evaluate deep sea tide determination from a spacecraft. The signal to noise ratio of known tidal variability to altimeter measurement of sea level above the ellipsoid was 0.1. A sample was obtained in a 5 deg x 5 deg area approximately once every four days. The randomly spaced time series was analyzed using two independent least squares techniques.

Maul, G. A.↗

NASA NTRS1981

Superflux chlorophyll-a analysis: An assessment of variability in results introduced prior to fluorometric analysis

Several experiments were undertaken to identify variability in results that came from procedural differences in the processing of chlorophyll samples prior to fluorometric analysis. T-tests on group means indicated that significant differences (alpha = 0.05) in phaeopigment a concentrations did result in samples not initially screened, but not in the chlorophyll a concentrations. Highly significant differences (alpha = 0.001) in group means were found in samples which were held in acetone after filtering as compared to unfiltered seawater samples held for the same period. No difference in results was found between the 24-hour extraction and samples which were processed immediately.

Cibik, S. J.↗