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DOE OSTI2020

Modeling Water Quality in Watersheds: From Here to the Next Generation

In this synthesis, we assess present research and anticipate future development needs in modeling water quality in watersheds. We first discuss areas of potential improvement in the representation of freshwater systems pertaining to water quality, including representation of environmental interfaces, in-stream water quality and process interactions, soil health and land management, and (peri-)urban areas. In addition, we provide insights into the contemporary challenges in the practices of watershed water quality modeling, including quality control of monitoring data, model parameterization and calibration, uncertainty management, scale mismatches and provisioning of modeling tools. Finally, we make three recommendations to provide a path forward for improving watershed water quality modeling science, infrastructure and practices. These include building stronger collaborations between experimentalists and modelers, bridging gaps between modelers and stakeholders, and cultivating and applying procedural knowledge to better govern and support water quality modeling processes within organizations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1991

Possible lunar ores

Despite the conventional wisdom that there are no lunar ores, geochemical considerations suggest that local concentrations of useful rare elements exist on the Moon in spite of its extreme dryness. The Moon underwent protracted igneous activity in its history, and certain magmatic processes can concentrate incompatible elements even if anhydrous. Such processes include: (1) separation of a magma into immiscible liquid phases (depending on composition, these could be silicate-silicate, silicate-oxide, silicate-sulfide, or silicate-salt); (2) cumulate deposits in layered igneous intrusions; and (3) concentrations of rare, refractory, lithophile elements (e.g., Be, Li, Zr) in highly differentiated, silica-rich magmas, as in the lunar granites. Terrestrial mining experience indicates that the single most important characteristic of a potential ore is its concentration of the desire element. The utility of a planet as a resource base is that the welter of interacting processes over geologic time can concentrate rare element automatically. This advantage is squandered if adequate exploration for ores is not first carried out.

Gillett, Stephen L.↗

NASA NTRS1993

Deep H alpha images of interacting galaxies

Gravitational interactions between galaxies are believed to increase star formation activity dramatically, and most of the brightest starburst galaxies show clear signs of recent interactions. However, it is still not known how interaction triggers star formation, nor are there models to relate the type or strength of interaction to the location or amount of star formation. We report on a series of deep H alpha images of interacting and post-interaction galaxies which we took with the purpose of finding the young stars and ionized gas in these objects. We were motivated in part by the hope that by studying the very recently formed stars we could see how the interaction process had affected the star formation. We observed the galaxies through 50 A-wide filters, one on the redshifted H alpha line and one off, and a standard R filter. Depending on the galaxy and conditions, images in the B, V, and I filters were also obtained. The images were recorded with a 4x7 ft. or 17 ft. diameter CCD at the 1-meter telescope of the Wise Observatory in Mitzpe Ramon. The H alpha and continuum images are used, together with observations at other wavelengths, to put together as complete a picture as possible of star formation and interactions in each galaxy. The complete observation set is not yet available for all the galaxies but certain results are already clear. There do not seem to be any correlations between H 1 and H alpha structures. In some H 1 plume galaxies H alpha extensions were seen on the other side of the galaxy from the H 1; in others extensive H alpha filaments have been found but not H 1. The preliminary results agree with the simplest model that interaction-induced star formation will be concentrated in the system center, since that is where the mass ends up.

Beck, S. C.↗

DOE OSTI2023

Panta Rhei benchmark dataset: socio-hydrological data of paired events of floods and droughts

As the adverse impacts of hydrological extremes increase in many regions of the world, a better understanding of the drivers of changes in risk and impacts is essential for effective flood and drought risk management and climate adaptation. However, there is currently a lack of comprehensive, empirical data about the processes, interactions, and feedbacks in complex human–water systems leading to flood and drought impacts. Here we present a benchmark dataset containing socio-hydrological data of paired events, i.e. two floods or two droughts that occurred in the same area. The 45 paired events occurred in 42 different study areas and cover a wide range of socio-economic and hydro-climatic conditions. The dataset is unique in covering both floods and droughts, in the number of cases assessed and in the quantity of socio-hydrological data. The benchmark dataset comprises (1) detailed review-style reports about the events and key processes between the two events of a pair; (2) the key data table containing variables that assess the indicators which characterize management shortcomings, hazard, exposure, vulnerability, and impacts of all events; and (3) a table of the indicators of change that indicate the differences between the first and second event of a pair. The advantages of the dataset are that it enables comparative analyses across all the paired events based on the indicators of change and allows for detailed context- and location-specific assessments based on the extensive data and reports of the individual study areas. The dataset can be used by the scientific community for exploratory data analyses, e.g. focused on causal links between risk management; changes in hazard, exposure and vulnerability; and flood or drought impacts. The data can also be used for the development, calibration, and validation of socio-hydrological models. The dataset is available to the public through the GFZ Data Services (Kreibich et al., 2023, https://doi.org/10.5880/GFZ.4.4.2023.001).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

LeptonInjector and LeptonWeighter: A neutrino event generator and weighter for neutrino observatories

In this work, we present a high-energy neutrino event generator, called LeptonInjector, alongside an event weighter, called LeptonWeighter. Both are designed for large-volume Cherenkov neutrino telescopes such as IceCube. The neutrino event generator allows for quick and flexible simulation of neutrino events within and around the detector volume, and implements the leading Standard Model neutrino interaction processes relevant for neutrino observatories: neutrino-nucleon deep-inelastic scattering and neutrino-electron annihilation. In this paper, we discuss the event generation algorithm, the weighting algorithm, and the main functions of the publicly available code, with examples. Program summary: Program Titles: LeptonInjector and LeptonWeighter CPC Library link to program files: https://doi.org/10.17632/662gkpjfd9.1 Developer's repository links: https://github.com/icecube/LeptonInjector and https://github.com/icecube/LeptonWeighter Licensing provisions: GNU Lesser General Public License, version 3. Programming Language: C++11 External Routines: • Boost • HDF5 • nuflux (https://github.com/icecube/nuflux) • nuSQuIDS (https://github.com/arguelles/nuSQuIDS) • Photospline (https://github.com/icecube/photospline) • SuiteSparse (https://github.com/DrTimothyAldenDavis/SuiteSparse) Nature of problem: LeptonInjector: Generate neutrino interaction events of all possible topologies and energies throughout and around a detector volume. LeptonWeighter: Reweight Monte Carlo events, generated by a set of LeptonInjector Generators, to any desired physical neutrino flux or cross section. Solution method: LeptonInjector: Projected ranges of generated leptons and the extent of the detector, in terms of column depth, are used to inject events in and around the detector volume. Event kinematics follow distributions provided in cross section files. LeptonWeighter: Event generation probabilities are calculated for each Generator, which are then combined into a generation weight and used to calculate an overall event weight.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1990

Observations of multiple nucleus galaxies

Disturbed galaxies with two nuclei display the final state of the interaction process of two galaxies (Kollatschny et al., 1986; Fricke and Kollatschny, 1989). A few of these double nucleus galaxies contain Seyfert nuclei. Making the assumption that the Seyfert galaxies Mkn 231 and Mkn 273 are galaxies in the final state of merging, having strong tidal arms but unresolved nuclei, one can estimate that 4 percent of all Seyfert galaxies are in the merging process. The luminosities of multiple nucleus Seyfert galaxies are extremely high in comparison to morphologically undisturbed Seyfert galaxies. In a table, mean values of the visual and blue luminosities and of the far-infrared and radio (6 cm) luminosities as well as the H alpha fluxes are listed for both classes are shown. In addition, the authors have separated Seyfert 1 and Seyfert 2 galaxies. In all cases the luminosities of double nucleus Seyfert galaxies are higher by a factor of more than two with respect to undisturbed Seyfert galaxies. This result might be explained by higher luminosities in the early phases of a Seyfert's life-under the assumption that the nonthermal activity is triggered by tidal interaction-and/or additional strong starburst phenomena. Due to strong nuclear absorption, the UV spectra of these Seyfert nuclei are unusually weak. Corresponding to the Seyfert survey, the authors obtained the H alpha and far infrared radiation (FIR) luminosities as well as the (0III)5007/H beta line ratios of a small sample of non-Seyfert nuclei in double nucleus galaxies. The direct image and the velocity field of the double starburst galaxy Mkn 788 (Kollatschny et al., 1986) are shown. The authors compared their measurements with those of normal interacting galaxies of Keel et al. (1985) and Bushouse (1987). The mean FIR luminosity per nucleus in multiple systems is the same as that of interacting galaxies. But the mean H alpha luminosities as well as the (OIII)/H beta line ratios are higher by a factor of 1.5-2 than those of normal interacting galaxies.

Kollatschny, W.↗

DOE OSTI2023

Explainability and human intervention in autonomous scanning probe microscopy

The broad adoption of machine learning (ML)-based autonomous experiments (AEs) in material characterization and synthesis requires strategies development for understanding and intervention in the experimental workflow. Here, we introduce and realize a post-experimental analysis strategy for deep kernel learning-based autonomous scanning probe microscopy. This approach yields real-time and post-experimental indicators for the progression of an active learning process interacting with an experimental system. We further illustrate how this approach can be applied to human-in-the-loop AEs, where human operators make high-level decisions at high latencies setting the policies for AEs, and the ML algorithm performs low-level, fast decisions. The proposed approach is universal and can be extended to other techniques and applications such as combinatorial library analysis.

47 OTHER INSTRUMENTATION↗

NASA NTRS1981

The damping of ocean surface waves by a monomolecular film measured by wave staffs and microwave radars

Open ocean and wave tank experiments were carried out with the aim of studying the damping of capillary and gravity waves by a monomolecular film. These films of biogenic origin influence air-sea interaction processes and thereby affect the use of remote sensing techniques in oceanography. Measurement was carried out by wave staffs, by a coherent X band microwave scatterometer mounted on a sea-based platform, and by an incoherent K band microwave scatterometer carried by an aircraft under moderate wind conditions. A wave attenuation of about 40-60% is observed in the frequency range between 3.2 and 16 Hz. Tank experiments show that a direct influence of oleyl alcohol surface films on wave damping is confined to frequencies equal to or greater than 2 Hz; a further indirect effect of films on the damping of ocean waves in the frequency range between 0.12 and 0.7 Hz (by modifying the wind input and wave-wave interaction mechanisms) is also indicated

Huehnerfuss, H.↗

NASA NTRS1977

Techniques for the creation of land use maps and tabulations from Landsat imagery

Methods for creating color thematic maps and land use tabulations, employing both Landsat imagery and computer image processing, are discussed. The system, the Multiple Input Land Use System (MILUS) has been tested in the metropolitan section of Dayton, Ohio. Training areas for land use were first digitized by coordinates and then transformed onto an image of white lines on a black background. This image was added to a Landsat image of the same area. Then multispectral classification was performed. A tape of digitized census tract boundaries was computer interfaced to yield an image of tract boundaries on a background registered to the thematic land-use map. Using a data management system, the data were then used to produce figures for the area and percent of land use in each tract. Future work is expected to convert most of the steps into interactive processing. This would greatly reduce the time needed to edit and register the data sets.

Angelici, G. L.↗

NASA NTRS2015

Superthermal Electron Magnetosphere-Ionosphere Coupling in the Diffuse Aurora in the Presence of ECH Waves

There are two main theories for the origin of the diffuse auroral electron precipitation: first, pitch angle scattering by electrostatic electron cyclotron harmonic (ECH) waves, and second, by whistler mode waves. Precipitating electrons initially injected from the plasma sheet to the loss cone via wave-particle interaction processes degrade in the atmosphere toward lower energies and produce secondary electrons via impact ionization of the neutral atmosphere. These secondary electrons can escape back to the magnetosphere, become trapped on closed magnetic field lines, and deposit their energy back to the inner magnetosphere. ECH and whistler mode waves can also move electrons in the opposite direction, from the loss cone into the trap zone, if the source of such electrons exists in conjugate ionospheres located at the same field lines as the trapped magnetospheric electron population. Such a situation exists in the simulation scenario of superthermal electron energy interplay in the region of diffuse aurora presented and discussed by Khazanov et al. (2014) and will be quantified in this paper by taking into account the interaction of secondary electrons with ECH waves.

Coupling↗

DOE OSTI2024

An Investigation of LES Wall Modeling for Rayleigh–Bénard Convection via Interpretable and Physics-Aware Feedforward Neural Networks with DNS

Abstract The traditional approach of using the Monin–Obukhov similarity theory (MOST) to model near-surface processes in large-eddy simulations (LESs) can lead to significant errors in natural convection. In this study, we propose an alternative approach based on feedforward neural networks (FNNs) trained on output from direct numerical simulation (DNS). To evaluate the performance, we conduct both a priori and a posteriori tests. In the a priori (offline) tests, we compare the statistics of the surface shear stress and heat flux, computed from filtered DNS input variables, to the stress and flux obtained from the filtered DNS. Additionally, we investigate the importance of various input features using the Shapley additive explanations value and the conditional average of the filter grid cells. In the a posteriori (online) tests, we implement the trained models in the System for Atmospheric Modeling (SAM) LES and compare the LES-generated surface shear stress and heat flux with those in the DNS. Our findings reveal that vertical velocity, a traditionally overlooked flow quantity, is one of the most important input features for determining the wall fluxes. Increasing the number of input features improves the a priori test results but does not always improve the model performance in the a posteriori tests because of the differences in input variables between the LES and DNS. Last, we show that physics-aware FNN models trained with logarithmic and scaled parameters can well extrapolate to more intense convection scenarios than in the training dataset, whereas those trained with primitive flow quantities cannot. Significance Statement The traditional near-surface turbulence model, based on a shear-dominated boundary layer flow, does not represent near-surface turbulence in natural convection. Using a feedforward neural network (FNN), we can construct a more accurate model that better represents the near-surface turbulence in various flows and reveals previously overlooked controlling factors and process interactions. Our study shows that the FNN-generated models outperform the traditional model and highlight the importance of the near-surface vertical velocity. Furthermore, the physics-aware FNN models exhibit the potential to extrapolate to convective flows of various intensities beyond the range of the training dataset, suggesting their broader applicability for more accurate modeling of near-surface turbulence.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2016

CubeSat Constellation Cloud Winds(C3Winds) A New Wind Observing System to Study Mesoscale Cloud Dynamics and Processes

The CubeSat Constellation Cloud Winds (C3Winds) is a NASA Earth Venture Instrument (EV-I) concept with the primary objective to better understand mesoscale dynamics and their structures in severe weather systems. With potential catastrophic damage and loss of life, strong extratropical and tropical cyclones (ETCs and TCs) have profound three-dimensional impacts on the atmospheric dynamic and thermodynamic structures, producing complex cloud precipitation patterns, strong low-level winds, extensive tropopause folds, and intense stratosphere-troposphere exchange. Employing a compact, stereo IR-visible imaging technique from two formation-flying CubeSats, C3Winds seeks to measure and map high-resolution (2 km) cloud motion vectors (CMVs) and cloud geometric height (CGH) accurately by tracking cloud features within 5-15 min. Complementary to lidar wind observations from space, the high-resolution wind fields from C3Winds will allow detailed investigations on strong low-level wind formation in an occluded ETC development, structural variations of TC inner-core rotation, and impacts of tropopause folding events on tropospheric ozone and air quality. Together with scatterometer ocean surface winds, C3Winds will provide a more comprehensive depiction of atmosphere-boundary-layer dynamics and interactive processes. Built upon mature imaging technologies and long history of stereoscopic remote sensing, C3Winds provides an innovative, cost-effective solution to global wind observations with potential of increased diurnal sampling via CubeSat constellation.

mesoscale dynamics↗

NASA NTRS2009

Exploring Divisibility and Summability of 'Photon' Wave Packets in Nonlinear Optical Phenomena

Formulations for second and higher harmonic frequency up and down conversions, as well as multi photon processes directly assume summability and divisibility of photons. Quantum mechanical (QM) interpretations are completely congruent with these assumptions. However, for linear optical phenomena (interference, diffraction, refraction, material dispersion, spectral dispersion, etc.), we have a profound dichotomy. Most optical engineers innovate and analyze all optical instruments by propagating pure classical electromagnetic (EM) fields using Maxwell s equations and gives only lip-service to the concept "indivisible light quanta". Further, irrespective of linearity or nonlinearity of the phenomena, the final results are always registered through some photo-electric or photo-chemical effects. This is mathematically well modeled by a quadratic action (energy absorption) relation. Since QM does not preclude divisibility or summability of photons in nonlinear & multi-photon effects, it cannot have any foundational reason against these same possibilities in linear optical phenomena. It implies that we must carefully revisit the fundamental roots behind all light-matter interaction processes and understand the common origin of "graininess" and "discreteness" of light energy.

Prasad, Narasimha↗

NASA NTRS2000

An Improved Elastic and Nonelastic Neutron Transport Algorithm for Space Radiation

A neutron transport algorithm including both elastic and nonelastic particle interaction processes for use in space radiation protection for arbitrary shield material is developed. The algorithm is based upon a multiple energy grouping and analysis of the straight-ahead Boltzmann equation by using a mean value theorem for integrals. The algorithm is then coupled to the Langley HZETRN code through a bidirectional neutron evaporation source term. Evaluation of the neutron fluence generated by the solar particle event of February 23, 1956, for an aluminum water shield-target configuration is then compared with MCNPX and LAHET Monte Carlo calculations for the same shield-target configuration. With the Monte Carlo calculation as a benchmark, the algorithm developed in this paper showed a great improvement in results over the unmodified HZETRN solution. In addition, a high-energy bidirectional neutron source based on a formula by Ranft showed even further improvement of the fluence results over previous results near the front of the water target where diffusion out the front surface is important. Effects of improved interaction cross sections are modest compared with the addition of the high-energy bidirectional source terms.

Clowdsley, Martha S.↗

NASA NTRS2002

Nuclear model calculations and their role in space radiation research

Proper assessments of spacecraft shielding requirements and concomitant estimates of risk to spacecraft crews from energetic space radiation requires accurate, quantitative methods of characterizing the compositional changes in these radiation fields as they pass through thick absorbers. These quantitative methods are also needed for characterizing accelerator beams used in space radiobiology studies. Because of the impracticality/impossibility of measuring these altered radiation fields inside critical internal body organs of biological test specimens and humans, computational methods rather than direct measurements must be used. Since composition changes in the fields arise from nuclear interaction processes (elastic, inelastic and breakup), knowledge of the appropriate cross sections and spectra must be available. Experiments alone cannot provide the necessary cross section and secondary particle (neutron and charged particle) spectral data because of the large number of nuclear species and wide range of energies involved in space radiation research. Hence, nuclear models are needed. In this paper current methods of predicting total and absorption cross sections and secondary particle (neutrons and ions) yields and spectra for space radiation protection analyses are reviewed. Model shortcomings are discussed and future needs presented. c2002 COSPAR. Published by Elsevier Science Ltd. All right reserved.

NASA Center JSC↗

NASA NTRS1994

On the dynamics of a shock-bubble interaction

We present a detailed numerical study of the interaction of a weak shock wave with an isolated cylindrical gas inhomogenity. Such interactions have been studied experimentally in an attempt to elucidate the mechanisms whereby shock waves propagating through random media enhance mixing. Our study concentrates on the early phases of the interaction process which are dominated by repeated refractions of acoustic fronts at the bubble interface. Specifically, we have reproduced two of the experiments performed by Haas and Sturtevant : M(sub s) = 1.22 planar shock wave, moving through air, impinges on a cylindrical bubble which contains either helium or Refrigerant 22. These flows are modelled using the two-dimensional, compressible Euler equations for a two component fluid (air-helium or air-Refrigerant 22). Although simulations of shock wave phenomena are now fairly commonplace, they are mostly restricted to single component flows. Unfortunately, multi-component extensions of successful single component schemes often suffer from spurious oscillations which are generated at material interfaces. Here we avoid such problems by employing a novel, nonconservative shock-capturing scheme. In addition, we have utilized a sophisticated adaptive mesh refinement algorithm which enables extremely high resolution simulations to be performed relatively cheaply. Thus we have been able to reproduce numerically all the intricate mechanisms that were observed experimentally (e.g., transitions from regular to irregular refraction, cusp formation and shock wave focusing, multi-shock and Mach shock structures, jet formation, etc.), and we can now present an updated description for the dynamics of a shock-bubble interaction.

Quirk, James J.↗

DOE OSTI2024

Aerosol size distribution properties associated with cold-air outbreaks in the Norwegian Arctic

The aerosol particles serving as cloud condensation and ice nuclei contribute to key cloud processes associated with cold-air outbreak (CAO) events but are poorly constrained in climate models due to sparse observations. Here we retrieve aerosol number size distribution modes from measurements at Andenes, Norway, during the Cold-Air Outbreaks in the Marine Boundary Layer Experiment (COMBLE) and at Zeppelin Observatory, approximately 1000 km upwind from Andenes at Svalbard. During CAO events at Andenes, the sea-spray-mode number concentration is correlated with strong over-ocean winds with a mean of 8±4 cm −3 that is 71 % higher than during non-CAO conditions. Additionally, during CAO events at Andenes, the mean Hoppel minimum diameter is 6 nm smaller than during non-CAO conditions, though the estimated supersaturation is lower, and the mean number concentration of particles that likely activated in-cloud is 109±61 cm −3 with no statistically significant difference from the non-CAO mean of 99±66 cm −3 . For CAO trajectories between Zeppelin Observatory and Andenes, the upwind-to-downwind change in number concentration is the largest for the accumulation mode with a mean decrease of 93±95 cm −3 , likely attributable primarily to precipitation scavenging. These characteristic properties of aerosol number size distributions during CAO events provide guidance for evaluating CAO aerosol–cloud interaction processes in models.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2024

Aerosol Size Distribution Properties Associated With Cold-Air Outbreaks in the Norwegian Arctic

The aerosol particles serving as cloud condensation and ice nuclei contribute to key cloud processes associated with cold-air outbreak (CAO) events but are poorly constrained in climate models due to sparse observations. Here we retrieve aerosol number size distribution modes from measurements at Andenes, Norway, during the Cold-Air Outbreaks in the Marine Boundary Layer Experiment (COMBLE) and at Zeppelin Observatory, approximately 1000 km upwind from Andenes at Svalbard. During CAO events at Andenes, the sea-spray-mode number concentration is correlated with strong over-ocean winds with a mean of 8±4 cm−3 that is 71 % higher than during non-CAO conditions. Additionally, during CAO events at Andenes, the mean Hoppel minimum diameter is 6 nm smaller than during non-CAO conditions, though the estimated supersaturation is lower, and the mean number concentration of particles that likely activated in-cloud is 109±61 cm−3 with no statistically significant difference from the non-CAO mean of 99±66 cm−3. For CAO trajectories between Zeppelin Observatory and Andenes, the upwind-to-downwind change in number concentration is the largest for the accumulation mode with a mean decrease of 93±95 cm−3, likely attributable primarily to precipitation scavenging. These characteristic properties of aerosol number size distributions during CAO events provide guidance for evaluating CAO aerosol–cloud interaction processes in models.

accumulation mode particle scavenging↗