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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Advancing earth system model calibration: a diffusion-based method

Understanding of climate impact on ecosystems globally requires site-specific model calibration. Here we introduce a novel diffusion-based uncertainty quantification (DBUQ) method for efficient model calibration. DBUQ is a score-based diffusion model that leverages Monte Carlo simulation to estimate the score function and evaluates a simple neural network to quickly generate samples for approximating parameter posterior distributions. DBUQ is stable, efficient, and can effectively calibrate the model given diverse observations, thereby enabling rapid and site-specific model calibration on a global scale. This capability significantly advances Earth system modeling and our understanding of climate impacts on Earth systems. We demonstrate DBUQ's capability in E3SM land model calibration at the Missouri Ozark AmeriFlux forest site. Both synthetic and real-data applications indicate that DBUQ produces accurate parameter posterior distributions similar to those generated by Markov Chain Monte Carlo sampling but with 30X less computing time. This efficiency marks a significant stride in model calibration, paving the way for more effective and timely climate impact analyses.

Liu, Yanfang↗
DOE OSTI2021

FAIR data infrastructure and tools for AI-assisted streamflow prediction

Focal Area(s) Areas: We discuss how the integration of AI into Earth Science models can impact streamflow predictions at both the science and data levels. Doing so, we address cross-cutting needs related to the goal of making data FAIR (Findable, Accessible, Interoperable, and Re-usable [1]) for seamless use with Artificial Intelligence/Machine Learning (AI/ML) in Earth System Science at DOE. A novel idea is that AI/ML itself can help with the FAIR data goal and address issues in targeted areas e.g. missing data, data quality and reduction. In addition, the interpretability of results obtained with new AI methods is poised to impact broader scientific challenges in hydrology..

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Influence of Rare-Earth Ion Radius on Metal–Metal Charge Transfer in Trinuclear Mixed-Valent Complexes

We report the synthesis and characterization of a highly conjugated bisferrocenyl pyrrolediimine ligand, Fc 2 PyrDIH (1), and its trinuclear complexes with rare earth ions—(Fc 2 PyrDI)M(N(TMS) 2 ) 2 (2-M, M = Sc, Y, Lu, La). Crystal structures, NMR spectra, and UV/Vis-NIR data are presented. The latter are in good agreement with DFT calculations, illuminating the impact of the rare earth ionic radius on NIR charge transfer excitations. For [2-Sc] + , the charge transfer is at 11500 cm -1 , while for [2-Y] + only a d-d transition at 8000 cm -1 is observed. Lu has an ionic radius in between Sc and Y, and the [2-Lu] + complex exhibits both transitions. From TDDFT analysis we assign the 11500 cm -1 transition as a mixture of MLCT and MMCT, rather than pure metal-to-metal CT, because it has significant ligand character. Typically, the ferrocenes have high rotational freedom in bis-ferrocenyl mixed valent complexes. However, in the present (Fc 2 PyrDI)M(N(TMS) 2 ) 2 complexes, ligand-ligand repulsions lock the rotational freedom, so that rare earth ionic radius-dependent geometric differences increasingly influence orbital overlap as the ionic radius falls. The Marcus-Hush coupling constant HAB trends as: [2-Sc] + >[2-Lu] + >[2-Y] +

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Linking impact melt redox with crustal weathering regime

Abstract Impact melting and outgassing of impact melts were important processes shaping the crust and atmosphere of early Earth and Mars. The redox state of impact melts influences the gases they release, but the controls on impact melt redox are not well understood. Here, we present Fe micro–X-ray absorption near edge structure (μ-XANES) measurements of a suite of impact melt glasses from Lonar crater, India. As an impact into continental flood basalts, Lonar crater is an ideal analog for impacts into basaltic crust on early Earth and Mars. The Fe-μ-XANES technique permits robust characterization of the Fe3+/ΣFe ratio and therefore redox conditions in Lonar glasses. We found a range in Fe3+/ΣFe of 0.21–0.49 among Lonar glasses, including substantial intraclast variations. We conclude that a primary factor driving these variations was pre-impact oxidative weathering of target rocks. The coupling between crustal weathering regime and speciation of gases released from impact melts implies that impact melt outgassing could act as a feedback mechanism to reinforce prevailing surface redox conditions.

Geology↗
DOE OSTI2022

Global Dust Cycle and Direct Radiative Effect in E3SM Version 1: Impact of Increasing Model Resolution

Quantification of dust aerosols in Earth System Models (ESMs) has important implications for water cycle and biogeochemistry studies. This study examines the global life cycle and direct radiative effects (DREs) of dust in the U.S. Department of Energy's Energy Exascale Earth System Model version 1 (E3SMv1), and the impact of increasing model resolution both horizontally and vertically. The default 1° E3SMv1 captures the spatial and temporal variability in the observed dust aerosol optical depth (DAOD) reasonably well, but overpredicts dust absorption in the shortwave (SW). Simulations underestimate the dust vertical and long-range transport, compared with the satellite dust extinction profiles. After updating dust refractive indices and correcting for a bias in partitioning size-segregated emissions, both SW cooling and longwave (LW) warming of dust simulated by E3SMv1 are increased and agree better with other recent studies. The estimated net dust DRE of –0.42 Wm –2 represents a stronger cooling effect than the observationally based estimate –0.2 Wm –2 (–0.48 to +0.2), due to a smaller LW warming. Constrained by a global mean DAOD, model sensitivity studies of increasing horizontal and vertical resolution show strong influences on the simulated global dust burden and lifetime primarily through the change of dust dry deposition rate; there are also remarkable differences in simulated spatial distributions of DAOD, DRE, and deposition fluxes. Thus, constraining the global DAOD is insufficient for accurate representation of dust climate effects, especially in transitioning to higher- or variable-resolution ESMs. Better observational constraints of dust vertical profiles, dry deposition, size, and LW properties are needed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Assessing the sensitivity of aerosol mass budget and effective radiative forcing to horizontal grid spacing in E3SMv1 using a regional refinement approach

Abstract. Atmospheric aerosols have important impacts on air quality and the Earth–atmospheric energy balance. However, as computing power is limited, Earth system models generally use coarse spatial grids and parameterize finer-scale atmospheric processes. These parameterizations and the simulation of atmospheric aerosols are often sensitive to model horizontal resolutions. Understanding the sensitivities is necessary for the development of Earth system models at higher resolutions with the deployment of more powerful supercomputers. Using the Energy Exascale Earth System Model (E3SM) version 1, this study investigates the impact of horizontal grid spacing on the simulated aerosol mass budget, aerosol–cloud interactions, and the effective radiative forcing of anthropogenic aerosols (ERFaer) over the contiguous United States. We examine the resolution sensitivity by comparing the nudged simulation results for 2016 from the low-resolution model (LR) and the regional refinement model (RRM). As expected, the simulated emissions of natural dust, sea salt, and marine organic matter are substantially higher in the RRM than in the LR. In addition, RRM simulates stronger aqueous-phase production of sulfate through the enhanced oxidation of sulfur dioxide by hydrogen peroxide due to increased cloud liquid water content. In contrast, the gas-phase chemical production of sulfate is slightly suppressed. The RRM resolves more large-scale precipitation and produces less convective precipitation than the LR, leading to increased (decreased) aerosol wet scavenging by large-scale (convective) precipitation. Regarding aerosol effects on clouds, RRM produces larger temporal variabilities in the large-scale liquid cloud fractions than LR, resulting in increased microphysical cloud processing of aerosols (more interstitial aerosols are converted to cloud-borne aerosols via aerosol activation) in RRM. Water vapor condensation is also enhanced in RRM compared to LR. Consequently, the RRM simulation produces more cloud droplets, a larger cloud droplet radius, a higher liquid water path, and a larger cloud optical depth than the LR simulation. A comparison of the present-day and pre-industrial simulations indicates that, for this contiguous United States domain, the higher-resolution increases ERFaer at the top of the model by about 12 %, which is mainly attributed to the strengthened indirect effect associated with aerosol–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Quantifying the Influence of Jupiter on the Earth’s Orbital Cycles

A wealth of Earth-sized exoplanets will be discovered in the coming years, providing a large pool of candidates from which the targets for the search for life beyond the solar system will be chosen. The target selection process will require the leveraging of all available information in order to maximize the robustness of the target list and make the most productive use of follow-up resources. Here, we present the results of a suite of n-body simulations that demonstrate the degree to which the orbital architecture of the solar system impacts the variability of Earth’s orbital elements. By varying the orbit of Jupiter and keeping the initial orbits of the other planets constant, we demonstrate how subtle changes in solar system architecture could alter the Earth’s orbital evolution—a key factor in the Milankovitch cycles that alter the amount and distribution of solar insolation, thereby driving periodic climate change on our planet. The amplitudes and frequencies of Earth’s modern orbital cycles fall in the middle of the range seen in our runs for all parameters considered—neither unusually fast nor slow, neither large nor small. This finding runs counter to the “Rare Earth” hypothesis, which suggests that conditions on Earth are so unusual that life elsewhere is essentially impossible. Our results highlight how dynamical simulations of newly discovered exoplanetary systems could be used as an additional means to assess the potential targets of biosignature searches, and thereby help focus the search for life to the most promising targets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Force Reconstruction Using the Inverse of the Mode-Shape Matrix [Book Chapter]

A new technique for force reconstruction is developed. To estimate the externally applied force, this technique sums the weight-scaled acceleration signals, and is referred to as the Sum of Weighted Accelerations Technique (SWAT). To obtain the scalar weights the inverse of the mode shape matrix is used. Application of this technique is illustrated with both numerical calculations using a mass-spring model and experimental data from a structure impacting a rigid barrier.

055001 -- Nuclear Fuels-- Safeguards, Inspection, ↗
DOE OSTI2023

Isolating the effect of biomass burning aerosol emissions on 20th century hydroclimate in South America and Southeast Asia

Abstract Biomass burning is a significant source of aerosol emissions in some regions and has a considerable impact on regional climate. Earth system model simulations indicate that increased biomass burning aerosol emissions contributed to statistically significant decreases in tropical precipitation over the 20th century. In this study, we use the Community Earth System Model version 1 Large Ensemble (CESM1-LENS) experiment to evaluate the mechanisms by which biomass burning aerosol contributed to decreased tropical precipitation, with a focus on South America and Southeast Asia. We analyze the all-but-one forcing simulations in which biomass burning aerosol emissions are held constant while other forcings (e.g., greenhouse gas concentrations) vary throughout the 20th century. This allows us to isolate the influence of biomass burning aerosol on processes that contribute to decreasing precipitation, including cloud microphysics, the radiative effects of absorbing aerosol particles, and alterations in regional circulation. We also show that the 20th century reduction in precipitation identified in the CESM1-LENS historical and biomass burning experiments is consistent across Coupled Model Intercomparison Project Phase 5 models with interactive aerosol schemes and the CESM2 single-forcing experiment. Our results demonstrate that higher concentrations of biomass burning aerosol increases the quantity of cloud condensation nuclei and cloud droplets, limiting cloud droplet size and precipitation formation. Additionally, absorbing aerosols (e.g., black carbon) contribute to a warmer cloud layer, which promotes cloud evaporation, increases atmospheric stability, and alters regional circulation patterns. Corresponding convectively coupled circulation responses, particularly over the tropical Andes, contribute to further reducing the flow of moisture and moisture convergence over tropical land. These results elucidate the processes that affect the water cycle in regions prone to biomass burning and inform our understanding of how future changes in aerosol emissions may impact tropical precipitation over the 21st century.

Environmental Sciences & Ecology↗
DOE OSTI2021

Late-time small body disruptions for planetary defense

Here, diverting hazardous small bodies on impact trajectories with the Earth can in some circumstances be impossible without risking disrupting them. Disruption is a much more difficult planetary defense scenario to assess, being linked both to the response of the body to shock loading and the much more complicated gravitational dynamics of the fragments in the solar system relative to pure deflection scenarios. In this work we present a new simulation suite built on N-body gravitational methods that solves fragment orbits in the full gravitational system without recourse to more approximate methods. We assess the accuracy of our simulations and the simplifying assumptions we adopt to make the system tractable, and then discuss in more detail several specific, plausible planetary defense scenarios based on real close encounters. We find that disruption can be a very effective planetary defense strategy even for very late (sub-year) interventions, and should be considered an effective backup strategy should preferred methods, which require long warning times, fail.

42 ENGINEERING↗
DOE OSTI2020

Microanalysis of Primary Biological Particles from Model Grass over Its Life Cycle

Airborne biological aerosols are an integral part of the atmosphere–biosphere interface and significantly impact the environment and Earth’s climate. Primary biological particles such as fungal spores, bacteria, and fragments of plant debris are emitted directly from the biosphere into the atmosphere. The phyllosphere (aboveground plant surfaces) is one of the major habitats for different microbes. Here, atmospheric emissions of primary biological particles from model grass Brachypodium distachyon were monitored by online particle number concentration counting at eight principal growth stages starting from leaf development to senescence. Particles collected at each of the growth stages were then characterized using microspectroscopy techniques. Our findings indicate that the morphological and compositional characteristics of emitted biological particles are highly variable at the different growth stages. We identified fungal spores as the most abundant biological particles in the heading stage, while bacteria were most abundant in the flowering and fruit development stages. Understanding differences in the composition and morphology of biological particles during the plant life cycle provides more accurate and reliable insights on structural, functional, and biochemical properties of plant systems, as well as their interactions with microbial communities. This study also provides insights into Earth geoscience system models that represent primary biological particle emissions from the biosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A perspective on the pathway to a scalable quantum internet using rare-earth ions

The ultimate realization of a global quantum internet will require advances in scalable technologies capable of generating, storing, and manipulating quantum information. The essential devices that will perform these tasks in a quantum network are quantum repeaters, which will enable the long-range distribution of entanglement between distant network nodes. Here, in this review, we provide an overview of the primary functions of a quantum repeater and discuss progress that has been made toward the development of repeaters with rare-earth ion doped materials while noting challenges that are being faced as the technologies mature. We give particular attention to erbium, which is well suited for networking applications. Finally, we provide a discussion of near-term benchmarks that can further guide rare-earth ion platforms for impact in near-term quantum networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Complex magnetic properties in the mixed 4 f - 5 d double perovskite iridates X 2 ZnIrO 6 ( X = Nd , Sm , Eu , Gd )

Here in this paper, we report on the synthesis and magnetic properties of a series of double perovskites Ln 2 ZnIrO 6 with Ln = Nd, Sm, Eu, Gd. These compounds present examples of the rare case of double perovskites (general formula A 2 BB'O6) with a magnetic 4ƒ-ion on the A site in combination with the strongly spin-orbit coupled 5d transition-metal ion Ir 4+ on the B sublattice. We discuss the impact of different rare earths on the macroscopic magnetic properties. Gd 2 ZnIrO 6 and Eu 2 ZnIrO 6 show ferrimagnetic or canted antiferromagnetic order below T N = 23 and 12 K, respectively. Sm 2 ZnIrO 6 orders antiferromagnetically at T N = 13 K. Nd 2 ZnIrO 6 exhibits more complex magnetic properties with a strong field dependence ranging from a two-step spin reorientation at μ 0 H = 0.01 T to an antiferromagnetic ground state at intermediate external fields to a spin-flop phase for 0H ≥ 4 T. This unique behavior suggests an interesting interplay between Nd 3+ and Ir 4+ . To further shed light on the relevant magnetic interaction, the zero-field magnetic ground state of Nd 2 ZnIrO 6 is examined via neutron powder diffraction. In general, the magnetic properties of Ln 2 ZnIrO 6 hint towards a substantial contribution of the rare-earth ions and a significant correlation between 5d and 4ƒ magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The future of Earth system prediction: Advances in model-data fusion

Predictions of the Earth system, such as weather forecasts and climate projections, require models informed by observations at many levels. Some methods for integrating models and observations are very systematic and comprehensive (e.g., data assimilation), and some are single purpose and customized (e.g., for model validation). We review current methods and best practices for integrating models and observations. We highlight how future developments can enable advanced heterogeneous observation networks and models to improve predictions of the Earth system (including atmosphere, land surface, oceans, cryosphere, and chemistry) across scales from weather to climate. As the community pushes to develop the next generation of models and data systems, there is a need to take a more holistic, integrated, and coordinated approach to models, observations, and their uncertainties to maximize the benefit for Earth system prediction and impacts on society.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Pervasive shifts in forest dynamics in a changing world

Forest dynamics arise from the interplay of environmental drivers and disturbances with the demographic processes of recruitment, growth, and mortality, subsequently driving biomass and species composition. However, forest disturbances and subsequent recovery are shifting with global changes in climate and land use, altering these dynamics. Changes in environmental drivers, land use, and disturbance regimes are forcing forests toward younger, shorter stands. Rising carbon dioxide, acclimation, adaptation, and migration can influence these impacts. Recent developments in Earth system models support increasingly realistic simulations of vegetation dynamics. In parallel, emerging remote sensing datasets promise qualitatively new and more abundant data on the underlying processes and consequences for vegetation structure. In combination, these advances hold promise for improving the scientific understanding of changes in vegetation demographics and disturbances.

54 ENVIRONMENTAL SCIENCES↗