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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 109 records · Page 6

Physics-embedded inverse analysis with algorithmic differentiation for the earth’s subsurface

Abstract Inverse analysis has been utilized to understand unknown underground geological properties by matching the observational data with simulators. To overcome the underconstrained nature of inverse problems and achieve good performance, an approach is presented with embedded physics and a technique known as algorithmic differentiation. We use a physics-embedded generative model, which takes statistically simple parameters as input and outputs subsurface properties (e.g., permeability or P-wave velocity), that embeds physical knowledge of the subsurface properties into inverse analysis and improves its performance. We tested the application of this approach on four geologic problems: two heterogeneous hydraulic conductivity fields, a hydraulic fracture network, and a seismic inversion for P-wave velocity. This physics-embedded inverse analysis approach consistently characterizes these geological problems accurately. Furthermore, the excellent performance in matching the observational data demonstrates the reliability of the proposed method. Moreover, the application of algorithmic differentiation makes this an easy and fast approach to inverse analysis when dealing with complicated geological structures.

54 ENVIRONMENTAL SCIENCES↗

NGEE Arctic Integrated Modeling (IM3): Improved snow-vegetation interaction

This data product represents the integration of new code capability for arctic tundra snow-vegetation-terrain interactions into the Energy Exascale Earth System Model (E3SM), through the E3SM Land Model (ELM) component. This code integration is the result of collaborative effort between the NGEE Arctic project and the E3SM project. The NGEE Arctic project developed a total of six Integrated Modeling (IM) modules informed by observations and experiments. New ELM capability represented by this data product (IM3) falls into three categories: 1) Downscaling from gridcell to topographic unit level when working through the existing coupler bypass code. 2) Four new parameters (taper, stocking, bendresist, and vegshape) have been added to ELM to allow for flexible definition of snow-vegetation interactions. 3) Vegshape and bendresist parameters are used to calculate the fraction of leaf area and/or stem area buried by snow for a given snow depth. This data record consists of a single document (pdf format) that describes the theoretical basis for the snow-vegetation-terrain interactions added to ELM, and describes the modifications made to the ELM code. The Methods section of this metadata record includes a link to the public E3SM code repository where the exact code modifications as integrated in E3SM can be accessed. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Thornton, Peter E [ORNL] (ORCID:0000000247595158)↗

Improving E3SM Land Model Photosynthesis Parameterization via Satellite SIF, Machine Learning, and Surrogate Modeling

The parameterization of key photosynthesis parameters is one of the key uncertain sources in modeling ecosystem gross primary productivity (GPP). Solar-induced chlorophyll fluorescence (SIF) offers a good proxy for GPP since it marks the actual process of photosynthesis; while machine learning (ML) provides a robust approach to model the GPP-SIF relationship. Here, we trained the boosted regressing tree (BRT) and the Random Forest ML models with Greenhouse Gases Observing Satellite SIF data and in situ GPP observations from 49 eddy covariance towers. These trained ML GPP-SIF models were fed into the Energy Exascale Earth System Model (E3SM) Land Model (ELM) to generate ELM-simulated global SIF estimates, which were then benchmarked against satellite SIF observations with a surrogate modeling approach. Our results indicated good modeling performance of the ML-based GPP-SIF relationship. The ELM model when fed with the ML GPP-SIF models also can well predict the spatial-temporal variations in SIF. We also found high model accuracy for the surrogate modeling. Model parameter sensitivity analysis suggested that the fraction of leaf nitrogen in RuBisCO (flnr) is the most sensitive parameter to the SIF; other sensitive parameters include the Ball-Berry stomatal conductance slope (mbbopt) and the vcmax entropy (vcmaxse). The posterior uncertainty in simulated GPP was greatly reduced after benchmarking, and the model produced improved spatial patterns of mean GPP relative to FLUXCOM GPP. Our integrated approach provides a new avenue for improving land models and using remote-sensing SIF, which can be further improved in the future with more ground- and satellite-based observations.

54 ENVIRONMENTAL SCIENCES↗

Development of Explainable, Knowledge-Guided AI Models to Enhance the E3SM Land Model Development and Uncertainty Quantification

Focal Area(s): (2)Predictive modeling using AI techniques and AI-derived model components; use of AI and other tools to design a prediction system comprising of a hierarchy of models. (3) Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge- guided AI. Science Challenge: The Energy Exascale Earth System Model (E3SM) is a fully coupled, state-of-the-science Earth system model that uses code optimized for DOE's advanced computers to address the most critical scientific questions facing our nation and society (Golaz et al., 2019). The E3SM Land model (ELM) is designed to understand how the changes in terrestrial land surfaces will interact with other Earth system components and has been used to understand hydrologic cycles, biogeophysics, and ecosystem dynamics. In spite of great successes, the ELM has several known issues that restrain rapid improvements. For example, the ELM uses equilibrium models to simulate dynamic land-climate interactions and it requires long model spin-up time to identify suitable initial conditions for transient simulations. The ELM lacks built-in uncertainty mechanisms that can improve the robustness of model predictions. The ELM is a holistic, deterministic model system with a rigid design, and in many situations, it is hard to modify the ELM system to incorporate new theory/hypothesis and new data across scales to address emerging science problems (such as predicting the impacts of water cycle extremes). In addition, The ELM is technically optimized for traditional CPU-centric computers and it cannot fully utilize the current and incoming leadership computers for model simulations and uncertainty quantification (UQ). The success of artificial intelligence (AI) has inspired scientists to use AI models to discover intrinsic features from simulation data (Chattopadhyay et al., 2020) and observational data (Reichstein et al., 2019) to gain further process understanding of Earth science problems. However, autonomous AI model training through deep learning usually requires a huge amount of annotated data. To overcome the limitations from the data and computing resources, knowledge-guided AI models are necessary where human-knowledge is ingested in model construction (Banino et al., 2018) and training process (Silver et al., 2016) for efficient learning. Herein, we present a new way that leverages the process understanding from the ELM to guide AI model development for the ELM enhancement and UQ. We hope this study can inspire further Earth and environmental system model developments and transformations.

54 ENVIRONMENTAL SCIENCES↗

Ocean Energy for Ocean Worlds

Energy systems generating power from ocean waves, currents, tides, and thermal and salinity gradients are being developed to power oceanographic instrumentation and autonomous vehicles in Earth’s oceans. Exploration missions enabled or extended with in-situ energy harvesting on Earth may be similar to those on extra-terrestrial ocean worlds including mapping, biogeochemical sampling, acoustic monitoring, search for building blocks of life, and physical oceanographic characterization. With the addition of ocean energy available at the point of observation, data can be collected on larger spatial and temporal scales, enabling more comprehensive missions on other worlds. Power resource characteristics (e.g. current speed, variability) will similarly need to be assessed. Earth and extra-terrestrial ocean missions share vast technical challenges including high expense, need for advanced autonomy, ability to survive in the harshest environments, and limited communications or opportunities for intervention. Marine energy systems may be the only option for in-situ generation in certain scenarios (e.g., under a thick layer of ice) or advantageous over onboard energy storage options that may interfere with the natural environment (e.g., radioisotope thermoelectric generators). This work provides an overview of existing marine energy technology pertaining to ocean observations, highlights emerging research and development and new funding and program initiatives, explores similarities in mission requirements between terrestrial and extra-terrestrial applications, and suggests innovation pathways towards enabling high-value ocean world exploration powered by ocean energy.

Cavagnaro, Robert J.↗

Important ice processes are missed by the Community Earth System Model (CESM) in Southern Ocean mixed–phase clouds: Bridging SOCRATES observations to model developments

Global climate models (GCMs) are challenged by difficulties in simulating cloud phase and cloud radiative effect over the Southern Ocean (SO). Some of the new generation GCMs predict too much liquid and too little ice in mixed-phase clouds. This misrepresentation of cloud phase in GCMs results in weaker negative cloud feedback over the SO and a higher climate sensitivity. Based on a model comparison with observational data obtained during the Southern Ocean Cloud Radiation and Aerosol Transport Experimental Study (SOCRATES), this study addresses a key uncertainty in the Community Earth System Model version 2 (CESM2) related to cloud phase, namely ice formation in pristine remote SO clouds. It is found that sea spray organic aerosols (SSOA) are the most important type of ice nucleating particles (INPs) over the SO with concentrations one order of magnitude higher than those of dust INPs based on measurements and CESM2 simulations. Secondary ice production (SIP) which includes riming splintering, rain droplet shattering, and ice-ice collisional fragmentation as implemented in CESM2 is the dominant ice production process in moderately cold clouds with cloud temperatures greater than –20°C. SIP enhances the in-cloud ice number concentrations (Ni) by 1-3 orders of magnitude and predicts more mixed-phase (with percentage occurrence increased from 15% to 21%), in better agreement with the observations. Finally, this study highlights the importance of accurately representing cloud phase over the pristine remote SO by considering the ice nucleation of SSOA and SIP processes, which are currently missing in most GCM cloud microphysics parameterizations.

54 ENVIRONMENTAL SCIENCES↗

Survey-wide asteroid discovery with a high-performance computing enabled non-linear digital tracking framework

Modern astronomical surveys detect asteroids by linking together their appearances across multiple images taken over time. This approach faces limitations in detecting faint asteroids and handling the computational complexity of trajectory linking. Here, we present a novel method that adapts “digital tracking” – traditionally used for short-term linear asteroid motion across images – to work with large-scale synoptic surveys such as the Vera Rubin Observatory Legacy Survey of Space and Time (Rubin/LSST). Our approach combines hundreds of sparse observations of individual asteroids across their non-linear orbital paths to enhance detection sensitivity by several magnitudes. To address the computational challenges of processing massive data sets and dense orbital phase spaces, we developed a specialized high-performance computing architecture. We demonstrate the effectiveness of our method through experiments that take advantage of the extensive computational resources at Lawrence Livermore National Laboratory. This work enables the detection of significantly fainter asteroids in existing and future survey data, potentially increasing the observable asteroid population by orders of magnitude across different orbital families, from near-Earth objects (NEOs) to Kuiper belt objects (KBOs).

Asteroid discovery↗

Facilitating better and faster simulations of aerosol-cloud interactions in Earth system models

Focal Area(s): 1. Predictive modeling through the use of AI techniques and AI-derived model components; the use of AI and other tools to design a prediction system comprising a hierarchy of models. 2. Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI. Science Challenge: One major challenge that Earth system models (ESMs) face in providing credible prediction of the Earth system and its water cycle characteristics (e.g., mean state, variability, and extreme events) is to accurately simulate aerosol-cloud interactions (ACI). The physical, chemical, and dynamical processes affecting ACI are extremely complex and they range from nanoscale to planetary scale. In each model development cycle, scientists spend significant efforts investigating model deficiencies and uncertainties associated with aerosols (e.g., emissions, chemical processes, aerosol microphysics, and transport) and clouds (e.g., macrophysics, microphysics, turbulence, and large-scale circulation) in order to develop improved treatments. However, despite decades of active research, ACI is still a major source of uncertainty in climate projections, even though great progress has been made. Specific scientific challenges include: (i) Parameterizations are developed based on limited data; (ii) The complexity of a parameterization required for accurate predictions is not understood; (iii) Incomplete and unknown physics leads to errors in the fully coupled Earth system; and (iv) Complex physics is computationally too expensive to employ in ESMs.

54 ENVIRONMENTAL SCIENCES↗

Cooperative Agreement To Analyze variabiLity, change and predictabilitY in the earth SysTem (CATALYST)

CATALYST proposes to perform foundational coordinated research in a team-oriented collaborative effort aimed at advancing a robust understanding of modes of Earth system variability and change using models, observations and process studies. The proposed research will address the DOE/BER mission by exploring the limits to predictability, identifying fundamental underlying mechanisms, quantifying interactions among modes of variability, and discovering tipping points in the Earth system to understand the current and future impacts of these phenomena on regional and global climate. Four fundamental gaps are identified in our knowledge of the Earth system: 1) What are the limits to predictability on various timescales? 2) What are the interactions among modes of Earth system variability? 3) How may modes of Earth system variability change in response to changes in external forcing, and what are the tipping points involved with those changes? 4) How are high impact events connected to modes of Earth system variability and how may they change in the future? Related to those gaps in our knowledge, we formulate four research objectives to address those gaps using a combination of Earth system models (ESMs) and machine learning (ML) methods. Research Objective 1 (RO1) addresses the first gap above and proposes to understand modes of variability and their limits of predictability on subseasonal to decadal timescales using ESMs and ML. Research Objective 2 (RO2) addresses the second gap and proposes to use a hierarchy of models to understand relevant processes and feedbacks related to how modes of variability interact with each other. Research Objective 3 (RO3) is designed to study the third gap and proposes to examine the role of external forcings in changes of modes of Earth system variability and their interactions, and the likelihood and predictability of tipping points and irreversible changes. Research Objective 4 (RO4) will address the fourth gap and proposes to use high resolution ESMs, regionally refined models (RRMs), and ML methods to investigate the relationships between high impact events (e.g. flash droughts and precipitation extremes, atmospheric rivers (ARs), tropical cyclones (TCs), storm surge/sea level rise), the synoptic systems that produce them, and their changes related to modes of Earth system variability. The research will involve the use of the Community Earth System Model (CESM), Energy Exascale Earth System Model (E3SM), CMIP multi-model data sets, a hierarchy of simpler models, and numerous observational data sets. In the course of the proposed research, CATALYST will contribute to metrics and diagnostics that will be integrated in Coordinated Model Evaluation Capabilities (CMEC), particularly with regards to the Quasi-biennial Oscillation (QBO) and its interactions with the Madden-Julian Oscillation (MJO), high atmospheric pressure blocking, and new precipitation metrics.

54 ENVIRONMENTAL SCIENCES↗

Semi-automated Design of Artificial Intelligence Earth Science Models

Prediction and observation of water cycles involve not only patterns isolated in space and time, but rather modeling complex spatio-temporal relationships across multiple sources of data and domains. For instance, Evapotranspiration (ET) and Leaf Area Indexes (LAI) are two critical components in DOE’s Energy Exascale Earth System Model (E3SM). Accurate assessments of ET and LAI are critical for understanding hydrological processes, deforestation, crop yield, and irrigation impacts. However, current ET estimates for global simulations are available at very coarse spatial resolution. They are usually derived from satellite data based on broad plant functional types (PFT), which fail to capture the fine-scale variations due to change in vegetation type across the globe. Within this context and in light of the data-model integration challenges highlighted in the EESSD Strategic Plan, the new era of AI model development for geosciences calls for data-driven methods that provide domain scientists with estimations of parameters such as PFT and LAI in an efficient, interpretable, and easy-to-operate manner.

Ambrozio Dias, Philipe↗

Unraveling the Complex Behavior of Mrk 421 with Simultaneous X-Ray and VHE Observations during an Extreme Flaring Activity in 2013 April

Here we report on a multiband variability and correlation study of the TeV blazar Mrk 421 during an exceptional flaring activity observed from 2013 April 11 to 19. The study uses, among others, data from GLAST-AGILE Support Program (GASP) of the Whole Earth Blazar Telescope (WEBT), Swift, Nuclear Spectroscopic Telescope Array (NuSTAR), Fermi Large Area Telescope, Very Energetic Radiation Imaging Telescope Array System (VERITAS), and Major Atmospheric Gamma Imaging Cherenkov (MAGIC). The large blazar activity and the 43 hr of simultaneous NuSTAR and MAGIC/VERITAS observations permitted variability studies on 15 minute time bins over three X-ray bands (3–7 keV, 7–30 keV, and 30–80 keV) and three very-high-energy (VHE; >0.1 TeV) gamma-ray bands (0.2–0.4 TeV, 0.4–0.8 TeV, and >0.8 TeV). We detected substantial flux variations on multi-hour and sub-hour timescales in all of the X-ray and VHE gamma-ray bands. The characteristics of the sub-hour flux variations are essentially energy independent, while the multi-hour flux variations can have a strong dependence on the energy of the X-rays and the VHE gamma-rays. The three VHE bands and the three X-ray bands are positively correlated with no time lag, but the strength and characteristics of the correlation change substantially over time and across energy bands. Our findings favor multi-zone scenarios for explaining the achromatic/chromatic variability of the fast/slow components of the light curves, as well as the changes in the flux–flux correlation on day-long timescales. We interpret these results within a magnetic reconnection scenario, where the multi-hour flux variations are dominated by the combined emission from various plasmoids of different sizes and velocities, while the sub-hour flux variations are dominated by the emission from a single small plasmoid moving across the magnetic reconnection layer.

79 ASTRONOMY AND ASTROPHYSICS↗

High-energy neutrino constraints on primordial black holes as dark matter

Primordial black holes (PBHs) are one of the most appealing dark matter candidates over a wide range of masses and abundances. This broad parameter space has been constrained by a variety of observational probes. In this work, for the first time, we use data from high-energy neutrino telescopes, like IceCube and ANTARES, to constrain sub-asteroid mass ($\lesssim 10^{18}\,\mathrm{g}$) Schwarzschild PBHs with extended mass functions. We derive limits from the diffuse high-energy neutrino flux produced by the direct evaporation of PBHs, as well as from the transient signatures associated with PBHs passing in the vicinity of the Earth. While our bounds are slightly weaker than existing constraints from gamma-ray observations, they provide an independent and complementary probe based on observational high-energy neutrino data. We further show that future detectors such as IceCube-Gen2 and KM3NeT can significantly improve these constraints, potentially excluding PBHs with masses up to $\sim \mathrm{few} \times 10^{18}\,\mathrm{g}$ composing the entirety of dark matter.

Mukhopadhyay, Mainak [Fermilab; Chicago U., KICP] ↗

How numerical tracers and water isotope ratios help us better understand the hydrological cycle and its representation in Earth system models [Slides]

Outline: Water isotope ratios and fractionation; Isotope tracers in Earth system models; Generalized "process-oriented" water tracers in Earth system models; Opportunities in E3SM. Water isotope ratio data are rapidly becoming more available, providing a critical link between models and observations, as well as providing new opportunities to improve process representations (e.g., T/ET partitioning, cloud processes, partitioning of streamflow, coastal or urban impacts on hydrology, etc.)

54 ENVIRONMENTAL SCIENCES↗

Pillars of Cloud-Based Earth Observation Science Education

Earth observation (EO) is undergoing a paradigm shift with the development of cloud-based analytical platforms supporting EO data collection and access, parallel processing, easier communication of results, and expanded accessibility. As the global community of users and the diversity of applications grow, there is a clear need for expanded educational capacity to leverage these developments and increase the impact of EO research and teaching. Drawing upon extensive conversations between educators, practitioners, and researchers, we propose three pillars that must be prioritized to prepare students, researchers, and professionals to take full advantage of the cloud-based EO paradigm and guide future growth.

97 MATHEMATICS AND COMPUTING↗

Demography, dynamics and data: building confidence for simulating changes in the world's forests

Vegetation demographic models (VDMs) are advanced tools for simulating forest responses to climate and land-use changes, and are essential for projecting carbon cycling and large-scale forest management strategies. Despite their increasing incorporation into Earth System Models, VDMs differ in their demographic assumptions, with no prior quantitative comparison of their performance. We benchmarked nine VDMs against observational data from boreal, temperate and tropical sites, assessing their accuracy in predicting tree growth, carbon turnover, biomass stocks and size distributions. Models were simulated under consistent climate conditions with postdisturbance recovery monitored for at least 420 yr. Postdisturbance carbon recovery trajectories showed significant variability while remaining within observational ranges. Initial regrowth rates varied substantially (0.03-0.60, 0.18-0.70 and 0.35-1.10 kgCm-2 yr-1 for boreal, temperate and tropical sites, respectively), influenced by each model's initial forest state. Models captured mature forest carbon content but showed compensating effects between overestimated growth and underestimated mortality rates. This first multi-model benchmarking identifies growth and mortality rates as critical calibration targets and highlights the need to refine postdisturbance establishment conditions for model development. We outline specific benchmarking variables needed to improve predictions of forest responses to environmental change.

demographic vegetation model benchmarking↗

The Usage of Observing System Simulation Experiments and Reinforcement Learning to Optimize Experimental Design and Operation

Various organizations regularly conduct field campaigns across the globe designed to probe and improve atmospheric process understanding. However, these campaigns are mostly designed ad-hoc, and rely on anecdotes and knowledge of what was successful in previous campaigns. Such ad-hoc experiment design results in sub-optimal instrument siting and operation strategies. Inadequate targeted data collection of extreme weather is a major limitation to Earth and Environmental Systems Science Division (EESSD)’s goals of data model integration (4.5.3), which limits the knowledge gained through the collected observations, holding back significant advances in predictability. While advances in instrument design are always chipping away at these limitations, we are not optimally utilizing the instrumentation we currently possess.

54 ENVIRONMENTAL SCIENCES↗

Automated Integration of Continental-Scale Observations in Near-Real Time for Simulation and Analysis of Biosphere–Atmosphere Interactions

The National Ecological Observatory Network (NEON) is a continental-scale observatory with sites across the US collecting standardized ecological observations that will operate for multiple decades. To maximize the utility of NEON data, we envision edge computing systems that gather, calibrate, aggregate, and ingest measurements in an integrated fashion. Edge systems will employ machine learning methods to cross-calibrate, gap-fill and provision data in near-real time to the NEON Data Portal and to High Performance Computing (HPC) systems, running ensembles of Earth system models (ESMs) that assimilate the data. For the first time gridded EC data products and response functions promise to offset pervasive observational biases through evaluating, benchmarking, optimizing parameters, and training new machine learning parameterizations within ESMs all at the same model-grid scale. Leveraging open-source software for EC data analysis, we are already building software infrastructure for integration of near-real time data streams into the International Land Model Benchmarking (ILAMB) package for use by the wider research community. We will present a perspective on the design and integration of end-to-end infrastructure for data acquisition, edge computing, HPC simulation, analysis, and validation, where Artificial Intelligence (AI) approaches are used throughout the distributed workflow to improve accuracy and computational performance.

Durden, David J.↗

SCILLA Scanning Electrical Mobility Spectrometer (SEMS) airborne data

The Scanning Electrical Mobility Spectrometer (SEMS) provides measurements of bulk aerosol size distributions, which are crucial for studying aerosol-cloud interactions. The instrument sampled through two different inlets: an isokinetic inlet and a counter-flow virtual impactor (CVI) inlet. Data were collected to help improve climate and earth systems models, characterize atmospheric conditions, and validate satellite observations and climate simulations.

Scanning Electrical Mobility Spectrometer↗