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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 343 records · Page 19

Predicting Frigid Mixed-Phase Clouds for Pristine Coastal Antarctica

Supercooled water is common in the clouds near coastal Antarctica and occasionally occurs at temperatures at or below -30°C. Yet the ice physics in most regional and global numerical models will glaciate out these clouds. This presents a challenge for the simulation of highly supercooled clouds that were observed at McMurdo, Antarctica during the Atmospheric Radiation Measurement (ARM) West Antarctic Radiation Experiment (AWARE) project during 2015–2017. The polar optimized version of the Weather Research and Forecasting model (Polar WRF) with the recently developed two-moment P3 microphysics scheme was used to simulate observed supercooled liquid water cases during March and November 2016. Nudging of the simulations to observed rawinsonde profiles and Antarctic automatic weather station observations provided increased realism and much greater cloud water amounts. Furthermore, sensitivity tests that adjust the ice physics for extremely low ice nucleating particle (INP) concentrations decrease cloud ice and increases the cloud liquid water closer to observed amounts. In these tests, a liquid layer near cloud top is simulated, in agreement with observations. Accurate representation of INP concentrations appears to be critical for the simulation of coastal Antarctic clouds.

54 ENVIRONMENTAL SCIENCES↗

Characterizing Wet Season Precipitation in the Central Amazon Using a Mesoscale Convective System Tracking Algorithm

To comprehensively characterize convective precipitation in the central Amazon region, we utilize the Python FLEXible object TRacKeR (PyFLEXTRKR) to track mesoscale convective systems (MCSs) observed through satellite measurements and simulated by the Weather Research and Forecasting model at a convection-permitting resolution. This study spans a 2-month period during the wet seasons of 2014 and 2015. We observe a strong correlation between the MCS track density and accumulated precipitation in the Amazon basin. Key factors contributing to precipitation, such as MCS properties (number, size, rainfall intensity, and movement), are thoroughly examined. Our analysis reveals that while the overall model produces fewer MCSs with smaller mean sizes compared to observations, it tends to overpredict total precipitation due to excessive rainfall intensity for heavy rainfall events (≥10 mm hr –1 ). These biases in simulated MCS properties could vary with the constraints on the convective background environment. Moreover, while the wet bias from heavy (convective) rainfall outweighs the dry bias in light (stratiform) rainfall, the latter can be crucial, particularly when MCS cloud cover is significantly underestimated. A case study for 1 April 2014 highlights the influence of environmental conditions on the MCS lifecycle and identifies an unrealistic model representation in both stratiform and convective precipitation features.

54 ENVIRONMENTAL SCIENCES↗

Optimal Experimental Design for Inverse Problems in the Presence of Observation Correlations

Optimal experimental design (OED) is the general formalism of sensor placement and decisions on the data collection strategy for engineered or natural experiments. This problem is prevalent in many critical fields such as battery design, numerical weather prediction, geosciences, environmental and urban studies. State-of-the-art computational methods for experimental design do not accommodate correlation structure in observational errors produced by many expensive-to-operate devices such as X-ray machines, radars, and satellites. Discarding evident data correlations leads to biased results, higher expenses, and waste of valuable resources. We present a general formulation of the OED formalism for model-constrained large-scale Bayesian linear inverse problems, where measurement errors are generally correlated. The proposed approach utilizes the Hadamard product of matrices to formulate the weighted-likelihood, and is valid for both finite as well as infinite-dimensional Bayesian inverse problems. Extensive numerical experiments are carried out for empirical verification of the proposed approach using an advection-diffusion model, where the objective is to optimally place a small set of sensors, under a limited budget, to predict the concentration of a contaminant in a closed and bounded domain.

Correlated observations↗

Real-Time Bayesian Inference at Extreme Scale: A Digital Twin for Tsunami Early Warning Applied to the Cascadia Subduction Zone

We present a Bayesian inversion-based digital twin that employs acoustic pressure data from seafloor sensors, along with 3D coupled acoustic–gravity wave equations, to infer earthquake-induced spatiotemporal seafloor motion in real time and forecast tsunami propagation toward coastlines for early warning with quantified uncertainties. Our target is the Cascadia subduction zone, with one billion parameters. Computing the posterior mean alone would require 50 years on a 512 GPU machine. Instead, exploiting the shift invariance of the parameter-to-observable map and devising novel parallel algorithms, we induce a fast offline–online decomposition. The offline component requires just one adjoint wave propagation per sensor; using MFEM, we scale this part of the computation to the full El Capitan system (43,520 GPUs) with 92% weak parallel efficiency. Moreover, given real-time data, the online component exactly solves the Bayesian inverse and forecasting problems in 0.2 seconds on a modest GPU system, a ten-billion-fold speedup.

97 MATHEMATICS AND COMPUTING↗

A copula-based rank histogram ensemble filter

Serial ensemble filters implement triangular probability transport maps to reduce high-dimensional inference problems to sequences of state-by-state univariate inference problems. The univariate inference problems are solved by sampling posterior probability densities obtained by combining constructed prior densities with observational likelihoods according to Bayes' rule. Many serial filters in the literature focus on representing the marginal posterior densities of each state. However, rigorously capturing the conditional dependencies between the different univariate inferences is crucial to correctly sampling multidimensional posteriors. This work proposes a new serial ensemble filter, called the copula rank histogram filter (CoRHF), that seeks to capture the conditional dependency structure between variables via empirical copula estimates; these estimates are used to rigorously implement the triangular (state-by-state univariate) Bayesian inference. The success of the CoRHF is demonstrated on two-dimensional examples and the Lorenz'63 problem. A practical extension to the high-dimensional setting is developed by localizing the empirical copula estimation, and is demonstrated on the Lorenz'96 problem.

97 MATHEMATICS AND COMPUTING↗

A Stochastic Covariance Shrinkage Approach in Ensemble Transform Kalman Filtering

The Ensemble Kalman Filters (EnKF) employ a Monte-Carlo approach to represent covariance information, and are affected by sampling errors in operational settings where the number of model realizations is much smaller than the model state dimension. To alleviate the effects of these errors EnKF relies on model-specific heuristics such as covariance localization, which takes advantage of the spatial locality of correlations among the model variables. This work proposes an approach to alleviate sampling errors that utilizes a locally averaged-in-time dynamics of the model, described in terms of a climatological covariance of the dynamical system. We use this covariance as the target matrix in covariance shrinkage methods, and develop a stochastic covariance shrinkage approach where synthetic ensemble members are drawn to enrich both the ensemble subspace and the ensemble transformation. We additionally provide for a way in which this methodology can be localized similar to the state-of-the-art LETKF method, and that for a certain model setup, our methodology significantly outperforms it.

54 ENVIRONMENTAL SCIENCES↗

Editorial: Predicting near-earth space environment: new perspective and capabilities in the AI age

Editorial on the Research Topic Predicting near-earth space environment: new perspective and capabilities in the AI age The near-Earth space environment is not only an operational hazard for space missions, but also a scientific laboratory for advancing our understanding and prediction of space plasma populations. This Research Topic is organized around three interconnected themes: observational datasets, machine-learning (ML) model development, and the discovery of new physical insights through those models. Its primary goal is to highlight the emerging capabilities in space environment prediction that are enabled, or will be enabled, by integrating advanced techniques—including AI/ML methods—with long-term curated datasets.

58 GEOSCIENCES↗

AI-Based Upgrades to Observational Data Centers to Facilitate Data Interoperability

Focal Areas: (1) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing). Focal areas 2 and 3 have critical dependencies to the modernization described. Key benefits to the focal areas: (1) Modernized observatory framework capable of agile adaptive observation, (2) Advanced instrument and data tagging supporting AI data acquisition for assimilation or validation, and (3) Widespread data interoperability bridging Earth system prediction scales

54 ENVIRONMENTAL SCIENCES↗

Potential Impacts of Assimilating All-sky Satellite Infrared Radiances on Convection-Permitting Analysis and Prediction of Tropical Convection

Geostationary infrared satellite observations are spatially dense [< 1/(20 km)2] and temporally frequent (< 1/hour). These suggest the possibility of using these observations to constrain sub-synoptic features over data sparse regions, such as tropical oceans. In this study, the potential impacts of assimilating water vapor channel brightness temperature (WV-BT) observations from the geostationary Meteorological Satellite 7 (Meteosat-7) on tropical convection analysis and prediction were systematically examined through a series of ensemble data assimilation experiments. WV-BT observations were assimilated hourly into convection-permitting ensembles using Penn State’s ensemble square root filter (EnSRF). Comparisons against independently observed Meteosat-7 window channel brightness temperature (Window-BT) show that the assimilation of WV-BT generally improved the intensities and locations of large-scale cloud patterns at spatial scales larger than 100 km. However, comparisons against independent soundings indicate that the EnSRF analysis produced a much stronger dry bias than the no data assimilation experiment. This strong dry bias is associated with the use of the simulated WV-BT from the prior mean during the EnSRF analysis step. A stochastic variant of the ensemble Kalman filter (NoMeanSF) is proposed. The NoMeanSF algorithm was able to assimilate the WV-BT without causing such a strong dry bias and the quality of the analyses’ horizontal cloud pattern is similar to EnSRF’s analyses. Finally, deterministic forecasts initiated from the NoMeanSF analyses possess better horizontal cloud patterns above 500 km than those of the EnSRF. These results suggest that it might be better to assimilate all-sky WV-BT through the NoMeanSF algorithm than EnSRF algorithm.

Chan, Man-Yau↗

Emergent Concepts from a Community Ideation on AI4ESP

This AI4ESP white paper is the outcome of an open ideation session led by PNNL that numerous institutions participated in. The leadership team included Amy Goldman, Huiying Ren, Tim Scheibe, and James Stegen. The white paper is broken into two sections: (1) A summary of the ideation session, and (2) a short summary of a ‘meta idea’ that emerged from combining multiple ideas spanning the three primary focal area themes articulated in BER’s AI4ESP guidance: A - Data Acquisition and Assimilation, B - Predictive Modeling, and C - Insight from Complex Data. The white paper, therefore, has two goals. The first section is meant to be a resource for innovating around how to pursue open, community-based ideation in virtual environments. The second section is meant as an example of the kinds of ‘meta ideas’ that can emerge from bringing diverse ideas together in a single shared space. We consider the second section to be a submission to BER’s request for white papers around AI4ESP.

54 ENVIRONMENTAL SCIENCES↗

Integrating Applied Energy and BER Smart Data Capabilities to Develop a DOE Data Fabric for Energy-Water R&D

Focal Area(s): 1) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing). Science Challenge: DOE R&D, including DOE’s Basic Energy Research (BER)’s Environmental Systems Science Division (EESSD) program and DOE’s applied energy research (AER) programs (EERE, FE, and NE) are producers and consumers of Earth systems datasets. This white paper focuses on the first topic area from the call in relation to how crosscutting resources and innovations from DOE’s EESSD and AER can be brought to bear to mutual benefit and more efficient energy-water, Earth system data resources through improved. The overarching challenge posed by this call focuses on how DOE can directly leverage artificial intelligence (AI) to engineer a substantial (paradigm-changing) improvement in Earth System Predictability? While stemming from DOE BER’s EESSD program, this is a challenge that is faced and also being addressed by DOE’s AER programs. Over the past decade plus, FE, EERE, and NE programs have made important strides towards addressing this need. These strides are in many ways highly complementary to EESSD’s MODEX efforts. Energy water systems spanning metocean to groundwater to surface water systems all are data driven whether for basic energy or applied energy. These are remote, multi-variate, complex natural, and in many cases engineered, systems. Key needs and challenges of both EESSD and AER include developing data-focused tools to enhance data search and discovery to fill in knowledge gaps (address sparse data challenge), and rapidly transform datasets, including disparate and multi-source data. Leveraging DOE on-premise computing (HPC, exascale) infrastructure supports the computing-intensive algorithms required to execute these data acquisition and transformation processes to derive enriched knowledge and data, driving AI/ML and big data analytics for these systems. The opportunity lies in combining BER and AER efforts to provide a more robust, advanced, efficient and complete computing data fabric to address energy-water data acquisition and assimilation needs which currently pose significant impediments to AI/ML predictions and research.

54 ENVIRONMENTAL SCIENCES↗

Process Discovery through Assimilation of Complex Biogeochemical Datasets

This white paper addresses two of three focal areas identified in the white paper call: 1) Biogeochemical data acquisition and assimilation enabled by machine learning and 3) Insight gleaned from complex data using AI. We focus on AI application to complex biogeochemistry (BGC) data (e.g. laboratory experimental data, field manipulation data, literature data), which is an untapped source of information for improving Earth System Predictability (ESP).

58 GEOSCIENCES↗

AI4ESP: Process Discovery through Assimilation of Complex Geochemical Datasets

This white paper addresses two of three focal areas identified in the white paper call: 1) Biogeochemical data acquisition and assimilation enabled by machine learning and 3) Insight gleaned from complex data using AI. We focus on AI application to complex biogeochemistry (BGC) data (e.g. laboratory experimental data, field manipulation data, literature data), which is an untapped source of information for improving Earth System Predictability (ESP).

54 ENVIRONMENTAL SCIENCES↗

Antarctic ice sheet model comparison with uncurated geological constraints shows that higher spatial resolution improves deglacial reconstructions

Accurately reconstructing past changes to the shape and volume of the Antarctic ice sheet relies on the use of physically based and thus internally consistent ice sheet modeling, benchmarked against spatially limited geologic data. The challenge in model benchmarking against geologic data is diagnosing whether model-data misfits are the result of an inadequate model, inherently noisy or biased geologic data, and/or incorrect association between modeled quantities and geologic observations. In this work we address this challenge by (i) the development and use of a new model-data evaluation framework applied to an uncurated data set of geologic constraints, and (ii) nested high-spatial-resolution modeling designed to test the hypothesis that model resolution is an important limitation in matching geologic data. While previous approaches to model benchmarking employed highly curated datasets, our approach applies an automated screening and quality control algorithm to an uncurated public dataset of geochronological observations (specifically, cosmogenic-nuclide exposure-age measurements from glacial deposits in ice-free areas). This optimizes data utilization by including more geological constraints, reduces potential interpretive bias, and allows unsupervised assimilation of new data as they are collected. We also incorporate a nested model framework in which high-resolution domains are downscaled from a continent-wide ice sheet model. We highlight the application of this framework by applying these methods to a small ensemble of deglacial ice-sheet model simulations, and demonstrate that the nested approach improves the ability of model simulations to match exposure age data collected from areas of complex topography and ice flow. We develop a range of diagnostic model-data comparison metrics to provide more insight into model performance than possible from a single-valued misfit statistic, showing that different metrics capture different aspects of ice sheet deflation.

Geosciences↗

Multi-Scale Integrated Monitoring System for Enhancing Methane Emission Detection, Quantification & Prediction

This report details the progress and findings of a comprehensive study on reviewing existing solutions, identifying technology gaps, and formulating an “all-in-one” integrated strategy for developing the next-generation multiscale methane monitoring and modeling platform, conducted under grant number DE-FE0032292. Co-led by Dr. David Ebert, Dr. Binbin Weng, and Dr. Chenghao Wang at the University of Oklahoma, the project’s goal was to develop an integrated approach for building this engineering platform to detect, quantify, and mitigate methane emissions across various temporal scale, spatial scales, and sectors. The planning grant study began with an extensive review of various methane sensing and monitoring technologies and systems, surveying over 100 technology providers globally. This review revealed the prevalence of optical methods over chemical methods in commercially available sensors, with Non-Dispersive Infrared (NDIR), Tunable Diode Laser Absorption Spectroscopy (TDLAS), and Optical Gas Imaging (OGI) cameras being the most prevalent options. A trend towards more advanced optical techniques was observed, driven by increased regulatory focus and technological advancements. The technical evaluation of these sensing technologies provided crucial insights into their capabilities and limitations. The study examined emerging technologies such as Differential Absorption LiDAR (DIAL), which show promise for high-precision and long-range detection. The team then investigated the features and application bandwidth of various sensing platforms, including handheld, fixed/stationary, mobile, aerials, and spaceborne monitors. Pilot field studies were conducted to assess the capabilities of solutions for different emission scenarios. Field work with sensor deployments was conducted at three distinct site types: an oil & gas industry site, a cattle ranching operation, and a waste processing facility. The team also conducted a thorough review of methane flux inverse modeling approaches, focused on physically based methods. These approaches were categorized into simple, intermediate, and advanced methods. A realtime WRF-GHG (Weather Research and Forecasting-Greenhouse Gas) modeling system was developed and applied, incorporating multiple data sources to guide field experiments and inform methane plume detection. The project identified and analyzed numerous categories of methane data sources, including satellite measurements, ground-based sensors, and inventory databases. Key platforms examined include EDGAR, EPA GHGI, NASA TROPOMI, Carbon Mapper, and Climate TRACE, among others. The team proposed an architecture for a comprehensive methane monitoring platform. This system incorporates multi-source data acquisition, advanced data processing and assimilation, interactive visualization tools, and analytical capabilities for emissions forecasting and scenario analysis. The proposed platform aims to provide a user-friendly interface catering to various stakeholders, from researchers to policymakers. The architecture includes sophisticated data ingestion methods, a centralized data warehouse, and advanced analytical tools for data fusion and interpretation. To ensure the relevance and effectiveness of the proposed system, a comprehensive survey was conducted to gather stakeholder input on system requirements. Key findings include a strong need for integrating various data types and formats, a preference for real-time data updates and advanced visualization tools, and a demand for user-friendly interfaces catering to different expertise levels.

03 NATURAL GAS↗