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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Subseasonal Earth System Prediction with CESM2

Abstract Prediction systems to enable Earth system predictability research on the subseasonal time scale have been developed with the Community Earth System Model, version 2 (CESM2) using two configurations that differ in their atmospheric components. One system uses the Community Atmosphere Model, version 6 (CAM6) with its top near 40 km, referred to as CESM2(CAM6). The other employs the Whole Atmosphere Community Climate Model, version 6 (WACCM6) whose top extends to ∼140 km, and it includes fully interactive tropospheric and stratospheric chemistry [CESM2(WACCM6)]. Both systems are utilized to carry out subseasonal reforecasts for the 1999–2020 period following the Subseasonal Experiment’s (SubX) protocol. Subseasonal prediction skill from both systems is compared to those of the National Oceanic and Atmospheric Administration CFSv2 and European Centre for Medium-Range Weather Forecasts (ECMWF) operational models. CESM2(CAM6) and CESM2(WACCM6) show very similar subseasonal prediction skill of 2-m temperature, precipitation, the Madden–Julian oscillation, and North Atlantic Oscillation to its previous version and to the NOAA CFSv2 model. Overall, skill of CESM2(CAM6) and CESM2(WACCM6) is a little lower than that of the ECMWF system. In addition to typical output provided by subseasonal prediction systems, CESM2 reforecasts provide comprehensive datasets for predictability research of multiple Earth system components, including three-dimensional output for many variables, and output specific to the mesosphere and lower-thermosphere (MLT) region from CESM2(WACCM6). It is shown that sudden stratosphere warming events, and the associated variability in the MLT, can be predicted ∼10 days in advance. Weekly real-time forecasts and reforecasts with CESM2(CAM6) and CESM2(WACCM6) are freely available. Significance Statement We describe here the design and prediction skill of two subseasonal prediction systems based on two configurations of the Community Earth System Model, version 2 (CESM2): CESM2 with the Community Atmosphere Model, version 6 [CESM2(CAM6)] and CESM 2 with Whole Atmosphere Community Climate Model, version 6 [CESM2(WACCM6)] as its atmospheric component. These two systems provide a foundation for community-model based subseasonal prediction research. The CESM2(WACCM6) system provides a novel capability to explore the predictability of the stratosphere, mesosphere, and lower thermosphere. Both CESM2(CAM6) and CESM2(WACCM6) demonstrate subseasonal surface prediction skill comparable to that of the NOAA CFSv2 model, and a little lower than that of the ECMWF forecasting system. CESM2 reforecasts provide a comprehensive dataset for predictability research of multiple aspects of the Earth system, including the whole atmosphere up to 140 km, land, and sea ice. Weekly real-time forecasts, reforecasts, and models are publicly available.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

ORBIT: Oak Ridge Base Foundation Model for Earth System Predictability

Earth system predictability is challenged by the complexity of environmental dynamics and the multitude of variables involved. Current AI foundation models, although advanced by leveraging large and heterogeneous data, are often constrained by their size and data integration, limiting their effectiveness in addressing the full range of Earth system prediction challenges. To overcome these limitations, we introduce the Oak Ridge Base Foundation Model for Earth System Predictability (ORBIT), an advanced vision transformer model that scales up to 113 billion parameters using a novel hybrid tensor-data orthogonal parallelism technique. As the largest model of its kind, ORBIT surpasses the current climate AI foundation model size by a thousandfold. Performance scaling tests conducted on the Frontier supercomputer have demonstrated that ORBIT achieves 684 petaFLOPS to 1.6 exaFLOPS sustained throughput, with scaling efficiency maintained at 41% to 85% across 49,152 AMD GPUs. These breakthroughs establish new advances in AI-driven climate modeling and demonstrate promise to significantly improve the Earth system predictability.

Wang, Xiao↗
DOE OSTI2021

Initialized Earth system prediction from subseasonal to decadal timescales

Initialized Earth system predictions are made by starting a numerical prediction model in a state as consistent as possible to observations, and running it forward in time for up to ten years. Skillful predictions at time slices from subseasonal to seasonal (S2S), seasonal to interannual (S2I) and seasonal to decadal (S2D) offer information useful for various stakeholders, from agriculture to water resource management, and human and infrastructure safety. In this Review, we examine the processes influencing predictability, and discuss estimates of skill across S2S, S2I and S2D timescales. There are encouraging signs that skillful predictions can be made: at S2S timescales, there has been some skill in predicting the Madden-Julian Oscillation and North Atlantic Oscillation; at S2I in predicting the El Niño-Southern Oscillation; and at S2D, in predicting variability in North Atlantic sea surface temperatures. However, challenges remain, and future work must prioritise reducing model error, more effectively communicating forecasts to users, and increasing process and mechanistic understanding that could increase predictive skill and, in turn, confidence. As numerical models progress towards Earth system models, initialized predictions are expanding to include prediction of sea-ice, air pollution, terrestrial and ocean biochemistry which can bring clear benefit to society and various stakeholders.

climate prediction↗
DOE OSTI2021

MULTICOM2 open-source protein structure prediction system powered by deep learning and distance prediction

Protein structure prediction is an important problem in bioinformatics and has been studied for decades. However, there are still few open-source comprehensive protein structure prediction packages publicly available in the field. In this paper, we present our latest open-source protein tertiary structure prediction system—MULTICOM2, an integration of template-based modeling (TBM) and template-free modeling (FM) methods. The template-based modeling uses sequence alignment tools with deep multiple sequence alignments to search for structural templates, which are much faster and more accurate than MULTICOM1. The template-free (ab initio or de novo) modeling uses the inter-residue distances predicted by DeepDist to reconstruct tertiary structure models without using any known structure as template. In the blind CASP14 experiment, the average TM-score of the models predicted by our server predictor based on the MULTICOM2 system is 0.720 for 58 TBM (regular) domains and 0.514 for 38 FM and FM/TBM (hard) domains, indicating that MULTICOM2 is capable of predicting good tertiary structures across the board. It can predict the correct fold for 76 CASP14 domains (95% regular domains and 55% hard domains) if only one prediction is made for a domain. The success rate is increased to 3% for both regular and hard domains if five predictions are made per domain. Moreover, the prediction accuracy of the pure template-free structure modeling method on both TBM and FM targets is very close to the combination of template-based and template-free modeling methods. This demonstrates that the distance-based template-free modeling method powered by deep learning can largely replace the traditional template-based modeling method even on TBM targets that TBM methods used to dominate and therefore provides a uniform structure modeling approach to any protein. Finally, on the 38 CASP14 FM and FM/TBM hard domains, MULTICOM2 server predictors (MULTICOM-HYBRID, MULTICOM-DEEP, MULTICOM-DIST) were ranked among the top 20 automated server predictors in the CASP14 experiment. After combining multiple predictors from the same research group as one entry, MULTICOM-HYBRID was ranked no. 5. The source code of MULTICOM2 is freely available at https://github.com/multicom-toolbox/multicom/tree/multicom_v2.0 .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Assessment of Cloud Mask Forecasts from the WRF-Solar Ensemble Prediction System: Preprint

Numerical weather prediction (NWP) models are important tools used by government agencies and the renewable energy enterprise to forecast solar radiation. Cloud prediction, a key process of NWP models, has the highest impact on the accuracy of solar forecasting. This study uses satellite observations from the National Solar Radiation Data Base (NSRDB) to evaluate the cloud mask forecast by the WRF-Solar Ensemble Prediction System (WRF-Solar EPS). Preliminary analysis of the data in 2018 demonstrates the need of further improvement in predicting thin and low-level clouds. The information obtained from this work will be used to enhance the WRF-Solar EPS in reproducing the cloud field over the contiguous U.S. and reducing solar forecasting errors.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2024

Perspectives on AI Architectures and Codesign for Earth System Predictability

Abstract Recently, the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER), and Advanced Scientific Computing Research (ASCR) programs organized and held the Artificial Intelligence for Earth System Predictability (AI4ESP) workshop series. From this workshop, a critical conclusion that the DOE BER and ASCR community came to is the requirement to develop a new paradigm for Earth system predictability focused on enabling artificial intelligence (AI) across the field, laboratory, modeling, and analysis activities, called model experimentation (ModEx). BER’s ModEx is an iterative approach that enables process models to generate hypotheses. The developed hypotheses inform field and laboratory efforts to collect measurement and observation data, which are subsequently used to parameterize, drive, and test model (e.g., process based) predictions. A total of 17 technical sessions were held in this AI4ESP workshop series. This paper discusses the topic of the AI Architectures and Codesign session and associated outcomes. The AI Architectures and Codesign session included two invited talks, two plenary discussion panels, and three breakout rooms that covered specific topics, including 1) DOE high-performance computing (HPC) systems, 2) cloud HPC systems, and 3) edge computing and Internet of Things (IoT). We also provide forward-looking ideas and perspectives on potential research in this codesign area that can be achieved by synergies with the other 16 session topics. These ideas include topics such as 1) reimagining codesign, 2) data acquisition to distribution, 3) heterogeneous HPC solutions for integration of AI/ML and other data analytics like uncertainty quantification with Earth system modeling and simulation, and 4) AI-enabled sensor integration into Earth system measurements and observations. Such perspectives are a distinguishing aspect of this paper. Significance Statement This study aims to provide perspectives on AI architectures and codesign approaches for Earth system predictability. Such visionary perspectives are essential because AI-enabled model-data integration has shown promise in improving predictions associated with climate change, perturbations, and extreme events. Our forward-looking ideas guide what is next in codesign to enhance Earth system models, observations, and theory using state-of-the-art and futuristic computational infrastructure.

54 ENVIRONMENTAL SCIENCES↗
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 OSTI2024

Perspectives on AI Architectures and Co-design for Earth System Predictability

Recently, the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER), and Advanced Scientific Computing Research (ASCR) programs organized and held the Artificial Intelligence for Earth System Predictability (AI4ESP) workshop series. From this workshop, a critical conclusion that the DOE BER and ASCR community came to is the requirement to develop a new paradigm for Earth system predictability focused on enabling artificial intelligence (AI) across the field, laboratory, modeling, and analysis activities, called model experimentation (ModEx). BER’s ModEx is an iterative approach that enables process models to generate hypotheses. The developed hypotheses inform field and laboratory efforts to collect measurement and observation data, which are subsequently used to parameterize, drive, and test model (e.g., process based) predictions. A total of 17 technical sessions were held in this AI4ESP workshop series. This paper discusses the topic of the AI Architectures and Codesign session and associated outcomes. The AI Architectures and Codesign session included two invited talks, two plenary discussion panels, and three breakout rooms that covered specific topics, including 1) DOE high-performance computing (HPC) systems, 2) cloud HPC systems, and 3) edge computing and Internet of Things (IoT). We also provide forward-looking ideas and perspectives on potential research in this codesign area that can be achieved by synergies with the other 16 session topics. These ideas include topics such as 1) reimagining codesign, 2) data acquisition to distribution, 3) heterogeneous HPC solutions for integration of AI/ML and other data analytics like uncertainty quantification with Earth system modeling and simulation, and 4) AI-enabled sensor integration into Earth system measurements and observations. Such perspectives are a distinguishing aspect of this paper.

58 GEOSCIENCES↗
DOE OSTI2022

The Seasonal-to-Multiyear Large Ensemble (SMYLE) prediction system using the Community Earth System Model version 2

Abstract. The potential for multiyear prediction of impactful Earth system change remains relatively underexplored compared to shorter (subseasonal to seasonal) and longer (decadal) timescales. In this study, we introduce a new initialized prediction system using the Community Earth System Model version 2 (CESM2) that is specifically designed to probe potential and actual prediction skill at lead times ranging from 1 month out to 2 years. The Seasonal-to-Multiyear Large Ensemble (SMYLE) consists of a collection of 2-year-long hindcast simulations, with four initializations per year from 1970 to 2019 and an ensemble size of 20. A full suite of output is available for exploring near-term predictability of all Earth system components represented in CESM2. We show that SMYLE skill for El Niño–Southern Oscillation is competitive with other prominent seasonal prediction systems, with correlations exceeding 0.5 beyond a lead time of 12 months. A broad overview of prediction skill reveals varying degrees of potential for useful multiyear predictions of seasonal anomalies in the atmosphere, ocean, land, and sea ice. The SMYLE dataset, experimental design, model, initial conditions, and associated analysis tools are all publicly available, providing a foundation for research on multiyear prediction of environmental change by the wider community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Captured QBO‐MJO Connection in a Subseasonal Prediction System

Abstract The quasi‐biennial oscillation (QBO) impacts the Madden‐Julian Oscillation (MJO) activity with a stronger MJO in QBO easterly (QBOE) than QBO westerly (QBOW) winters. However, this relationship is poorly represented in the current generation climate models. For the first time, this paper applies a stratospheric zonal‐mean nudging in a subseasonal prediction system to capture it. Two strong MJO cases in a QBO‐neutral winter are investigated. The QBO temperature and zonal wind anomalies are added separately as well as together to the stratosphere using nudging in MJO case hindcast. Only by nudging the QBO temperature anomalies while leaving the zonal wind free, can the prediction system capture the observed QBO‐MJO connection. The tropopause instability is found positively correlated to the MJO amplitude, but it cannot fully explain the captured connection. The free‐evolving zonal wind anomalies in the stratosphere due to the nudged QBO temperature are crucial for the captured connection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Gridded Solar Irradiance Ensemble Prediction System Based on WRF-Solar EPS and the Analog Ensemble

The WRF-Solar Ensemble Prediction System (WRF-Solar EPS) and a calibration method, the analog ensemble (AnEn), are used to generate calibrated gridded ensemble forecasts of solar irradiance over the contiguous United States (CONUS). Global horizontal irradiance (GHI) and direct normal irradiance (DNI) retrievals, based on geostationary satellites from the National Solar Radiation Database (NSRDB) are used for both calibrating and verifying the day-ahead GHI and DNI predictions (GDIP). A 10-member ensemble of WRF-Solar EPS is run in a re-forecast mode to generate day-ahead GDIP for three years. The AnEn is used to calibrate GDIP at each grid point independently using the NSRDB as the “ground truth”. Performance evaluations of deterministic and probabilistic attributes are carried out over the whole CONUS. The results demonstrate that using the AnEn calibrated ensemble forecast from WRF-Solar EPS contributes to improving the overall quality of the GHI predictions with respect to an AnEn calibrated system based only on the deterministic run of WRF-Solar. In fact, the calibrated WRF-Solar EPS’s mean exhibits a lower bias and RMSE than the calibrated deterministic WRF-Solar. Moreover, using the ensemble mean and spread as predictors for the AnEn allows a more effective calibration than using variables only from the deterministic runs. Finally, it has been shown that the recently introduced algorithm of correction for rare events is of paramount importance to obtain the lowest values of GHI from the calibrated ensemble (WRF-Solar EPS AnEn), qualitatively consistent with those observed from the NSRDB.

14 SOLAR ENERGY↗
DOE OSTI2021

The WRF-Solar Ensemble Prediction System to Provide Solar Irradiance Probabilistic Forecasts

In this study, we introduce the recently developed WRF-solar ensemble prediction system and a calibration method. The performances of forecast models are evaluated using the National Solar Radiation Database observational analysis for day-ahead solar irradiance predictions. The results demonstrate that the ensemble forecast improves the quality of the forecasts by considering the uncertainty of each ensemble member. The analog ensemble calibration contributed to the reduction of positive bias and an overall improvement in the probabilistic attributes, such as reliability and statistical consistency.

14 SOLAR ENERGY↗
DOE OSTI2022

Artificial Intelligence for Earth System Predictability (AI4ESP) (2021 Workshop Report)

In October 2021, the U.S. Department of Energy (DOE) welcomed participants to the Artificial Intelligence for Earth System Predictability (AI4ESP) Workshop, hosted by the Office of Biological and Environmental Research (BER)—Advanced Scientific Computing Research (ASCR). The workshop is part of BER-ASCR’s ambition to more radically and aggressively advance prediction capabilities in the climate, Earth, and environmental sciences through the use of modern data analytics and artificial intelligence (AI). Advances in these capabilities are needed to improve predictions of climate change and extreme events that provide actionable information for planning and building resilience to their impacts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Robust Multiyear Climate Impacts of Volcanic Eruptions in Decadal Prediction Systems

Abstract Major tropical volcanic eruptions have a large impact on climate, but there have only been three major eruptions during the recent relatively well‐observed period. Models are therefore an important tool to understand and predict the impacts of an eruption. This study uses five state‐of‐the‐art decadal prediction systems that have been initialized with the observed state before volcanic aerosols are introduced. The impact of the volcanic aerosols is found by subtracting the results of a reference experiment where the volcanic aerosols are omitted. We look for the robust impact across models and volcanoes by combining all the experiments, which helps reveal a signal even if it is weak in the models. The models used in this study simulate realistic levels of warming in the stratosphere, but zonal winds are weaker than the observations. As a consequence, models can produce a pattern similar to the North Atlantic Oscillation in the first winter following the eruption, but the response and impact on surface temperatures are weaker than in observations. Reproducing the pattern, but not the amplitude, may be related to a known model error. There are also impacts in the Pacific and Atlantic Oceans. This work contributes toward improving the interpretation of decadal predictions in the case of a future large tropical volcanic eruption.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A New Paradigm for Observing and Modeling of Air-Sea Interactions to Advance Earth System Prediction

The protection of people, property, and environmental resources from extreme weather, seasonal patterns, and climate change drives the need for predictions of weather, ocean, and climate patterns that have skill and value at timescales longer than traditional 1-10-day forecasts, including outlooks spanning weeks to decades. Advancing Earth System Prediction (ESP) skill at this range of timescales requires improved observations, understanding, and modeling of the processes in the ocean boundary layer, the atmospheric boundary layer, and their interface. A new way of referring to this coupled system is the Air-Sea Transition Zone (ASTZ). The report that follows is framed by the paradigm that the ASTZ is a single entity that regulates the flow of energy and matter between the ocean and the atmosphere. The ASTZ is thus the medium through which the ocean and atmosphere respond to and influence one another across their often disparate scales of variability. ASTZ modeling, observing, and understanding needs are particularly acute because very few measurements exist over oceans, and even fewer span the entire ASTZ, even though oceans cover 70% of Earth’s surface and are the source of most of the rain and snow that falls on both the land and the oceans.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The WRF-Solar Ensemble Prediction System: Development, Test, and Validation

Providing reliable probabilistic solar radiation information is needed to improve management of the uncertainty and variability of solar generation. Thus, guidance on how to develop skillful and accurate ensemble forecasts is essential and it will ultimately contribute to integration of high amounts of solar energy on the grid. A team from the National Renewable Energy Laboratory and the National Center for Atmospheric Research had been collaborating to develop the WRF-Solar ensemble prediction system (WRF-Solar EPS) in the past three years to produce probabilistic solar irradiance forecasts and better predict solar energy by quantifying forecast uncertainty. The WRF-Solar EPS basically generates ensemble members for solar irradiance based on stochastic perturbations to provide intraday and day-ahead probabilistic forecasts. This study will present main research steps in developing the WRF-Solar EPS including: (a) tangent linear analysis for identifying key input variables of six WRF-Solar modules significantly related to predicting of cloud and solar irradiance, (b) combining stochastic perturbation technique with the WRF-Solar model, and (c) ensemble calibration method to decrease error and uncertainty of ensemble-based solar forecasts. The capability of WRF-Solar EPS is now updated to the most recent version of standard WRF model. This presentation will summarize comprehensive results from the evaluation of forecasts against the National Solar Radiation Data Base as well as ground-measured observations. Moreover, we will introduce the user's guide for WRF-Solar EPS (e.g., parameters to configure stochastic perturbations) and future extension of this research.

day-ahead forecast↗
DOE OSTI2021

Prediction of the Thermal Runaway Limit and Optimal Operation of Heat Transfer-Limited, Fixed-Bed Reactor Systems

Here, we derive a new prediction for thermal runaway starting from the alpha model for fixed-bed reactor systems. This method accounts for thermal resistance internal to the reactor tube and the radial temperature gradients that result. To showcase our method, we compare its predictions to other common criteria for thermal runaway using o-xylene oxidation as the example chemistry. Even in systems where internal heat transfer is negligible, the empirical practical design criterion for thermal runaway is inaccurate. For cases where internal heat transfer is relevant, our runaway limit is more stringent than limits derived from simpler 1-D models. To augment our work, we optimize the product yield with the thermal runaway constraint using orthogonal collocation. Using the alpha model, the results illustrate that the thermal runaway limit can be accurately determined using either numerical or analytical methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗