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DOE OSTI2020

Developing a simulator-based satellite dataset for using machine learning techniques to derive aerosol-cloud-precipitation interactions in models and observations in a consistent framework

Aerosol-cloud-precipitation interactions (ACPI) remain a major uncertainty in understanding the Earth’s radiation budget and water cycle (including extremes). After decades of active research, various observationally based metrics have been developed to constrain ACPI in Earth System Models (ESMs), but direct comparison of model and data estimates can confound scientific understanding because limitations and uncertainties in sampling and retrieval procedures may combine with model deficiencies in process representations of ACPI to obstruct understanding. Furthermore, conventional ACPI metrics often vary from one regime to another, and the ACPI process representation in ESMs is also typically derived based on only a limited area/regime (even though the parameterization applies globally). To bridge the gap between models and data and to correctly describe ACPI in all regimes, we propose to construct a new CALIPSO-CloudSat merged dataset that is produced by the same algorithms used in satellite simulators in ESMs, and to use machine learning techniques to derive new ACPI metrics that can be accurately estimated by satellites and can provide meaningful constraints on cloud microphysical process representations in ESMs. The dataset will include measured and retrieved variables for aerosol, cloud, and precipitation from CALIPSO and CloudSat, and environmental variables from meteorological reanalysis. The data will be used to train a neural network to construct the ACPI metrics as a function of environmental conditions. The new ACPI formula will be used to constrain the ACPI in the Energy Exascale Earth System Model (E3SM), and to augment/reformulate the ACPI process representation in the E3SM to improve the simulation of the evolution of the atmosphere under different environmental conditions.

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 OSTI2022

Development of Land‐River Two‐Way Hydrologic Coupling for Floodplain Inundation in the Energy Exascale Earth System Model

Abstract Floodplain inundation links river and land systems through significant water, sediment, and nutrient exchanges. However, these two‐way interactions between land and river are currently missing in most Earth System Models. In this study, we introduced the two‐way hydrological coupling between the land component, E3SM Land Model, and the river component, Model for Scale Adaptive River Transport, in Energy Exascale Earth System Model (E3SM) to study the impacts of floodplain inundation on land and river processes. We calibrated the river channel geometry and developed a new data‐driven inundation scheme to improve the simulation of inundation dynamics in E3SM. The new inundation scheme captures 96% of the spatial variation of inundation area in a satellite inundation product at global scale, in contrast with 7% when the default inundation scheme of E3SM was used. Global simulations including the new inundation scheme performed at resolution with and without land‐river two‐way coupling was used to quantify the impact of coupling. Comparisons show that two‐way coupling modifies the water and energy cycle in 20% of the global land cells. Specifically, riverine inundation is reduced by two‐way coupling, but inland inundation is intensified. Wetter periods are more impacted by the two‐way coupling at the global scale, while regions with different climates exhibit different sensitivities. The two‐way exchange of water between the land and river components of E3SM provides the foundation for enabling two‐way coupling of land‐river sediment and biogeochemical fluxes. These capabilities will be used to improve understanding of the interactions between water and biogeochemical cycles and their response to human perturbations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Observational Data for Next-Generation Climate Model Evaluation: Requirements, Considerations, and Best Practices

Climate model simulations are an important source of information about our planet’s climate system and also enable informed decision-making under different future scenarios. As a new archive of results from the next generation of climate models is anticipated to become available with the Coupled Model Intercomparison Project phase 7 (CMIP7), the need to develop efficient and robust methods to evaluate models is paramount. Observations are an integral part of model evaluation, providing a means to quantify and understand the degree to which climate models can faithfully reproduce Earth system processes. Such analysis is critical for constraining climate projections, identifying areas of focus for model development, and assisting analysts in deciphering the utility of models for specific applications. Observations of Earth system come from a diversity of sources, span different space–time domains, and are produced by different communities, and each dataset features different data structures and formats, metadata standards, and its own unique uncertainties. Uncertainties in an observational dataset may stem from gaps in temporal and spatial coverage, instrumentation errors, or assumptions in retrieval and processing methods. How then does one ensure that observational data are ready for use and utilized in the most appropriate way for robust, rapid, and routine climate model evaluation? The CMIP7 Model Benchmarking Task Team with input from the broader climate modeling, model evaluation, and observational data communities present a vision and considerations for best practices toward the optimal and appropriate use of observational data to support next-generation climate model evaluation.

Climate models↗
DOE OSTI2020

Full Implementation of Matrix Approach to Biogeochemistry Module of CLM5

Abstract Earth system models (ESMs) have been rapidly developed in recent decades to advance our understanding of climate change‐carbon cycle feedback. However, those models are massive in coding, require expensive computational resources, and have difficulty in diagnosing their performance. It is highly desirable to develop ESMs with modularity and effective diagnostics. Toward these goals, we implemented a matrix approach to the Community Land Model version 5 (CLM5) to represent carbon and nitrogen cycles. Specifically, we reorganized 18 balance equations each for carbon and nitrogen cycles among the 18 vegetation pools in the original CLM5 into two matrix equations. Similarly, 140 balance equations each for carbon and nitrogen cycles among the 140 soil pools were reorganized into two additional matrix equations. The vegetation carbon and nitrogen matrix equations are connected to soil matrix equations via litterfall. The matrix equations fully reproduce simulations of carbon and nitrogen dynamics by the original model. The computational cost for forwarding simulation of the CLM5 matrix model was 26% more expensive than the original model, largely due to calculation of additional diagnostic variables, but the spin‐up computational cost was significantly saved. We showed a case study on modeled soil carbon storage under two forcing data sets to illustrate the diagnostic capability that the matrix approach uniquely offers to understand simulation results of global carbon and nitrogen dynamics. The successful implementation of the matrix approach to CLM5, one of the most complex land models, demonstrates that most, if not all, the biogeochemical models can be reorganized into the matrix form to gain high modularity, effective diagnostics, and accelerated spin‐up.

58 GEOSCIENCES↗
DOE OSTI2024

Effects of Rapid Permafrost Thaw on CO2 and CH4 Fluxes in a Warmer and Wetter Future (Final Technical Report)

When ice-rich permafrost thaws, the ground subsides, creating thermokarst landscapes with dramatically different soil conditions and carbon fluxes than the original ecosystem. Roughly 20% of the northern permafrost region is susceptible to thermokarst formation (Olefeldt et al., 2016). Thermokarst formation is often rapid; tens of meters of permafrost can thaw within a few years (Schuur et al., 2015). In topographically low areas, thermokarst thaw converts boreal forest or tundra dry shrub ecosystems into sedge or Sphagnum moss wetlands (Olefeldt et al., 2016). While this type of landscape transformation releases carbon stored in permafrost into the atmosphere, on longer time scales, it facilitates sequestration of atmospheric carbon in plant biomass because permafrost thaw releases plant-available nutrients and wetlands are highly productive (M. C. Jones et al., 2017). However, wetlands also generate methane, which is a potent greenhouse gas. Methane emissions from thermokarst wetlands can cause these carbon-sequestering systems to have a positive global warming potential (Johansson et al., 2006; Turetsky et al., 2007). Our project objective was to improve Earth System and environmental predictability by advancing understanding of how CO 2 and CH 4 flux in permafrost thaw-induced wetlands (thermokarst) will change in the future as temperatures and climate conditions shift. Northern latitudes are expected to get warmer and wetter (IPCC 2013), and initiation and expansion of thermokarst thaw is expected to increase (Jorgenson et al. 2006; Zhang et al. 2017). Given these expected changes, our work sought to address three broad questions: Q1) How will northern latitude CO2 and CH4 emissions respond to warming temperatures? Q2) What is the impact of precipitation on permafrost thaw and carbon emissions? Q3) How do CO2 and CH4 emissions change as wetlands age after permafrost thaw? To answer these questions, we took both a modeling and measurement approach. Modeling work was conducted with DOE’s Energy Exascale Earth System Model (E3SM) land model (ELM). Empirical work took place in two primary locations. The first was a thermokarst site near Fairbanks, AK. The site is part of the Bonanza Creek Long Term Ecological Research program and is well instrumented (Neumann et al., 2019). The second was an isolated thawing permafrost wetland located on Kenai Peninsula — Brown’s Lake bog (B. M. Jones et al., 2016) — where the current climate is representative of what is expected at higher latitudes in the future. This site provides an ideal opportunity to test our hypotheses about how thermokarst wetland dynamics will respond to future environmental conditions. In addition, the project collaborated with researchers asking similar questions who were collecting measurements in high latitude post-glacial lakes located in collaborators tackling similar questions in Sweden (Stordalen Mire) (Emerson et al., 2021). Project efforts directly aligned with the stated goal of the funding opportunity announcement (FOA), which was “to improve the understanding and representation of terrestrial ecosystems in ways that advance Earth system model parameterizations and capabilities... thereby improving the quality of Earth and environmental model projections and providing the scientific foundation needed to support DOE’s science and energy missions.” Specifically, the project improved sophistication and accuracy of the Energy Exascale Earth System Model (E3SM), which is being developed primarily at DOE National Laboratories to support scientific research and decision-making.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Atmospheric river representation in the Energy Exascale Earth System Model (E3SM) version 1.0

Abstract. The Energy Exascale Earth System Model (E3SM) project is an ongoing, state-of-the-science Earth system modeling, simulation, and prediction project developed by the US Department of Energy (DOE). With an emphasis on supporting the DOE's energy mission, understanding and quantifying how well the model simulates water cycle processes is of particular importance. Here, we evaluate E3SM version 1.0 (v1.0) for its ability to represent atmospheric rivers (ARs), which play significant roles in water vapor transport and precipitation. The characteristics and precipitation associated with global ARs in E3SM at standard resolution (1∘ × 1∘) are compared to the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA2). Global patterns of AR frequencies in E3SM show high degrees of correlation (≥0.97) with MERRA2 and low mean absolute errors (MAEs; <1 %) annually, seasonally, and across different ensemble members. However, some large-scale condition biases exist, leading to AR biases – most significant of which are the double intertropical convergence zone (ITCZ), a stronger and/or equatorward-shifted subtropical jet during boreal and austral winters, and enhanced Northern Hemisphere westerlies during summer. By comparing atmosphere-only and fully coupled simulations, we attribute the sources of the biases to the atmospheric component or to a coupling response. Using relationships revealed in Dong et al. (2021), we provide evidence showing the stronger North Pacific jet in winter and the enhanced Northern Hemisphere westerlies during summer, associated with E3SM's double ITCZ and related weaker Atlantic meridional overturning circulation (AMOC), respectively, which are significant sources of the AR biases found in the coupled simulations.

58 GEOSCIENCES↗
DOE OSTI2024

Evidential Deep Learning: Enhancing Predictive Uncertainty Estimation for Earth System Science Applications

Abstract Robust quantification of predictive uncertainty is a critical addition needed for machine learning applied to weather and climate problems to improve the understanding of what is driving prediction sensitivity. Ensembles of machine learning models provide predictive uncertainty estimates in a conceptually simple way but require multiple models for training and prediction, increasing computational cost and latency. Parametric deep learning can estimate uncertainty with one model by predicting the parameters of a probability distribution but does not account for epistemic uncertainty. Evidential deep learning, a technique that extends parametric deep learning to higher-order distributions, can account for both aleatoric and epistemic uncertainties with one model. This study compares the uncertainty derived from evidential neural networks to that obtained from ensembles. Through applications of the classification of winter precipitation type and regression of surface-layer fluxes, we show evidential deep learning models attaining predictive accuracy rivaling standard methods while robustly quantifying both sources of uncertainty. We evaluate the uncertainty in terms of how well the predictions are calibrated and how well the uncertainty correlates with prediction error. Analyses of uncertainty in the context of the inputs reveal sensitivities to underlying meteorological processes, facilitating interpretation of the models. The conceptual simplicity, interpretability, and computational efficiency of evidential neural networks make them highly extensible, offering a promising approach for reliable and practical uncertainty quantification in Earth system science modeling. To encourage broader adoption of evidential deep learning, we have developed a new Python package, Machine Integration and Learning for Earth Systems (MILES) group Generalized Uncertainty for Earth System Science (GUESS) (MILES-GUESS) ( https://github.com/ai2es/miles-guess ), that enables users to train and evaluate both evidential and ensemble deep learning. Significance Statement This study demonstrates a new technique, evidential deep learning, for robust and computationally efficient uncertainty quantification in modeling the Earth system. The method integrates probabilistic principles into deep neural networks, enabling the estimation of both aleatoric uncertainty from noisy data and epistemic uncertainty from model limitations using a single model. Our analyses reveal how decomposing these uncertainties provides valuable insights into reliability, accuracy, and model shortcomings. We show that the approach can rival standard methods in classification and regression tasks within atmospheric science while offering practical advantages such as computational efficiency. With further advances, evidential networks have the potential to enhance risk assessment and decision-making across meteorology by improving uncertainty quantification, a longstanding challenge. This work establishes a strong foundation and motivation for the broader adoption of evidential learning, where properly quantifying uncertainties is critical yet lacking.

Schreck, John S.↗
DOE OSTI2023

Porting the WAVEWATCH III (v6.07) wave action source terms to GPU

Abstract. Surface gravity waves play a critical role in several processes, including mixing, coastal inundation, and surface fluxes. Despite the growing literature on the importance of ocean surface waves, wind–wave processes have traditionally been excluded from Earth system models (ESMs) due to the high computational costs of running spectral wave models. The development of the Next Generation Ocean Model for the DOE’s (Department of Energy) E3SM (Energy Exascale Earth System Model) Project partly focuses on the inclusion of a wave model, WAVEWATCH III (WW3), into E3SM. WW3, which was originally developed for operational wave forecasting, needs to be computationally less expensive before it can be integrated into ESMs. To accomplish this, we take advantage of heterogeneous architectures at DOE leadership computing facilities and the increasing computing power of general-purpose graphics processing units (GPUs). This paper identifies the wave action source terms, W3SRCEMD, as the most computationally intensive module in WW3 and then accelerates them via GPU. Our experiments on two computing platforms, Kodiak (P100 GPU and Intel(R) Xeon(R) central processing unit, CPU, E5-2695 v4) and Summit (V100 GPU and IBM POWER9 CPU) show respective average speedups of 2× and 4× when mapping one Message Passing Interface (MPI) per GPU. An average speedup of 1.4× was achieved using all 42 CPU cores and 6 GPUs on a Summit node (with 7 MPI ranks per GPU). However, the GPU speedup over the 42 CPU cores remains relatively unchanged (∼ 1.3×) even when using 4 MPI ranks per GPU (24 ranks in total) and 3 MPI ranks per GPU (18 ranks in total). This corresponds to a 35 %–40 % decrease in both simulation time and usage of resources. Due to too many local scalars and arrays in the W3SRCEMD subroutine and the huge WW3 memory requirement, GPU performance is currently limited by the data transfer bandwidth between the CPU and the GPU. Ideally, OpenACC routine directives could be used to further improve performance. However, W3SRCEMD would require significant code refactoring to make this possible. We also discuss how the trade-off between the occupancy, register, and latency affects the GPU performance of WW3.

58 GEOSCIENCES↗
DOE OSTI2022

Long-term trends of impacts of global gasoline and diesel emissions on ambient PM 2.5 and O 3 pollution and the related health burden for 2000–2015

Global economic development and urbanization during the past two decades have driven the increases in demand of personal and commercial vehicle fleets, especially in developing countries, which has likely resulted in changes in year-to-year vehicle tailpipe emissions associated with aerosols and trace gases. However, long-term trends of impacts of global gasoline and diesel emissions on air quality and human health are not clear. In this study, we employ the Community Earth System Model in conjunction with the newly developed Community Emissions Data System as anthropogenic emission inventory to quantify the long-term trends of impacts of global gasoline and diesel emissions on ambient air quality and human health for the period of 2000–2015. Global gasoline and diesel emissions contributed to regional increases in annual mean surface PM 2.5 (particulate matter with aerodynamic diameters ≤2.5 μm) concentrations by up to 17.5 and 13.7 µg m –3 , and surface ozone (O 3 ) concentrations by up to 7.1 and 7.2 ppbv, respectively, for 2000–2015. However, we also found substantial declines of surface PM 2.5 and O 3 concentrations over Europe, the US, Canada, and China for the same period, which suggested the co-benefits of air quality and human health from improving gasoline and diesel fuel quality and tightening vehicle emissions standards. Globally, we estimate the mean annual total PM 2.5- and O 3 -induced premature deaths are 139 700–170 700 for gasoline and 205 200–309 300 for diesel, with the corresponding years of life lost of 2.74–3.47 and 4.56–6.52 million years, respectively. Diesel and gasoline emissions create health-effect disparities between the developed and developing countries, which are likely to aggravate afterwards.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Poleward Migration of the Latitude of Maximum Tropical Cyclone Intensity—Forced or Natural?

Abstract Past studies have shown a significant observed poleward trend in the latitude at which tropical cyclones reach their lifetime maximum intensity (LMI), especially in the northwest Pacific basin. Given the brevity of the historical record, it remains difficult to separate the forced trend from internal variability of the climate system. A recently developed tropical cyclone downscaling model is used to downscale the Community Earth System Model, version 2 (CESM2), preindustrial control simulation. It is found that the observed trend in the latitude at which tropical cyclones reach their LMI in the northwest Pacific is very unlikely to be caused by internal variability. The same downscaling model is then used to downscale CESM2 simulations under historical forcing. The resulting trend distribution shows a significant poleward migration of tropical cyclone LMI even after regressing out both natural variability and the part of the forced warming pattern that projects onto natural variability. The results indicate that the observed poleward migration of the latitude at which tropical cyclones reach their LMI in the northwest Pacific basin is likely to be, at least in part, forced. However, the magnitude of the projected poleward trend in climate models can be significantly modulated by the simulated spatial pattern of ocean warming. This highlights how discrepancies between models and observations, with regard to projected changes to the equatorial zonal sea surface temperature gradient under anthropogenic forcing, can lead to large uncertainties in projected changes to the LMI latitude of tropical cyclones. Significance Statement Observations in the northwest Pacific basin show that the latitude at which tropical cyclones are at their most intense has been trending northward in the recent half century. These changes are important since tropical cyclones could bring hazardous weather to coastal areas that are poorly equipped to handle them. Here, we show that natural variations in Earth’s climate are very unlikely to explain the observed poleward trend in the latitude that tropical cyclone reach their maximum intensity. We find that it is much more likely that the observed trend is forced by human-related emissions, though the spatial pattern of warming in response to greenhouse emissions can have significant impacts on the magnitude of the trend.

Lin, Jonathan↗
DOE OSTI2020

Improving Predictability of Mixed-Phase Clouds and Aerosol Interactions in the Community Earth System Model (CESM) with ARM Measurements

The objective of this project is to improve the simulation and predictability of mixed-phase clouds and aerosol interactions in the Community Earth System Model (CESM) through comparisons with the DOE ARM observations. There are four major goals of the proposed study: (1) Improve the representation of ice microphysical processes in mixed-phase clouds; (2) Develop a long-term multi-sensor mixed-phase cloud dataset; (3) Test the performance of improved ice microphysics in CESM-CAM5 with the ARM data; and (4) Examine mixed-phase cloud microphysics-aerosol-dynamics-radiation interactions in CESM-CAM5. In this project, we have (1) Improved the representation of ice microphysical processes in mixed-phase clouds that include ice nucleation, ice depositional growth through the Wegener–Bergeron–Findeisen (WBF) process, feedbacks between cloud microphysics, dynamics and radiation, and provides links to aerosol properties in the Community Earth System Model (CESM)-Community Atmosphere Model version 5 (CAM5); (2) Developed a long-term multi-sensor mixed-phase cloud dataset. The mixed-phase cloud retrieval algorithms are improved by refining the phase determinations and ice number concentration retrievals. A multi-year mixed-phase cloud observation dataset (1999-2004; October 2013-February 2017) is regenerated at the ARM Barrow site with the improved algorithms. The dataset has been used in the global model evaluation to improve the model parameterizations; (3) Tested the performance of improved ice microphysics in CESM-CAM5 with the ARM data. CESM-CAM5 is run in the DOE Cloud-Associated Parameterizations Testbed (CAPT) and in the single-column model (SCM) mode to facilitate comparison with ARM observations. Multi-year CAPT simulations of seasonal variations of cloud microphysical properties, cloud liquid water path (LWP) and ice water path (IWP), cloud longwave and shortwave forcings, cloud occurrence frequency are evaluated against the ARM multi-sensor mixed-phase cloud retrievals; and (4) Examined mixed-phase cloud microphysics-aerosol-dynamics-radiation interactions in CESM-CAM5 that include the impacts of different ice nucleation mechanisms, sensitivity to dust IN concentration, treatment of the WBF process on mixed-phase cloud properties. Aerosol effect on mixed-phase clouds through the liquid phase (droplet activation) and ice phase processes (e.g., the glaciation indirect effect) is investigated.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Peatland hydrology across scale: a probabilistic framework for confronting variability, heterogeneity, and uncertainty (Final Report)

Our project aimed to guide the representations of peatland hydrology and water-carbon feedbacks within Earth System Models, by improving process understanding and developing parsimonious models that elucidate the effects of hydroclimatic variability and spatial heterogeneity. Our research questions centered on the three key drivers of peatland hydrology: (1) seasonal and interannual hydroclimatic fluctuations, (2) spatial heterogeneity of peatland microtopography, and (3) hydrological connectivity across landscape units within a peatland watershed. Our analyses and model testing used existing long-term datasets within the Marcell Experimental Forest (MEF), with new data collected whenever necessary. To date, we have demonstrated the strong influence of water table elevations on the temperature sensitivity of CH 4 emissions, using a newly developed eddy covariance dataset spanning eleven years at MEF. Specifically, higher water tables dampen the increase in CH 4 emissions in the spring as well as their decrease in the fall, resulting in hysteresis. These results imply that any hydroclimatological changes in peatlands that shift seasonal water availability from winter to summer will increase annual CH 4 emissions, even if soil temperature remains unchanged. To further investigate water table elevation change within the peatland microtopography, we installed automated water table gauges across four bog-forest transects (the “lagg”) in two peatland watersheds at MEF, which are hotspots of intense biogeochemical activity. These measurements will give us new information about the extent of lagg expansion and contraction during snowmelt and high intensity rainfall events, as well as the directionality of water and nutrient flow into the bog from the surrounding forests. Finally, we investigated the hydrological connectivity across the peatland watershed complex during early spring – a critical period where water table is elevated from snowmelt – using extended hydrological records from MEF (e.g., snow and frost depths, water table elevations, streamflow). The importance of thermal and wintertime processes within the Energy Exascale Earth System Model (E3SM) was determined through sensitivity analyses. Results from data analyses show that (i) streamflow has decreased over decades likely due to increased evapotranspiration rates (despite no detectable trends in precipitation), (ii) spring streamflow generation is controlled by a sequence of fill-and-spill pathways from the snowpack to the stream through peatland water stores, and (iii) frost depth is a key explanatory variable for the timing and magnitude of streamflow. These results suggest that frost plays an important role in connecting surface water storage in peatlands to stream outlets, and that the hydrological connectivity across the peatland watershed complex can mediate the sensitivity of hydrological responses to climate variations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Data and scripts associated with “Sequential Precipitation Input Tagging (SPIT) to Estimate Water Transit Times and Hydrologic Tracer Dynamics within Water-Tagging Enabled Hydrologic Models” (v3)

This data package is associated with the publication “Sequential Precipitation Input Tagging (SPIT) to Estimate Water Transit Times and Hydrologic Tracer Dynamics within Water-Tagging Enabled Hydrologic Models” submitted to Journal of Advances in Modeling Earth Systems (Butler et al. 2025). This study developed the Sequential Precipitation Input Tagging (SPIT) framework to tag input precipitation and estimate water transit times and hydrologic tracers. SPIT tags all precipitation events at regular intervals over an extended period (monthly tags over seven years) in a hydrologic model from 2016-2022. SPIT is applied at six National Ecological Observatory Network (NEON) sites across the continental United States to calculate transit time distributions (TTD) and derive from these mean transit times (MTT), fractions of young water (Fyw), and hydrologic tracer concentrations in stream water (δ18O) within a water-tagging enabled version of the Weather Research and Forecast (WT-WRF-Hydro) model with national water model (NWM) configurations. We go on to validate WT-WRF-Hydro estimates against Butler et al. (2023), who analyzed the same NEON sites using stable water isotope data to estimate water transit times. This new tracking method provides a detailed picture of water movement and helps improve predictions about water availability in the future. This data package was originally published in January 2025. It was updated May 2025 (v2; new and modified files) and October 2025 (v3; new and modified files). File and folder names were not revised to indicate changes. See the change history section in the readme for more details. This data package contains the data and scripts used to develop the SPIT framework WT-WRF-Hydro (Water Tagging Weather Research and Forecasting Hydrologic) model and is associated with the following GitHub repository: https://github.com/zbutler33/SPIT-Framework. This data package contains five parent folders: (1) “Manipulated_outputs”, (2) “Metadata”, (3) “Observed”, (4) “Outputs”, and (5) “Scripts”. Each of these parent folders contains additional subfolders and files. Please see the FLMD (“v*_Butler_2024_WT_WRF_Hydro_flmd.csv”) for a list of all the files contained in this data package and descriptions for each. See the data dictionary (“v*_Butler_2024_WT_WRF_Hydro_dd.csv”) for definitions and units of all of the tabular (files ending in “.csv” and ".tsv") column headers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Knowledge-guided machine learning can improve carbon cycle quantification in agroecosystems

Abstract Accurate and cost-effective quantification of the carbon cycle for agroecosystems at decision-relevant scales is critical to mitigating climate change and ensuring sustainable food production. However, conventional process-based or data-driven modeling approaches alone have large prediction uncertainties due to the complex biogeochemical processes to model and the lack of observations to constrain many key state and flux variables. Here we propose a Knowledge-Guided Machine Learning (KGML) framework that addresses the above challenges by integrating knowledge embedded in a process-based model, high-resolution remote sensing observations, and machine learning (ML) techniques. Using the U.S. Corn Belt as a testbed, we demonstrate that KGML can outperform conventional process-based and black-box ML models in quantifying carbon cycle dynamics. Our high-resolution approach quantitatively reveals 86% more spatial detail of soil organic carbon changes than conventional coarse-resolution approaches. Moreover, we outline a protocol for improving KGML via various paths, which can be generalized to develop hybrid models to better predict complex earth system dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Improving the interface processes in the DOE/ACME model (Final Report)

This is the Final Report of our 4-year Energy Exascale Earth System Model (E3SM) project (3 years for the original project + 1-year no-cost extension). The overall objective of our project is to improve the interface processes in the E3SM. Two overarching questions have been addressed: 1) What are the major deficiencies of the (land-atmosphere, ocean-atmosphere, land-ocean, and snow-sea ice) interface processes in E3SM? 2) How can we improve the treatment of these deficiencies in E3SM? Four tasks have been carried out: to evaluate and improve the land–atmosphere coupling in E3SM; to evaluate and improve the ocean–atmosphere coupling in E3SM; to evaluate and improve the land–ocean coupling in E3SM; and to evaluate and improve the snow–sea ice coupling in E3SM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Using probability distribution function as a scaling approach to incorporate soil heterogeneity into biogeochemical models for greenhouse gas predictions (Final Technical Report)

The project investigated biogeochemical processes at terrestrial-aquatic interfaces (TAIs), focusing on soil microsite heterogeneity and its impact on greenhouse gas (GHG) fluxes. Using laboratory experiments, modeling, and data integration, researchers explored redox-driven microbial processes under fluctuating hydrological conditions. Key advancements included modifying the DAMM-GHG model to incorporateelectron acceptor availability and enhancing the AquaMEND model for improved microbial metabolism representation. Results highlighted microsite redox variability as a key driver of GHG fluxes, informing Earth system models. The project fostered interdisciplinary collaborations, student training, and the development of novel modeling frameworks to improve Earth'senergy budget.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Large-scale offshore wind farm effects on weather and climate in Puerto Rico (Final Technical Report)

Puerto Rico’s current electricity generation heavily relies on imported fossil fuels. This results in an average cost of electricity higher than the U.S. mainland average in all sectors (residential, commercial, and industrial), despite abundant local offshore wind resources, which have the potential to provide secure, low-cost energy generation and consequent economic prosperity. However, effects on atmospheric and oceanic circulation resulting from large-scale deployments of offshore wind farms have not been previously studied at tropical latitude. This project addressed this knowledge gap through a computational modeling effort designed to capture the coupled dynamics of the atmosphere and the ocean in presence of offshore wind farms. Results indicate that wind farm wakes can alter wind stress, generate Ekman-driven vertical transport, and potentially affect nutrient distribution. While full model coupling remains challenging, progress in parameterization and large-eddy simulations provides a foundation for future research. The project contributes to DOE’s Earth System modeling efforts and supports STEM workforce development.

17 WIND ENERGY↗