Data-Driven Reduced Ordering Modeling for Warm Rain Microphysics
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Computer science↗
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Automated and Accelerated Continuum Model Development for Electrochemical Systems (Abbreviated Report)
Despite the availability of computational resources and advancements in numerical computing capabilities, the multiscale models core to understanding, predicting the behaviors of, and designing energy and environmental systems involving porous media are still 1.) developed through by-hand derivations and 2.) limited by many methodological assumptions employed during model derivation. As a result, the advancement of effective media models for engineering DOE mission-critical systems (e.g., batteries, flow batteries, electrolyzers, geothermal systems, subsurface chemical storage systems, etc.) is slow (i.e., it takes years for models to traverse from stages of “development” to “practical utilization”), hindering our ability to effectively optimize such systems and stay at the cutting-edge of the energy frontier. In this work, we aimed to address these limitations by 1.) automating and accelerating multiscale model derivation via symbolic computing and 2.) develop a novel multiscale modeling methodology for flow and transport through porous media that avoids the typical assumptions hindering previous models. As a result of our efforts, we 1.) developed a hybrid symbolic-numeric code called Fouriera for fully-automating the implementation of multiphysical and phase-field models via the Fourier spectral method for materials science research, and 2.) advanced a multiscale modeling methodology called The Method of Finite Averages that rigorously predicts the behaviors of flow and transport through heterogeneous porous media under the influence of non-local effects and strong advection. Ultimately, these deliverables provide strong foundations from which further efforts can advance multiscale modeling tools and capabilities that do not intrinsically rely on 1.) the speed and mathematical capabilities of humans, nor 2.) the methodological assumptions limiting current models.
36 MATERIALS SCIENCE↗
Observing atmospheric gravity waves from the Space Station
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Mathematics and Computing, Geosciences, Environmen↗
E3SM: Improved Climate Prediction with Exascale Capability
The Energy Exascale Earth System Model (E3SM) project is an ongoing, state-of-the-science earth system modeling, simulation, and prediction effort that optimizes Department of Energy (DOE) computing resources to meet the science needs of the nation and the agency’s mission objectives. Climate simulation has become a proven tool for identifying and quantifying the impacts of climate change, but even greater accuracy is required at all levels to improve forecast precision. Understanding the impact of climate change on global and regional water cycles is one of the highest priorities and most difficult challenges in climate change prediction. As part of a subproject of DOE’s Exascale Computing Project, a multidisciplinary team including geophysical and computational scientists developed a multiscale modeling framework (MMF) to refine cloud representation in E3SM climate simulation on GPU accelerated supercomputers, making higher resolution, more computationally efficient predictions possible.
54 ENVIRONMENTAL SCIENCES↗
Analyzing Complex Energy Security Systems [Slides]
Motivation: DOE is investing in our technology for improving Energy Security; Many of these problems are grand challenges requiring moonshot type efforts; The geoscience paradigm is shifting from data sparse to data rich requiring us to take advantage of the latest computational and AI to tools optimize these systems.
54 ENVIRONMENTAL SCIENCES↗
Omega, the Ocean Model for E3SM Global Applications: A new high-performance computing code for exascale architectures
Omega version 0, the first step toward a new ocean model, has been developed to take full advantage of next-generation supercomputers, including those powered by GPUs. Omega is rebuilt from the ground up, redesigning computational aspects of ocean models to run faster and more efficiently across diverse high-performance computing systems.
54 ENVIRONMENTAL SCIENCES↗
Motion Dynamics of Motile Microbes in Pore-Networks and its Implications for Reactive Transport Processes
This report outlines new methods to improve simulations of microbial transport and microbially mediated reactions in porous media. A range of experimental, modeling, and machine learning tools are introduced to make these simulations faster, more reliable, and useful for real-world applications. At the microscopic level, the study investigates how different types of bacteria move through confined spaces. A new artificial intelligence tool called DeepTrackStat, is introduced to track motions dynamics as observed in videos of particles migrating through pore networks. This tool is especially helpful for studying fast-moving microbes and requires less computing power than traditional tracking methods. At larger scales, the research looks at how microbes and chemicals interact in zones where surface water and groundwater meet. To connect the small- and large-scale findings, the study presents a neural network model called STAMNet. This tool helps scale up detailed small-scale microbial motion behaviors to predict large-scale environmental changes more efficiently. By combining lab experiments, computer models, and artificial intelligence, the research presented supports smarter environmental decision-making, especially in bioremediation of contaminated groundwater and protection of water quality.
54 ENVIRONMENTAL SCIENCES↗
Grain2Mesh: Mesh Generation for Grain-Scale Nonlinear Elasticity Modeling
The nonlinear hysteretic behavior of rocks under cyclic loading is a crucial area of study in geomechanics. The macroscopic response of a variety of materials has been found to be contingent upon the behavior of the micro-scale structure. This project aims to develop a functional and maintainable software package for generating a multi-phase numerical mesh and accompanying simulation files for finite element modeling used in computational mechanics solvers. Meshes generated from images often lack key preprocessing that reduces noise and prevents mesh element distortion that can increase computational cost. By incorporating user feedback throughout, grain2mesh ensures a high-fidelity mesh that can be used to model grain-scale interactions such as shearing, crack propagation, and interfacial material contrast. Scientific applications of this software include material fracturing, stress-strain analysis for natural and engineered materials, and nonlinear meso-scale analysis.
54 ENVIRONMENTAL SCIENCES↗
A nonhydrostatic formulation for MPAS-Ocean
The Model for Prediction Across Scales-Ocean (MPAS-Ocean) is an open-source, global ocean model and is one component of a family of climate models within the MPAS framework, including atmosphere, sea-ice, and land-ice models. Here, in this work, a new formulation for the ocean model is presented that solves the nonhydrostatic, incompressible Boussinesq equations on an unstructured, staggered, z-level grid. The introduction of this nonhydrostatic capability is necessary for the resolution of internal wave dynamics and large eddy simulations. Compared to the standard, hydrostatic formulation, a nonhydrostatic pressure solver and a vertical momentum equation are added, where the PETSc (Portable Extensible Toolkit for Scientific Computation) library is used for the inversion of a large sparse system for the nonhydrostatic pressure. Numerical results on a stratified seiche, internal solitary wave, overflow and lock-exchange test cases are presented, and the parallel efficiency of the code is evaluated using up to 1024 processors.
3D Poisson equation↗
A nonhydrostatic formulation for MPAS-Ocean
The Model for Prediction Across Scales-Ocean (MPAS-Ocean) is an open-source, global ocean model and is one component of a family of climate models within the MPAS framework, including atmosphere, sea-ice, and land-ice models. Here, in this work, a new formulation for the ocean model is presented that solves the nonhydrostatic, incompressible Boussinesq equations on an unstructured, staggered, z-level grid. The introduction of this nonhydrostatic capability is necessary for the resolution of internal wave dynamics and large eddy simulations. Compared to the standard, hydrostatic formulation, a nonhydrostatic pressure solver and a vertical momentum equation are added, where the PETSc (Portable Extensible Toolkit for Scientific Computation) library is used for the inversion of a large sparse system for the nonhydrostatic pressure. Numerical results on a stratified seiche, internal solitary wave, overflow and lock-exchange test cases are presented, and the parallel efficiency of the code is evaluated using up to 1024 processors.
3D Poisson equation↗
CMIP6-based Multi-model Streamflow Projections over the Conterminous US, Version 1.1
This dataset presents an ensemble of streamflow projections covering the conterminous United States (CONUS), developed to support the SECURE Water Act Section 9505 Assessment for the US Department of Energy (DOE) Water Power Technologies Office (WPTO). Multiple Coupled Models Intercomparison Project phase 6 (CMIP6) Global Climate Models (GCMs) were downscaled using either statistical (DBCCA) or dynamical (RegCM) downscaling methods, based on two meteorological reference datasets (Daymet and Livneh). Subsequently, the downscaled precipitation, temperature, and wind speed data were used to drive two calibrated hydrologic models (VIC and PRMS), with total runoff routed through the Routing Application for Parallel computatIon of Discharge (RAPID) routing model, producing an ensemble of streamflow projections across 2.7 million NHDPlusV2 stream reaches across the CONUS. Each ensemble member covers the 1980-2019 baseline and 2020-2059 near-future periods under the high-end (SSP585) emission scenario. Additionally, using only DBCCA and Daymet, the projections extend to the 2060-2099 far-future period and encompass three additional emission scenarios (SSP370, SSP245, and SSP126). This dataset is designed to support the SECURE Water Act Section 9505 Assessment for the US Department of Energy (DOE) Water Power Technologies Office (WPTO). For further details, refer to Kao et al. (2022), Rastogi et al. (2022), and Ghimire et al. (2023).
13 HYDRO ENERGY↗
The Scaling and Units of the Elastic Response Term for Rayleigh Waves that is Output by Computer Programs in Seismology (CPS)
We report on the scaling and units of the Rayleigh wave elastic response function A R (ω) that is output from the widely used Computer Programs in Seismology (CPS) to aid in the modeling of ground motion sourced by atmospheric explosions. The program uses mixed units (km, second, km/s, gm/cc) to keep A R (ω) near 10 0 and prevent any numerical underflow or overflow. We compare two models for the response of an elastic half space to the output from CPS. Our application inputs the recommended, mixed unit geological models to determine how researchers must scale this output to obtain physical units for A R (ω) that represents the amplitude scaling for the minimum group velocity (Airy phase) contribution to Rayleigh waves. We determine that a CPS user must scale the output for A R (ω) by 10 -12 (m/km) 2 (g/cc/m 3 /kg) to obtain MKS (meter, kg, second) units and then must multiply this result by the vertical component eigenfunction squared, that is evaluated at the free surface.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
Artificial Intelligence-Enhanced CMIP6 Climate Projections Across the Conterminous United States
This dataset comprises high-resolution climate projections at 1/24 degree grid (~4km) over the conterminous United States (CONUS) based on ten Global Climate Models (GCMs) that are part of the Coupled Models Intercomparison Project phase 6 (CMIP6). The CMIP6 GCMs are downscaled using two artificial intelligence (AI) techniques, primarily based on the computer vision approach called super-resolution. We train two separate networks: super-resolution convolutional neural network (SRCNN) and super-resolution generative adversarial network (SRGAN). The networks are trained using Daymet observations, originally available at a 1 km resolution. For training purposes, the Daymet data is interpolated to 1/24 degree (~4km), 0.25 degree and 1 degree, which serve as high, intermediate and low-resolution inputs respectively. For each of the SRCNN and SRGAN network, we use a two-step resolution enhancement, the first step generates 4x refinement from 1 degree to 0.25 degree and the second step generates 6x refinement from 0.25 degree to 1/24 degree (~4km). We downscale daily scale precipitation, maximum temperature and minimum temperature for the six CMIP6 GCMs for 1980 to 2019 in the historical period and 2020 to 2059 in the near-term future under the shared socioeconomic pathway 585 and 245 (SSP585 and SSP245) emission scenarios. We also perform double bias-correction with Daymet observations using a quantile mapping approach, first for GCMs prior to making predictions at 1 degree grid and second after making final predictions at ~4km.
13 HYDRO ENERGY↗
Seawater Acidification and Bubble Plume Dispersion from Accidental Subsea CO 2 Pipeline Rupture: A Multiphase CFD Study
If a CO 2 reservoir or transmission pipeline were to leak, both the surrounding ecology and maritime traffic safety could be put at risk. To better understand and prepare for this risk, multiphase Computational Fluid Dynamics (CFD) models were built in ANSYS Fluent to capture the behavior of a leak once it enters the water. A 3D Eulerian–Eulerian model was used for validation, while a simplified 2D model was applied to simulate conditions at a 50-m depth. The models integrate bubble dynamics, gas holdup, CO 2 dissolution, dissolved species transport, and seawater acidification into a unified CFD framework. Mass transfer was calculated using the Hughmark correlation, and local seawater temperature and salinity were factored in to determine dissociation behavior and the relevant Henry’s Law constant. To confirm the 3D model’s accuracy, results were checked against two experimental datasets: the QICS field study and the Hauser Tank experiments. The team also modeled a hypothetical release scenario at the High Island 10L site and compared the results with earlier published work. The results show that at a depth of 50 m, the surrounding water column can completely absorb a CO 2 release at a rate of 35 kg/s, since the gas dissolves into the seawater as it rises toward the surface. Beyond confirming this mitigation capacity, the simulations shed light on how a leak would actually unfold in the environment, including the shape and movement of the rising bubble plume, how much CO 2 dissolves along the way, and the resulting shifts in seawater pH and pCO 2 . Together, this provides a practical framework for assessing how CO 2 leaks could affect marine environments in the Gulf of Mexico.
54 ENVIRONMENTAL SCIENCES↗
The Influence of Climate Variability and Future Climate Change on Atlantic Hurricane Season Length
Abstract Atlantic hurricane season length is important for emergency management preparation, motivating the need to understand its variability and change. We investigated the influence of ocean variability on Atlantic hurricane season length in observations and a future climate simulated by the Energy Exascale Earth System Model (E3SM). We found that multiple factors influence hurricane season length, through their influence on season start and end. Warm western subtropical Atlantic sea‐surface temperature anomalies (SSTAs) during boreal spring (before the official hurricane season start) drive early starts to the hurricane season, and vice versa for cool SSTAs. Meanwhile, La Niña in autumn (before the official hurricane season end) drives late ends to the hurricane season, and vice versa for El Niño. E3SM projects a 27‐day increase in future Atlantic hurricane season length given La Niña and warm northern tropical Atlantic SSTAs. This research documents sources of predictability for Atlantic hurricane season length.
54 ENVIRONMENTAL SCIENCES↗
Effects of Pollen on Hydrometeors and Precipitation in a Convective System
Anemophilous (wind-driven) pollen is one type of primary biological aerosol particle, which can rupture under high humidity conditions and form smaller sub-pollen particles (SPPs). Both pollen and SPPs can reach the upper troposphere under convective conditions, acting as cloud condensation nuclei (CCN) and ice nucleating particles (INPs), thus influencing cloud formation and precipitation. However, the impacts of these biological aerosols on cold cloud formation and local climate remain unclear as there are large uncertainties on their emission flux and ice nucleating abilities. Here, we incorporate pollen emission and rupture processes in the Weather Research and Forecasting Model with Chemistry (WRF-Chem) simulations and update the Morrison microphysics scheme within WRF-Chem using aerosol-aware INP parameterizations to account for pollen in addition to other anthropogenic and biogenic aerosol. INP parameterizations for pollen and SPP are derived from laboratory experiments. When including pollen rupture rates as observed in a series of chamber studies, SPP concentrations increase, leading to an increase of cloud ice and water by up to 50% and potentially extending the duration of the convective system. Among all simulated hydrometeors, graupel and raindrops exhibit the largest enhancements from the inclusion of SPPs, with intensifying precipitation at the backside of the convective system and a greater spatial extent. Sensitivity simulations indicate that SPPs have a greater effect on cloud microphysical processes than whole pollen grains, and further observational evidence is needed to constrain these processes.
54 ENVIRONMENTAL SCIENCES↗
CMIP6-based Multi-model Hydroclimate Projection over the Conterminous US, Version 1.1
This dataset presents a suite of high-resolution downscaled hydro-climate projections over the conterminous United States (CONUS) based on multiple selected Global Climate Models (GCMs) from the Coupled Models Intercomparison Project phase 6 (CMIP6). The CMIP6 GCMs are downscaled using either statistical (DBCCA) or dynamical (RegCM) downscaling approaches based on two meteorological reference datasets (Daymet and Livneh). Subsequently, the downscaled precipitation, temperature, and wind speed are employed to drive two calibrated hydrologic models (VIC and PRMS), enabling the simulation of projected future hydrologic responses across the CONUS. Each ensemble member covers the 1980-2019 baseline and 2020-2059 near-future periods under the high-end (SSP585) emission scenario. Moreover, utilizing only DBCCA and Daymet, the projections are further extended to the 2060-2099 far-future period and across three additional emission scenarios (SSP370, SSP245, and SSP126). This dataset is formulated to support the SECURE Water Act Section 9505 Assessment for the US Department of Energy (DOE) Water Power Technologies Office (WPTO). For further details on this dataset, please refer to Kao et al. (2022) and Rastogi et al. (2022).
13 HYDRO ENERGY↗
Gridded Sub-daily Climate Forcings for North America Based on Daymet and GSWP3 (Daymet-GSWP3)
To support high spatial and temporal resolution land surface modeling, this dataset provides 3-hourly time step historic weather forcing at 1-km spatial resolution for the entire North America. The latest Daymet V4 data provides gridded historic daily weather observations at 1-km spatial resolution from 1980 to 2014. Using sub-daily temporal information from the Global Soil Wetness Project Phase 3 (GSWP3), Daymet was further temporally downscaled to 3-hourly time steps and provided in the format required for land surface model simulations. The process of temporal downscaling preserves the relative magnitude in each sub-daily time step from GSWP3 while maintaining the total and average values from Daymet for each day. This results in a blended 1980-2014 Daymet-GSWP3 dataset. Available variables include surface air temperature, precipitation, specific humidity, shortwave and longwave radiation, wind speed, and pressure. These data can be used as a high-resolution meteorological forcing dataset to support high-resolution land surface modeling where accurate meteorological forcing datasets built from historic observations and/or reanalysis datasets are desirable.
54 ENVIRONMENTAL SCIENCES↗