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At least 613 records · Page 34

Semi-automated Design of Artificial Intelligence Earth Systems Models

Prediction and observation of water cycles at various scales involve not only patterns isolated in space and time, but also modeling of complex spatio-temporal relationships across multiple domains. For instance, evapotranspiration (ET) and leaf area indexes (LAI) are two parameters that are needed to accurately model and understand land-atmosphere processes. Accurate assessments of ET and LAI are critical for understanding hydrological processes, deforestation, crop yield, and irrigation impacts. However, ET estimates for global simulations are available at very coarse spatial resolution. They are usually derived from satellite data based on broad plant functional types (PFTs), which fail to capture fine-scale variations because of changes in vegetation type across the globe. Similarly LAI estimates have typically been derived from vegetation indices at global scales or estimated locally using physical models, both of which suffer from a range of uncertainties that impact model sensitivity. The new era of AI model development for Earth systems (ES) calls for data-driven methods that provide domain scientists with uncertainty-aware estimations of biophysical parameters such as ET and LAI in a generalizable, interpretable, and discoverable manner.

54 ENVIRONMENTAL SCIENCES↗

Assessment of the impacts of renewable energy variability in long-term decarbonization strategies

To meet the nationally determined contributions proposed by the countries that signed the Paris Agreement, investments must be made in renewable generation technologies such as solar and wind. However, due to their high variability, these technologies pose challenges in terms of meeting demand or generating excess electricity. For this reason, energy system models are designed to capture this variability by considering flexibility technologies. Nevertheless, it is important to note that some energy system models lack integration with other sectors. Therefore, integrated assessment models have been employed to evaluate mitigation strategies, as they endogenously consider the linkages between energy and non-energy sectors. In addition, due to their complexity, these models do not account for the variability of renewable resources. Hence, this research aims to address this issue. Here, this work represents the first attempt to evaluate how the introduction of hourly resolution affects the outcomes of integrated assessment models, specifically focusing on the Global Change Analysis Model (GCAM). We employ a soft-linking approach between the GCAM and the Highway to Renewable Energy Systems model (H2RES, an hourly level energy system model) to accomplish this. The proposed approach is tested using Chile’s Nationally Determined Contributions under different hydrological profiles in the power sector. The results show that it is possible to use the capacity obtained from the Global Change Analysis Model and implement it on an hourly scale. However, the feasibility of implementation depends on high levels of flexibility technologies, such as battery energy storage. When given the choice of investments in renewable sources and flexible technologies, the optimal dispatch of the H2RES model show small differences than those obtained by GCAM-Chile. H2RES differs from GCAM-Chile in approximately 5% for wind and 3% for solar electricity generation in the year 2050. However, feasible integration of significant renewable sources is obtained with relatively high Critical Excess Electricity Production levels, reaching 20% in 2050. This excess electricity is attributed to the necessity for flexible technologies to manage the intermittency of renewables sources when hourly profiles of such sources are considered.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Computational modeling of microalgal biofilm growth in heterogeneous rotating algal biofilm reactors (RABRs) for wastewater treatment

Rotating algal biofilm reactors (RABRs) are innovative systems designed to cultivate microalgae biofilms efficiently. In this paper, we have developed a novel mathematical model to accurately capture the growth dynamics of algae biofilms within RABR. By considering the spatial heterogeneity of the RABR, we introduce a PDE-based model that addresses the spatial variations across the substratum, enabling a more accurate simulation of biofilm growth in RABRs. The photosynthesis process is modeled through reactive kinetics, driving the growth of the algae biofilm. To analyze the system's behavior, we employ finite difference numerical methods to solve the complex PDE model. We then conduct extensive numerical simulations to understand algae biofilm growth in the RABR environment under various operational factors and environmental conditions. One primary focus in these simulations is to investigate the impact of various harvesting strategies, harvesting frequencies, light intensity, and light exposure on the overall biomass productivity of the algae biofilm. The numerical results provide valuable insights into optimizing algae biofilm growth and designing harvesting techniques in RABR systems. Our proposed novel mathematical model provides an effective platform for the theoretical investigation and design of RABRs for wastewater treatment.

09 BIOMASS FUELS↗

Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation

We report the synthesis, characterization, and electrocatalytic water oxidation activity of two cobalt complexes, (6-FP)Co(NO 3 ) 2 (1) (6-FP = 8,8'-(1,2-phenylene)diquinoline) and (5-FP)Co(NO 3 ) 2 (2) (5-FP = 1,2-bis(N-7-azaindolyl)benzene), containing "capping arene" bidentate ligands with nitrogen atom donors. The cobalt complexes 1 and 2 were supported on ordered mesoporous carbon (OMC) by π-π stacking, resulting in heterogenized cobalt materials 6-FP-Co-OMC-1 and 5-FP-Co-OMC-2, respectively, and studied for electrocatalytic water oxidation. We find that 6-FP-Co-OMC-1 exhibits an overpotential of 355 mV for a current density of 10 mA cm -2 and a turnover frequency (TOF) of ~0.53 s -1 at an overpotential of 400 mV at pH 14. 6-FP-Co-OMC-1 exhibits activity that is ~1.6 times that of 5-FP-Co-OMC-2, which gives a TOF of 0.32 s -1 at 400 mV overpotential. The structural stability of the single-atom Co site was demonstrated for 6-FP-Co-OMC-1 using X-ray absorption spectroscopy for the molecular complex supported on OMC, but slow degradation in catalyst activity can be attributed to eventual formation of Co oxide clusters. DFT computations of electrocatalytic water oxidation using the molecular complexes as models provide a description of the catalytic mechanism. These studies reveal that the mechanism for O-O bond formation involves an intermediate Co IV oxo complex that undergoes an intramolecular reductive O-O coupling to form a Co II -OOH species. Further, the calculations predict that the molecular 6-FP-Co structure is more active for electrocatalytic water oxidation than 5-FP-Co, which is consistent with experimental studies of 6-FP-Co-OMC-1 and 5-FP-Co-OMC-2, highlighting the possibility that the ligand structure influences the catalytic activity of the supported molecular catalysts.

25 ENERGY STORAGE↗

Tri-Level Linear Programming Model for Automatic Load Shedding Using Spectral Clustering

Traditional load shedding schemes can be inadequate in grids with high renewable penetration, leading to unstable events and unnecessary grid islanding. Although for both manual and automatic operating modes load shedding areas have been predefined by grid operators, they have remained fixed, and may be sub-optimal due to dynamic operating conditions. In this work, a distributed tri-level linear programming model for automatic load shedding to avoid system islanding is presented. Preventing islanding is preferred because it reduces the need for additional load shedding besides the disconnection of transmission lines between islands. This is crucial as maintaining the local generation-demand balance is necessary to preserve frequency stability. Furthermore, uneven distribution of generation resources among islands can lead to increased load shedding, causing economic and reliability challenges. This issue is further compounded in modern power systems heavily dependent on non-dispatchable resources like wind and solar. The upper-level model uses complex power flow measurements to determine the system areas to shed load depending on actual operating conditions using a spectral clustering approach. The mid-level model estimates the area system state, while the lower-level model determines the locations and load values to be shed. The solution is practical and promising for real-world applications.

Baquedano-Aguilar, Mario D.↗

Community-Engaged Modeling of Urban Flood Adaptation Pathways

Climate change is intensifying the hydrologic cycle, leading to more frequent and severe rainfall-driven (pluvial) flooding in urban areas. In the mid-Atlantic US cities, aging and under-designed stormwater infrastructure is increasingly strained by these events, resulting in recurring damage to property and disruptions to transportation networks. In this study, we combine community engagement with hydrologic modeling to develop and evaluate potential urban flood adaptation strategies. Over a three-year period, local technical experts and community representatives met regularly to discuss flooding concerns, identify priorities, and co-develop adaptation strategies. These discussions informed the development of an urban flooding model (EPA Storm Water Management Model) for the Baltimore Harbor watershed, the focus location of this study. The flooding model integrates complex surface and subsurface stormwater infrastructure data, local expert knowledge, and community insights. We simulate stakeholder-prioritized adaptations, such as green and gray infrastructure strategies. Model results demonstrate that enhanced infrastructure maintenance is the most effective adaptation for reducing flood depths, but has varied effects across the watershed, and can increase flooding in some locations. Spatially concentrated greening provides limited benefit to the watershed as a whole, but moderate benefit in community priority areas. Together, these adaptations have the potential to reduce flood depths by as much as 58% in some locations, greatly reducing property damage and mobility impacts, primary concerns of stakeholders. Future work will implement robust optimization tools to search for adaptations which meet stakeholder objectives and perform highly under varied future climate conditions. This work contributes to the expanding literature on collaborative modeling and demonstrates that community-engaged approaches can enhance model credibility and generate more actionable insights for communities seeking to strengthen climate resilience.

Spangler, Ava [Pennsylvania State University] (ORC↗

Community-Informed Urban Flood Modeling for Impact Mitigation

Climate change is intensifying the hydrologic cycle, leading to more frequent and severe rainfall-driven (pluvial) flooding in urban areas. In the mid-Atlantic US cities, aging and under-designed stormwater infrastructure is increasingly strained by these events, resulting in recurring damage to property and disruptions to transportation networks. In this study, we combine community engagement with hydrologic modeling to develop and evaluate potential urban flood adaptation strategies. Over a three-year period, local technical experts and community representatives met regularly to discuss flooding concerns, identify priorities, and co-develop adaptation strategies. These discussions informed the development of an urban flooding model (EPA Storm Water Management Model) for the Baltimore Harbor watershed, the focus location of this study. The flooding model integrates complex surface and subsurface stormwater infrastructure data, local expert knowledge, and community insights. We simulate stakeholder-prioritized adaptations, such as green and gray infrastructure strategies. Model results demonstrate that enhanced infrastructure maintenance is the most effective adaptation for reducing flood depths, but has varied effects across the watershed, and can increase flooding in some locations. Spatially concentrated greening provides limited benefit to the watershed as a whole, but moderate benefit in community priority areas. Together, these adaptations have the potential to reduce flood depths by as much as 58% in some locations, greatly reducing property damage and mobility impacts, primary concerns of stakeholders. Future work will implement robust optimization tools to search for adaptations which meet stakeholder objectives and perform highly under varied future climate conditions. This work contributes to the expanding literature on collaborative modeling and demonstrates that community-engaged approaches can enhance model credibility and generate more actionable insights for communities seeking to strengthen climate resilience.

Baltimore MD↗

MOOSE-Workbench integration and MOOSE meshing capability enhancements to facilitate inputs and outputs for multiphysics modeling

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source framework that supports many of the US Department of Energy’s (DOE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) technical areas (TA). These TAs develop and use NEAMS physics and coupling modules in multiple ways to enable the research and development of complex physics models. In addition to the MOOSE framework, the NEAMS Workbench user interface provides a common analysis environment with user-interaction accelerators that streamline the tasks of model creation, review, execution, and out put inspection. In FY 2024, objectives were realized in the MOOSE framework application development support and user-oriented improvements. Application development improvements support both developers and users with an expanded Reactor Module and Mesh System, stateful material property support for mortar contact, and customizable convergence criteria. Additionally, new user-oriented features were implemented in the MOOSE framework language server, including autocompletion snippets, definition from source and find reference navigations, and syntax overrides. Lastly, improvements were made to the input interpreter necessary to support the MOOSE language server and the NEAMS Workbench so that they can interact with syntactically incomplete user inputs. These improvements and more were intended to address stakeholder feedback and improve developer and user ability to conduct advanced nuclear energy modeling and simulation in support of DOE and industry needs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MOOSE–Workbench Integration and MOOSE Meshing Capability Enhancements to Facilitate Inputs and Outputs for Multiphysics Modeling

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source framework that supports many of the US Department of Energy’s (DOE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) technical areas (TA). These TAs develop and use NEAMS physics and coupling modules in multiple ways to enable the research and development of complex physics models. In addition to the MOOSE framework, the NEAMS Workbench user interface provides a common analysis environment with user-interaction accelerators that streamline the tasks of model creation, review, execution, and output inspection. In FY 2024, objectives were realized in the MOOSE framework application development support and user-oriented improvements. Application development improvements support both developers and users with an expanded Reactor Module and Mesh System, stateful material property support for mortar contact, and customizable convergence criteria. Additionally, new user-oriented features were implemented in the MOOSE framework language server, including autocompletion snippets, definition from source and find reference navigations, and syntax overrides. Lastly, improvements were made to the input interpreter necessary to support the MOOSE language server and the NEAMS Workbench so that they can interact with syntactically incomplete user inputs. These improvements and more were intended to address stakeholder feedback and improve developer and user ability to conduct advanced nuclear energy modeling and simulation in support of DOE and industry needs.

97 - MATHEMATICS AND COMPUTING↗

Coupled Experimental–Theoretical Characterization of a Carbon Electrode in Vanadium Redox Flow Batteries using X-ray Absorption Spectroscopy

Vanadium redox flow batteries (VRFBs) have emerged as promising solutions for stationary grid energy storage due to their high efficiency, scalability, safety, near room-temperature operation conditions, and the ability to independently size power and energy capacities. The performance of VRFBs heavily relies on the redox couple reactions of V 2+ /V 3+ and VO 2+ /VO 2 + on carbon electrodes. Therefore, a thorough understanding of the surface functionality of carbon electrodes and their propensity for degradation during electrochemical cycles is crucial for designing VRFBs with extended lifespans. In this study, we present a coupled experimental–theoretical approach based on carbon K edge X-ray absorption spectroscopy (XAS) to characterize carbon electrodes prepared under different conditions and identify relevant functional groups that contribute to unique spectroscopic features. Atomic models were created to represent functional groups, such as hydroxyl, carboxyl, methyl, and aldehyde, bonded to carbon atoms in either sp 2 or sp 3 environments. The interactions between functionalized carbon and various solvated vanadium complexes were modeled using density functional theory. A library of carbon K-edge XAS spectra was generated for distinct carbon atoms in different functional groups, both before and after interacting with solvated vanadium complexes. Here we demonstrate how these simulated spectra can be used to deconvolve ex situ experimental spectra measured from carbon electrodes and to track changes in the electrode composition following immersion in different electrolytes or extended cycling within a functional VRFB. By doing so, we identify the active species present on the carbon electrodes, which play a crucial role in determining their electrochemical performance.

25 ENERGY STORAGE↗

Investigation of a high-temperature combination heat pump for lower-cost electrification in multifamily buildings

The development of space and water heating combination heat pumps capable of generating water temperatures high enough for convective heat emitters will enable more cost-effective and equitable decarbonization solutions for electrifying multifamily buildings. Here, in this paper, multifamily building models and a charge-sensitive mechanistic cycle model of a combination heat pump are developed, and the system performance is predicted based on the models. Unlike other state-of-the-art residential heat pumping equipment, the modeled combination heat pump using an economized, fluid-injected variable-speed compressor can achieve higher temperature lifts of 40° - 85°C, with lower installation costs and complexity. The model predicted heating coefficient of performance (COP h ) is 2.1 at an ambient temperature of -15°C with a high-temperature lift of nearly 85°C, and a seasonal coefficient of performance in heating mode (SCOP h ) ranges from 2 - 4 for different locations. The system shows 30% - 90% lower CO 2 eq emissions over a condensing gas boiler and 9% - 13% lower projected installation costs than two separate space and water heat pumping appliances.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Investigation on Tuning Power–Frequency Droop for Improved Grid–Forming Inverter and Synchronous Generator Transient Load Sharing

Poor transient load sharing has been observed during the parallel operation of synchronous generators (SGs) and droop-controlled grid-forming (GFM) inverter-based resources (IBRs) in islanded microgrids. This can result in overcurrent protections, causing the inverters to trip, which leads to the collapse of voltage and frequency. In this article, small-signal analysis supported by electromagnetic transients (EMTs) simulation is performed on a detailed model of a microgrid containing IBRs and an SG to identify underdamped modes and their sensitivities to the power–frequency (P-F) droop parameter. Further EMT simulation of a more complex microgrid model with multiple GFM IBRs and SGs is performed to determine whether trends identified from the modal analysis extend to cases where the number of SGs in operation may vary. The objective is to investigate the effectiveness of tuning this parameter to reduce the likelihood of overcurrents in response to load and generation disturbances. The work uncovers both fast and slow modes of concern. Primarily, the findings show that increasing the P-F droop value improves the damping of the slower mode while degrading the damping of the faster mode, leading to an upper limit on the damping improvement of the GFM IBR output current. In EMT simulations of the more complex microgrid, the greatest damping improvement still exhibits significant maximum overshoot. Furthermore, the optimal value of the P-F droop parameter is sensitive to the number of SGs in operation. The conclusion is that tuning the P-F droop parameter is not an effective means to avoid the overcurrent tripping of GFM IBRs during response to large load or generation disturbances when operating in parallel to SGs in islanded microgrids.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Effect of cold cap coverage and emissivity on the plenum temperature in a pilot-scale waste vitrification melter

Integrated computational fluid dynamics (CFD) models are being developed to model the complex physics occurring within the high-level waste melter for vitrification of legacy tank waste at the Hanford site. Here, we present a validation of the integrated CFD model by using data from two experimental runs in a pilot-scale melter. While the model uses several simplifying assumptions (such as constant heat sinks from a cooling jacket and inleakage of ambient air, steady state feed-to-batch conversion heat, and a cold cap model with a simplified shape), it closely predicts the molten glass (1150°C and 1175°C) and plenum temperatures (550°C) obtained from thermocouples during two pilot-scale tests, with an average cold cap coverage of 80%. Additional simulations were performed to explore the sensitivity of the predicted plenum temperatures to variations in cold cap coverage (fraction of melt surface covered by the glass batch) and batch emissivity. The plenum temperature was found to be in the range of 606°C when cold cap coverage decreased from 95% to 70%. Cold cap emissivity had a smaller effect, increasing the plenum temperature by as much as 179°C when cold cap emissivity increased from 0.2 to 0.8. Maintaining a high cold cap coverage without overfeeding is important for a sustained melter operation with high glass throughput. This work provides a tool for achieving that goal in terms of correlating the plenum temperature with the cold cap coverage.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Projecting Changes in the Frequency and Magnitude of Ozone Pollution Events Under Uncertain Climate Sensitivity

Abstract Climate change is projected to worsen ozone pollution over many populated regions, with larger impacts at higher concentrations. More intense and frequent ozone episodes risk setbacks to human health and environmental policy achievements. However, assessing these changes is complicated by uncertain climate sensitivity, closely related to climate model response, and internal variability in simulations projecting climate's influence on air quality. Here, leveraging a global modeling framework that one‐way couples a human activity model, an Earth system model of intermediate complexity, and an atmospheric chemistry model, we investigate the role of climate sensitivity in climate‐induced changes to high ozone pollution episodes in the United States using multiple greenhouse gas emissions scenarios, representations of climate sensitivity, and initial condition members. We bias correct and evaluate historical model simulations, identifying modeled and observed O 3 episodes using extreme value theory, and extend the approach to projections of mid‐ and end‐century climate impacts. Results show that the influence of climate sensitivity can be as significant as that of greenhouse gas emissions scenario absent precursor emissions changes. Climate change is projected to increase the magnitude of the highest annually occurring O 3 concentrations by over 2.3 ppb on average across the U.S. at mid‐century under a high climate sensitivity and moderate emissions scenario, but the increase is limited to less than 0.3 ppb under lower climate sensitivity. Further, we show that areas in the U.S. currently meeting air quality standards risk being pushed into non‐compliance due to a climate‐induced increase in frequency of high ozone days.

Environmental Sciences & Ecology↗

Regularization by denoising diffusion models for solving inverse PDE problems with application to full waveform inversion

Partial differential equation (PDE)-governed inverse problems are fundamental across various scientific and engineering applications; yet they face significant challenges due to nonlinearity, ill-posedness, and sensitivity to noise. Here, we introduce a computational framework, regularization by denoising using diffusion models for partial differential equations (RED-DiffEq), by integrating physics-driven inversion and data-driven learning. RED-DiffEq leverages pretrained diffusion models as a regularization mechanism for PDE-governed inverse problems. We apply RED-DiffEq to solve the full waveform inversion problem in geophysics, a challenging seismic imaging technique that seeks to reconstruct high-resolution subsurface velocity models from seismic measurement data. Our method shows enhanced accuracy and robustness compared to benchmark methods. Additionally, it exhibits strong generalization and domain decomposition capacity, enabling the inversion of more complex velocity models with larger domains than those used in training the diffusion model. Our framework can also be directly applied to diverse PDE-governed inverse problems.

Shan, Siming [Yale University, New Haven, CT (Unit↗

Non-Gaussianity in the weak lensing correlation function likelihood – implications for cosmological parameter biases

ABSTRACT We study the significance of non-Gaussianity in the likelihood of weak lensing shear two-point correlation functions, detecting significantly non-zero skewness and kurtosis in 1D marginal distributions of shear two-point correlation functions in simulated weak lensing data. We examine the implications in the context of future surveys, in particular LSST, with derivations of how the non-Gaussianity scales with survey area. We show that there is no significant bias in 1D posteriors of Ωm and σ8 due to the non-Gaussian likelihood distributions of shear correlations functions using the mock data (100 deg2). We also present a systematic approach to constructing approximate multivariate likelihoods with 1D parametric functions by assuming independence or more flexible non-parametric multivariate methods after decorrelating the data points using principal component analysis (PCA). While the use of PCA does not modify the non-Gaussianity of the multivariate likelihood, we find empirically that the 1D marginal sampling distributions of the PCA components exhibit less skewness and kurtosis than the original shear correlation functions. Modelling the likelihood with marginal parametric functions based on the assumption of independence between PCA components thus gives a lower limit for the biases. We further demonstrate that the difference in cosmological parameter constraints between the multivariate Gaussian likelihood model and more complex non-Gaussian likelihood models would be even smaller for an LSST-like survey. In addition, the PCA approach automatically serves as a data compression method, enabling the retention of the majority of the cosmological information while reducing the dimensionality of the data vector by a factor of ∼5.

79 ASTRONOMY AND ASTROPHYSICS↗

Dark Energy Survey Year 3 results: Cosmology from cosmic shear and robustness to modeling uncertainty

Here, this work and its companion paper, Amon et al. [Phys. Rev. D 105, 023514 (2022)], present cosmic shear measurements and cosmological constraints from over 100 million source galaxies in the Dark Energy Survey (DES) Year 3 data. We constrain the lensing amplitude parameter 𝑆 8 ≡𝜎 8 ⁢$\sqrt{Ω_{m}/0.3}$ at the 3% level in Λ⁢ CDM: 𝑆 8 =0.75⁢9$^{+0.025}_{−0.023}$ (68% CL). Our constraint is at the 2% level when using angular scale cuts that are optimized for the Λ⁢ CDM analysis: 𝑆 8 =0.77⁢2$^{+0.018}_{−0.017}$ (68% CL). With cosmic shear alone, we find no statistically significant constraint on the dark energy equation-of-state parameter at our present statistical power. We carry out our analysis blind, and compare our measurement with constraints from two other contemporary weak lensing experiments: the Kilo-Degree Survey (KiDS) and Hyper-Suprime Camera Subaru Strategic Program (HSC). We additionally quantify the agreement between our data and external constraints from the Cosmic Microwave Background (CMB). Our DES Y3 result under the assumption of Λ⁢ CDM is found to be in statistical agreement with Planck 2018, although favors a lower 𝑆 8 than the CMB-inferred value by 2.3⁢𝜎 (a 𝑝-value of 0.02). This paper explores the robustness of these cosmic shear results to modeling of intrinsic alignments, the matter power spectrum and baryonic physics. We additionally explore the statistical preference of our data for intrinsic alignment models of different complexity. The fiducial cosmic shear model is tested using synthetic data, and we report no biases greater than 0.3⁢𝜎 in the plane of 𝑆 8 ×Ω m caused by uncertainties in the theoretical models.

79 ASTRONOMY AND ASTROPHYSICS↗