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Characterizing core and edge turbulence regimes with fluctuation imaging diagnostics in Wendelstein 7-X

Two density fluctuation imaging systems, phase contrast imaging (PCI) and gas puff imaging (GPI) measure spatially resolved density fluctuations with high time resolution throughout the core plasma (PCI) and in the scrape-off layer (GPI) of the Wendelstein 7-X (W7-X) stellarator. Both systems combined give a comprehensive overview of overall fluctuation levels, spectral properties such as their distribution in frequency and wavenumber space as well as their spatial distribution. These tools are used to assess changes in density turbulence in three representative discharges that transition into stable divertor detachment by different strategies (impurity seeding, density ramping and power starvation). Several general trends are identified when the radiated power fraction is systematically increased: In the plasma edge, the line emission observed by GPI shifts radially inward with a drop in electron temperature, and normalized intensity fluctuation profiles follow this inward shift. Skewness and kurtosis of these edge fluctuations are reduced, indicating a reduction of large intermittent transport events, and poloidal phase velocities decrease in magnitude. These observations are consistent with a reduced power input into the plasma edge and a general reduction of turbulent activity. Core density fluctuation levels remain nearly constant in the impurity seeding scenario, indicating that detachment does not significantly impact turbulence there. However, a strong reduction in the dominant outboard fluctuation phase velocity is observed that deviates from the previous interpretation of neoclassical radial electric field changes, showing that the core plasma is not completely unaffected. In the density ramp and power starvation scenarios, undesirable and irregular large-scale events arise clearly in both diagnostic systems as the radiative fraction is increased. Impurity seeding therefore seems to be a promising strategy on W7-X to achieve detachment without significantly altering core turbulence, especially when targeting a specific operating point in core density and heating power.

Wendelstein 7-X↗

Spring Dust in Colorado Plateau: Transport Pathways and Interannual Variability Derived From Two Decades of MERRA‐2 Reanalysis

Spring dust storms in the U.S. Southwest significantly impact environmental and human systems, yet their climatological patterns and driving mechanisms remain poorly understood. Using two decades of MERRA-2 reanalysis data and self-organizing map clustering, we identified four distinct dust transport pathways from surrounding and remote deserts for the top 10% of spring dust events impacting the Colorado Plateau: (a) intense southwesterly near-surface transport where eastward upward transport is blocked by topography, (b) substantial remote transport plus weaker surface emissions, (c) moderate southwesterly transport with stronger upper-level transport, and (d) rare northwesterly pattern linked to the Great Basin sources, which accounts for 38%, 14%, 37%, and 11% of total events, respectively. The frequency and intensity of these events strongly correlate with large-scale climate variability, with increased dust events during La Niña. Our results provide a robust framework for improving seasonal dust forecasts and understanding future dust dynamics under climate change.

aerosol transport↗

Convergence Criteria for Multiphysics Simulations

The behavior of engineered systems is often influenced by multiple physical phenomena, such as mechanical deformation, heat transfer, and chemical species transport and reactions. There are often strong interactions between these phenomena, and there is increasing interest in applying coupled-physics models to improve understanding of physical behavior under complex environmental conditions. Multiple simulation frameworks that facilitate coupled-physics simulations are in widespread use, and these employ a variety of techniques to account for interactions between those physics. Many frameworks solve the physics models independently and transfer results between them. Alternatively, a single monolithic system of equations for every physics model can be formed and solved. Each of these approaches has its benefits and drawbacks, and the optimal approach varies depending on the nature of the problem. The open-source MOOSE framework was developed targeting solution of large-scale multiphysics problems. Although it provides options for all these coupling approaches, its standard approach for multiphysics solutions is to form and solve a single monolithic system of equations containing the unknowns for all physics models. MOOSE provides a streamlined approach for users to define the solution variables, the terms in the partial differential equations pertaining to each variable, and interactions between solution variables. One aspect of the monolithic solution approach that can be problematic, however, is defining appropriate convergence criteria for the nonlinear system. A standard approach is to determine convergence is to simply take a norm of the residual vector corresponding to the full vector of unknowns. However, if the residual vector contains variables for multiple physics models, the magnitudes of those variables can differ significantly, and the variables can converge at significantly different rates from each other. It is important to ensure that the variables for each of the physics are converged, and also ensure that the convergence criteria are not excessively stringent in cases when there is little change in the solution. This talk presents representative multiphysics problems to highlight these issues, and shows strategies for convergence criteria in MOOSE that are robust for multiphysics models under a variety of conditions.

97 - MATHEMATICS AND COMPUTING↗

Photosynthetic capacity is reduced by warming but unaffected by elevated CO2 in seedlings of five boreal tree species

Abstract Increasing atmospheric CO2 concentrations fuel global warming, with boreal regions warming at a faster rate than many other areas. Boreal forests are an important component of the global carbon cycle, yet we have little data on photosynthetic responses of boreal trees to elevated CO2 (EC) and warming. We grew seedlings of 5 widespread North American boreal tree species (from Betula, Larix, Picea, and Pinus) under current (410 ppm) or elevated (750 ppm) CO2 and either ambient (+0 °C) or increased (+4 °C or +8 °C) temperature, then measured photosynthetic traits over a range of leaf temperatures. Our results were generally consistent across species: photosynthetic capacity (maximum rates of Rubisco carboxylation, Vcmax, and electron transport, Jmax) was unaffected by EC but decreased under +8 °C warming. Accordingly, net photosynthesis measured at the growth CO2 concentration (Agrowth) was reduced under warming and increased under EC. The thermal optimum for Agrowth (ToptA) increased by ∼1.8 °C with EC but increased with warming in only two species. In contrast, the activation energies and thermal optima for Vcmax and Jmax, which are used to estimate photosynthesis in Earth System Models, were unaffected by growth environment. There were a few interactions between growth, CO2, and warming. These results suggest increased photosynthesis of widespread boreal tree species under EC may be offset by future reductions in photosynthetic capacity related to warming. We also show that the temperature sensitivities of parameters used to estimate global photosynthesis in large-scale models are generally unaffected by simulated climate change in these species.

Plant Sciences↗

Numerical Investigation of Susceptor-Catalyst Design for Ethylene Generation in Radio Frequency Based Reactors

Ethylene is the most widely produced petrochemical component in the world. Whether reactors are heated directly or indirectly via steam, manufacturers use economies of scale to overcome inherent thermodynamic inefficiencies when burning fossil fuels. While allowing large-scale operations to use alternative sources of energy and raw materials, new methods of supplying energy to chemical reactor systems can reduce the energy waste produced by conventional processes. One viable method for effectively supplying energy to reactor systems is electromagnetic (EM) induction heating. Using the properties of radio frequency (RF) waves, heterogeneous catalysts can be precisely targeted for heating inside reactors. Site-selective heating can greatly lower the energy requirements of the process by supplying heat to reaction sites while reducing needless heat transfer elsewhere. In this study, a microscale model was used to help create guidelines for susceptors and catalysts to improve ethylene production. The oxidative dehydrogenation of ethane is investigated by utilizing several catalysts and potential catalyst/susceptor combinations, with heat provided by an EM susceptor. Having the susceptors and catalyst function separately results in higher gradients in both heat and mass transfer, which drives transport through the catalyst region, while still providing adequate heating for endothermic reactions. However, using a susceptive core with a catalyst covering produces the maximum ethylene concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling active nematics via the nematic locking principle

Active nematic systems consist of rod-like internally driven subunits that interact with one another to form large-scale coherent flows. They are important examples of far-from-equilibrium fluids, which exhibit a wealth of nonlinear behavior. This includes active turbulence, in which topological defects in the nematic order braid around one another in a chaotic fashion. One of the most studied examples of active nematics consists of a dense two-dimensional layer of microtubules, crosslinked by kinesin molecular motors that inject extensile deformations into the fluid. Though numerous theoretical studies have modeled microtubule-based active nematics, no consensus has emerged on how to fully and quantitatively capture the features of the experimental system. Here, to better understand the theoretical foundations for modeling this system, we propose a fundamental principle we call the nematic locking principle—individual microtubules cannot rotate without all neighboring microtubules also rotating. Physically, this is justified by the high density of the microtubules, their elongated nature, and their corresponding steric interactions. We assert that the nematic locking principle holds throughout the majority of the material, but breaks down in the neighborhood of topological defects and other regions of low density. We derive the most general nematic transport equation consistent with this principle and also derive the most general term that violates it, introducing fracturing into the material. We then examine the standard Beris–Edwards approach, commonly used to model this system, and show that it violates the nematic locking principle throughout the majority of the material due to fracturing. We then propose a modification to the Beris–Edwards model that enforces nematic locking nearly everywhere. This modification shuts off fracturing except in regions where the order parameter (a proxy for density) is reduced. In these regions fracturing is turned on. The resulting simulations in turn show strong nematic locking throughout the bulk of the material, with narrow bands of fracturing, consistent with experimental observation. One additional advantage of enforcing nematic locking is that nontrivial stationary state solutions, common in Beris–Edwards simulations but not seen in experiments, are eliminated.

Mitchell, Kevin A. [Univ. of California, Merced, C↗

Data Summarization and Inference at Scale

This is the final report for the DOE ASCR grant SC-0022260, Data Summarization and Inference at Scale, PI: Alex Pothen, Purdue University. The goal of the project was to solve data-intensive and compute-intensive problems in the physical sciences, engineering, information science, data science, etc. by designing and implementing new algorithms that could work with a subset of the data. The four subgoals were: (a) The solution of problems where the data is too large to be stored in the memory of a computer. In this streaming model of computation, the data arrives as a stream of elements to the computer, each element is processed as it arrives, and a decision is made to discard the data or to store it; only a small subset of the data proportional to the size of the output solution is stored, and when all the data has been streamed, a solution to the problem is computed from the stored subset. (b) The use of machine learning methods to compute solutions to data-intensive problems. The use of GPUs is critical to obtain high performance on machine learning tasks, but their memory sizes are smaller relative to that of CPUs. For large-scale problems, the data is sampled many times, and small samples are used with repetition, for robustness, to compute solutions to inference tasks. This sampling reduces the memory required to solve the problem, but attention is needed to avoid slow convergence to the solutions, and reduced accuracy of inference. We propose submodular optimization, Large Language Models, and physics-informed neural networks to enable GPU computations here. (c) Modeling and visualization of high-dimensional data using interpretable features. Clinical proteomic data sets from immunology for the detection of cancer and other diseases are temporal and high-dimensional, and algorithms for visualizing these data sets using clinically interpretable features are lacking. We propose methods that compute distances based on the optimal transportation problem and graph edit distances to address this problem. We also propose the use of optimal transport-based distances, spatial statistics, and network structure to classify image data sets, We apply these algorithms to electron micrographs of the peripheral nervous system in the digestive tract. (d) The design of data-intensive algorithms on emerging architectures, specifically, noisy, intermediate-scale quantum (NISQ) devices. Quantum computers offer the possibility of exploring large solution spaces due to the principle of superposition, but current quantum computers are limited by few qubits, short coherence times due to noise, poor interconections among the qubits, etc. We propose the use of the divide and conquer paradigm to solve large-scale problems, wherein collections of small subproblems are solved on the quantum devices, and the solutions to the subproblems are integrated into a solution for the original problem on a classical computer.

97 MATHEMATICS AND COMPUTING↗

2D reactive transport model of shale chemical weathering and biogeochemical fluxes along a mountainous hillslope, East River Watershed, Colorado: Input files and simulation results

This data package contains input files and simulation results for a two-dimensional (2D) reactive transport model used to quantitatively analyze the coupled hydrological and biogeochemical processes governing shale weathering and associated biogeochemical fluxes under realistic environmental conditions in the high-elevation East River Watershed. These data support the conclusions presented in Stolze et al. (Water Resources Research, under review), "Model-based interpretation of solute exports and carbon partitioning during shale weathering in a mountainous hillslope". The model simulates atmospheric-subsurface gas exchange, subsurface water flow, and shale weathering processes under dynamic, year-scale conditions along a shale-underlain hillslope located in the East River watershed. The simulations were performed using the PFLOTRAN flow and reactive transport code and executed on the Perlmutter supercomputer to leverage its large-scale parallel computing capabilities. The data package contains two zipped folders, "model_input_files" and "simulation_results", and one readme.txt file. "model_input_files" contains the necessary input files to run the calibrated base-base model presented in Stolze et al. (Water Resources Research, under review). "simulation_results" contains a single hdf5 file ("Output_2D_hillslope_model.h5") which includes the results of simulation performed using the base-case model. This file can be opened with HDFView 3.1.4, Python, or MATLAB. "readme.txt" contains relevant information about the base-case model and provides guidelines on how to run the associated input files provided in the folder "model_input_files". Furthermore, readme.txt provides information regarding the model results provided in "Output_2D_hillslope_model.h5" such as matrix dimensionality and output units. Field datasets used to evaluate model performance were collected at three monitoring wells located along a hillslope transect (PLM1, PLM2, and PLM3). Dissolved ion concentration data were collected from November 2016 to October 2021 for Ca, Mg, DIC, Na, K, SO4 (Dong et al., 2025 - dic_npoc_data_2014_2024.zip - DOI:10.15485/1660459; Williams et al., 2025 - anion_data_2014_2024.zip - DOI:10.15485/1668054; Dong et al., 2025 - cation_data_2014_2024.zip - DOI:10.15485/1668055). Note that we used the files named er_PLM1_xx_yy, er_PLM2_xx_yy, and er_PLM3_xx_yy where xx stands for the name of the aqueous species and yy stands for the depth where the measurements were performed. Soil water content ([0 - 1] m) and water table depth were collected from November 2016 to October 2021 (Wan et al., 2024 - Dynamic_water_table__depthsFig2b.csv and Soil_water_content_Fig4e.csv - DOI:10.15485/2322567). Gaseous CO2 concentration were collected from October 2020 to December 2021(Wan et al., 2024 - Soil_CO2_concentrations_Fig4h.csv - DOI:10.15485/2322567) Gaseous CO2 flux from the subsurface to the atmosphere were collected in the vicinity of PLM2 from October 2019 to May 2022 (Wu et al., 2025). Soil microbial biomass concentration was measured from August 2016 to June 2017 (Sorensen et al., 2019 - 2017_East_River_Pumphouse_Microbial_Biomass__1_.csv - DOI:10.15485/1577267) All field data are published as CSV files compatible with Microsoft Excel, MATLAB, and Python, or as text files. The coordinates of the monitoring wells and the CO2(g) flux sensor in the coordinate system WGS84 are: -PLM1: [38.9197710 ; -106.9492750] -PLM2: [38.9201580 ; -106.9487170] -PLM3: [38.9207843 ; -106.9483668] -PLM4: 38.9210060 ; -106.9479528] -CO2(g) flux sensor: [38.9199180 ; -106.9489906] ------------------------------------------------------------------------------------------- This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center (NERSC), a Department of Energy User Facility using NERSC award BER-ERCAP 23980, BER-ERCAP 28550, and BER-ERCAP 33789.

54 ENVIRONMENTAL SCIENCES↗

Interactions Between Climate Policy and Technology-influenced Travel Behavior: Mitigating Induced Demand from CACC

Advances in vehicle technology have influenced the development of automated vehicle systems, where vehicles that do not require human intervention are already deployed in the roadway networks. While these advances are proved to increase roadway safety and highway capacity, more research is needed to understand the long-term and regional-level impacts on mobility, land use, energy consumption, and emissions. This study proposes a multi-model approach to analyze the effect of vehicle automation and deep decarbonization policies over a period from 2020 to 2040 in Austin, Texas. We use the Global Change Analysis Model (GCAM) to develop internally the scenarios that are then passed to the SMART Mobility modeling workflow, a large-scale simulation framework combining the POLARIS activity-based travel demand model and mesoscopic traffic simulator with the Autonomie vehicle energy consumption model and the UrbanSim land use simulator. Results suggest that the introduction of vehicles with advanced automation could increase fuel consumption when no decarbonization policies are implemented. Also, advances in vehicle technology research and development could lead to a decline in energy use in the long-term. Energy pricing and vehicle electrification incentives could help reduce the impact of vehicle automation. Finally, our analysis indicates the relevance of introducing land use processes in longterm vehicle automation studies.

land use↗

Nano- and Earth-Science-inspired Electric Vehicle Battery Recycling to Secure Battery Supply Chain

With the expected growth of electric vehicles (EV) in the transportation sector, recycling or upcycling spent battery materials will be required to reduce EV costs, lessen waste, and ease critical material supply chain pressure for EV battery applications. “Direct” recycling or upcycling is an alternative to current industrial approaches. Many challenges remain for viable direct battery upcycling, including upgrading the transition metal ratio in the costliest component (cathode oxide); separation of transition metal ions in the exit stream; battery disassembly; improving cathode exfoliation which can lead to a new way of direct recycling; and lithium metal anode recycling -- including safety concerns. We devise and deploy a suite of methods to deal with these challenges. The results pave the way to future work on battery recycling, in areas of technological/commercial readiness level ranging from basic research to large-scale commercialization.

25 ENERGY STORAGE↗

Optimization of a Mixed Fleet of Aerial Drones for Medical Supplies: A Case Study of Blood Delivery Logistics

Aerial drones have emerged as an innovative solution for faster transportation of time-sensitive items (e.g., emergency medical supplies), potentially reducing the transmission of contagious diseases and enhancing healthcare availability through contactless autonomous delivery. We study fleet sizing and efficient scheduling of a mixed fleet of drones for delivering time-sensitive medical items having distinct release and due times to minimize the required fleet size and fleet composition, the required number of additional batteries, and the total energy consumption. We continuously track the remaining battery energy of drones to determine the optimal timing for battery replacement, rather than replacing the battery at each node. Using actual drone flight test data, we employed a machine learning (ML) method to estimate the energy consumption of different drone types during flight segments for different operating parameters. We present a novel mixed-integer programming model to efficiently formulate the problem that integrates the estimated energy consumption functions from ML. We propose a new greedy heuristic (GH) algorithm and a customized genetic algorithm (GA) for solving large-scale instances of this problem faster. Results demonstrate that the GH algorithm is substantially faster than the accelerated CPLEX and the GA, while sacrificing the solution quality by a small amount. Results based on an actual blood sample delivery case study from Pendleton, Oregon, United States, show that using a mixed fleet of drones reduces the total cost and total energy consumption up to 18.18% and 28.7%, respectively, compared to using a homogeneous fleet.

29 - ENERGY PLANNING, POLICY AND ECONOMY↗

Systems Analysis of Biomass and Coal Co-firing Power Plants with Deep Carbon Capture Toward Net-zero Emissions

Achieving a net-zero emission economy in the United States requires integrating diverse low-carbon and negative-emission technologies into the existing fossil fuel-dominant power fleet. Potential technologies from the low-carbon portfolio include renewable power, fossil power with carbon capture and storage (CCS), bioenergy with CCS (BECCS), and direct air capture (DAC). Renewable power is a clean energy source but has to pair with costly battery storage to provide dispatchable electricity. Fossil power with CCS offers dispatchable electricity yet still relies on DAC to offset residual emissions, even when deploying deep CCS with more than 90% CO2 capture. Coal-biomass co-firing with CCS, a subset of BECCS, is a reliable energy production technology that can be retrofitted from existing electricity generation units (EGUs). Power plant retrofit maximizes the use of the current U.S. coal power fleet without the need for large-scale deployment of new renewable power, battery storage, or DAC. Retrofitting coal-biomass co-firing with deep CCS in EGUs is a promising option, but not a universal solution. Biomass co-firing at a power plant introduces economic challenges and indirectly poses pressure on land and water resources. Meanwhile, retrofitting deep CCS affects plant efficiency and raises electricity generation costs. Overall, the technical feasibility and economic viability of plant retrofits vary across EGUs, as they are contingent upon the regional availability of biomass, unit-specific characteristics, site-specific fuel supply costs, and adjacent CO2 storage potential. Government incentives like 45Q can improve the retrofit viability, though the impact requires further quantification. A comprehensive analysis at the unit level is essential to address the question regarding the fate of the U.S. coal-fired electricity generation fleet toward the net-zero emission goal. This study conducts a systematic techno-economic-environmental assessment of EGUs to identify the viability of biomass co-firing and deep CCS retrofits in the U.S. coal-fired power fleet. Specifically, it characterizes the techno-economic performance of deep carbon capture, estimates life cycle greenhouse gas (GHG) emissions, and conducts a fleet-level assessment on retrofit viability. The key objectives are (1) to estimate the unit-specific performance and retrofitted cost under various biomass co-firing levels and CO2 capture rates; (2) to determine the possibility of reaching net-zero emission at the fleet level; (3) to quantify the cumulative capacities that are suitable for plant retrofits under current and future biomass supply scenarios; and (4) to improve the understanding of policy impacts on such retrofits to help the power sector’s transition to a net-zero economy. Techno-economic Model of Deep Carbon Capture. This study develops the performance and economic models for Monoethanolamine-based post-combustion CO2 capture at 95–99% capture rates. The process is simulated in Aspen Plus, analyzing the performance of carbon capture technology by varying the plant sizes, solvent lean loading, CO2 concentrations, and flue gas inlet temperature. Based on the key inputs and output parameters of CO2 capture, a reduced-order performance model of deep carbon capture is formulated. In addition, an engineering-economic model integrating the performance metrics is developed to estimate the capital as well as operation and maintenance (O&M) costs. Capital cost estimations follow the framework of the Integrated Environmental Control Model (IECM) and incorporate data regressions from three technical reports by IECM, the National Energy Technology Laboratory (NETL), and the National Renewable Energy Laboratory. The O&M cost estimation utilizes the actual inventory consumption rate and labor requirements. Both performance and cost models are embedded into IECM v13.0-beta, a fossil-fuel power plant modeling tool. Life Cycle Assessment of Power Plants. This study estimates the GHG emissions of power plants through life cycle assessment (LCA). The LCA scope includes fuel supply, combustion-based power generation, and CO2 transport and storage. The fuel-based life cycle module is designed following the framework of the NETL Unit Process Library and CO2U LCA Guidance Toolkit. The module is then incorporated into IECM v13.0-beta. The process-based LCA is applied to estimate the GHG emissions of coal and biomass supply, coal- and coal-biomass co-firing power plant operation, as well as CO2 pipeline transport and geographical sequestration. An uncertainty analysis is conducted to quantify the variability and uncertainty associated with the LCA using the Latin Hypercube Sampling (LHS) method. Fleet-level Assessment. This study evaluates the technical and economic feasibility of selected coal-fired EGUs, examines the role of tax credits in retrofit viability, and assesses the competitiveness of retrofitted units against other low-carbon options. Unit screening identifies EGUs for the study, focusing on new, efficient baseload units with air pollution controls. The power plant databases are then established to organize unit-specific information on performance and operating conditions from the relevant public databases. Biomass for co-firing retrofits is selected based on home and neighboring county availability, ensuring sustained operation with at least a 5% co-firing level. The CO2 storage site is determined by state-level storage potential, with ArcGIS Pro and NETL CO2 Saline Storage Cost Model used to identify the optimal balance between the nearest transport distances and affordable storage costs. The latest IECM v13.0-beta is then employed to configure and evaluate the eligible EGUs with or without the deployment of deep CCS and biomass co-firing. A supply curve is established to illustrate the cumulative installed capacity suitable for retrofits at different cost levels. A sensitivity analysis on tax credits for carbon sequestration is performed. Finally, a unit-level cost comparison is conducted among retrofitted plants, renewable power with battery storage, and abated fossil fuels with DAC. Expected Results. This study evaluates the technical, economic, and environmental metrics of each EGU across an array of CO2 capture rates and biomass co-firing level scenarios. Unit-level comparisons will identify critical factors influencing technical performance. The supply curves with and without tax incentives will provide insights into the impact of tax credits on biomass co-firing and CCS deployment. The cost comparisons with renewables and DAC-retrofit will assess the competitiveness of the retrofitted units. Life cycle emissions from each unit will be assessed to identify the scenarios under which net-zero emissions can be achieved. These analyses are expected to determine the total coal-fired capacity suitable for serving as a low-carbon energy source with or without tax incentives. The study results are novel in identifying optimal unit-specific strategies for producing carbon-neutral power, whether through retrofitting EGUs with deep CCS, biomass co-firing, DAC, or installing renewable power with battery. The findings will provide insight into nationwide efforts to ensure reliable, affordable, and low-carbon electricity. It also will inform investment decisions and policies in the deployment of deep carbon capture and negative emission technologies for a net-zero energy future.

Biomass Co-firing↗

Relaxations of the steady optimal gas flow problem for a non-Ideal gas

Natural gas ranks second in U.S. primary energy consumption. Because most production sites are remote, gas must be transported through pipeline networks equipped with compressors, valves, and other components. For both economic efficiency and system reliability, it is desirable to operate these networks optimally. The governing physics across pipeline components entails nonlinear, non-convex equality and inequality constraints, and the most general steady-flow operations problem is a Mixed-Integer Nonlinear Program (MINLP).This work focuses on one such steady-flow problem-the Optimal Gas Flow (OGF) for a natural gas pipeline network-which minimizes production cost subject to the steady-flow physics. For day-to-day operations, the ability to quickly compute a globally optimal solution and a strong lower bound for varying demand profiles is crucial. A promising strategy is to build tight relaxations of the OGF’s nonlinear constraints. However, many nonlinearities arising from non-ideal equations of state either lack relaxations or have relaxations that do not scale to realistic network sizes. We address this gap by combining recent advances in polyhedral relaxations for univariate functions to construct tight, computationally efficient relaxations of the OGF with a non-ideal equation of state. These relaxations solve within seconds on a standard laptop. In conclusion, we demonstrate their quality through extensive numerical experiments on very large-scale test networks from the literature and find that the proposed approach proves optimality in 92% of tested instances.

03 NATURAL GAS↗

Water sources and land capacitor effects stimulate observed summer Arctic moistening and warming

The primary sources of recent summer Arctic moistening trends in reanalysis are uncertain, hindering attribution of observed Arctic warming due to radiative effects from water vapor changes. Here, we use a combined online numerical water tracer and circulation nudging approach in the Community Earth System Model to track the sources of water vapor beyond its initial sources. Trends in boreal summer large-scale circulation have driven moistening of the Arctic over recent decades, having a large impact on the Arctic radiative budget, accounting for 94% of the strengthening water vapor radiative feedback. We identify two key regions supplying the Arctic water vapor feedback: Northeast North America and western/central Eurasia. In both regions, anticyclonic circulations over the southwest Atlantic and eastern Europe move moisture from the tropical oceans poleward to high latitude land through precipitation in winter and spring. During summer, evapotranspiration over land releases this water vapor, and it is transported by winds into the Arctic. We refer to this sequence of terrestrial moisture storage and release as the land capacitor effect. Thus, the impacts of circulation changes on poleward moisture transport and land-atmosphere interactions over high latitudes represent the underlying mechanisms of the recent moistening and warming in the Arctic.

Arctic amplification↗

Breakdown of superdiffusion in perturbed quantum integrable spin chains and ladders

Superdiffusive transport with dynamical exponent z=3/2 has been firmly established at finite temperature for a class of integrable systems with a non-Abelian global symmetry G. On the inclusion of integrability-breaking perturbations, diffusive transport with z=2 is generically expected to hold in the limit of late time. Recent studies of the classical Haldane-Ishimori-Skylanin model have found that perturbations that preserve the global symmetry lead to a much slower time scale for the onset of diffusion, albeit with uncertainty over the exact scaling exponent. That is, for perturbations of strength λ, the characteristic timescale for diffusion goes as t*∼λ−α for some α. Using large-scale matrix product state simulations, we investigate this behavior for perturbations to the canonical quantum model showing superdiffusion: the S=1/2 quantum Heisenberg chain. We consider a ladder configuration and look at various perturbations that either break or preserve the SU(2) symmetry, leading to scaling exponents consistent with those observed in one classical study [McCarthy , Phys. Rev. B 110, L180301 (2024)2469-995010.1103/PhysRevB.110.L180301]: α=2 for symmetry-breaking terms and α=6 for symmetry-preserving terms. We also consider perturbations from another integrable point of the ladder model with G=SU(4) and find consistent results. Finally, we consider a generalization to an SU(3) ladder and find that the α=6 scaling appears to be universal across superdiffusive systems when the perturbations preserve the non-Abelian symmetry G.

Wang, Kevin↗

A Scalable Multi-Modal Framework for High-Fidelity Distributed Human Mobility Simulations

The development of data-driven models for human mobility in urban settings requires access to substantial and diverse real-world data. However, existing historical data often presents challenges such as limited volume, variety, and veracity, as well as missing data and privacy preservation concerns. Also, urban mobility modeling is inherently time-variant, complex, and multi-modal, encompassing everything from individual walking and running to private road travel and large-scale public transportation. These challenges call for innovative solutions to overcome data limitations and compute needs to model mobility behaviors accurately. To address these challenges, we propose a distributed, co-simulation-based architecture DURMOSim that integrates real-world data with scalable, high-fidelity simulations, demonstrating distributed co-simulation feasibility with existing mobility models. DURMOSim underpins a modular integration that would enable using any available mobility simulators for greater extensibility and scalability in performing various urban scenarios. In this paper, we present the design, implementation, and performance evaluation of DURMOSim, highlighting its capability to model population-scale mobility patterns. Our initial results show its ability to dynamically synchronize multiple simulation models at runtime with negligible computational overhead. We believe DURMOSim could be a robust tool for advancing urban mobility research and intelligent transportation systems.

Yoginath, Srikanth [ORNL] (ORCID:0000000184236050)↗

Analysis of Off-Gas Streams from Small- and Large-Scale Sparging Salt Vessels using Laser-Induced Breakdown Spectroscopy

Laser-induced breakdown spectroscopy (LIBS) is being developed as an analytical monitoring tool for molten salt reactor (MSR) systems. A mobile LIBS platform was configured on a small-scale salt vessel (~100 g of salt) and then transported 0.6 km to successfully monitor an engineering-scale pumped salt loop (~100 kg of salt). Several studies on monitoring salt aerosols, hydrogen isotopes, and noble gases were performed on the small-scale system. All these studies were then implemented for monitoring various tests on the engineering-scale loop. Aerosolized salts from both the storage tank and pump bowl were monitored using LIBS to assess bulk salt analyte ratios (Mg, Na, K) and evaluate impurities (H, O, Ca). In addition to monitoring salt aerosols, LIBS was used in tandem with a residual gas analyzer (RGA) and a Raman spectroscopy system to detect hydrogen isotopes as they were sparged through and subsequently depleted from the loop storage tank. Lastly, a similar test with noble gases (100 ppm Kr, 1000 ppm Xe) was performed, in which LIBS demonstrated a faster response than the RGA used in-line. The tests and results are summarized in this report with detailed publications to follow. Key takeaways are listed in the conclusion of the report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

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↗