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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Description of FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

The urgency to deliver fusion power is growing now more than ever, with increasing pressure for both public programs and private companies to meet milestones timelines and overcome significant remaining technical challenges to ensure growth of a nascent fusion industry in time to meet rapidly growing clean energy demands. With incredible advancements in computation and years of investment in fusion model development and validation, integrated modeling is poised to fill a key role in accelerating the timeline to a fusion pilot plant (FPP). Future fusion pilot plants will operate in regimes far beyond current experience, and device design will rely on physics-based prediction and extrapolation. Many concepts will also rely on simulation to assess safety (shielding, tritium management, materials activation and lifetimes), economics and scalability before the decision to build. Importantly, integrated simulation can be used to reveal and solve the complexities of system integration that may otherwise not be apparent in physical components or models developed in isolation. New experimental test facilities that produce relevant conditions to validate and resolve key technical challenges for various subsystems (materials, blankets, fuel cycle, etc.) have been repeatedly called for by the fusion community but are not yet realized. Integrated modeling has an important role in identifying realistic load conditions (thermal, electromagnetic, plasma, neutron and photon loads, etc.) and defining the components and experiments for these test facilities in order to ensure meaningful validation that sufficiently reduces modeling uncertainties and technical risk for the full integrated reactor. The Fusion REactor Design and Assessment (FREDA) SciDAC project is building a component-based integrated modeling framework & data structure to enable self-consistent, multi-fidelity, iterative optimization workflows for the fusion reactor design process. FREDA aims to shorten the time to viable designs by providing a set of flexible workflows to support the various stages of the design process using an integrated model hierarchy, ranging from the simple analytic descriptions to the highest fidelity, theory-based plasma and engineering modeling developed by the fusion and fission communities. These tools are expected to be needed for timely support of FPP design in the milestone program and in the FIRE collaboratives. The plasma simulation backbone of FREDA is IPS-FASTRAN with newly developed coupled Core-Edge Pedestal-SOL (CESOL) workflows, which is being extended to the far-SOL region up to the plasma facing components. FREDA incorporates the FERMI engineering modeling suite and will enable self-consistent evaluation of the thermal shields, limiters, blanket, magnets, and other surrounding structures with predictions of temperatures, erosion, dpa, activation, tritium generation and transport, creep, corrosion, material degradation, etc. Parametric generation of 3D CAD enables rapid iteration of component geometry in response to plasma and loading specifications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Photometric redshifts probability density estimation from recurrent neural networks in the DECam local volume exploration survey data release 2

Photometric wide-field surveys are imaging the sky in unprecedented detail. These surveys face a significant challenge in efficiently estimating galactic photometric redshifts while accurately quantifying associated uncertainties. In this work, we address this challenge by exploring the estimation of Probability Density Functions (PDFs) for the photometric redshifts of galaxies across a vast area of 17,000 square degrees, encompassing objects with a median 5 σ point-source depth of g = 24.3, r = 23 . 9 , i = 23.5, and z = 22.8 mag. Our approach uses deep learning, specifically integrating a Recurrent Neural Network architecture with a Mixture Density Network, to leverage magnitudes and colors as input features for constructing photometric redshift PDFs across the whole DECam Local Volume Exploration (DELVE) survey sky footprint. Subsequently, we rigorously evaluate the reliability and robustness of our estimation methodology, gauging its performance against other well-established machine learning methods to ensure the quality of our redshift estimations. Our best results constrain photometric redshifts with the bias of − 0 . 0013 , a scatter of 0.0293, and an outlier fraction of 5.1%. These point estimates are accompanied by well-calibrated PDFs evaluated using diagnostic tools such as Probability Integral Transform and Odds distribution. We also address the problem of the accessibility of PDFs in terms of disk space storage and the time demand required to generate their corresponding parameters.We present a novel Autoencoder model that reduces the size of PDF parameter arrays to one-sixth of their original length, significantly decreasing the time required for PDF generation to one-eighth of the time needed when generating PDFs directly from the magnitudes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Developing Low Noise, Rad-hard Detectors for Parity Violating Experiments

As parity-violating electron scattering (PVeS) experiments continue to push the frontiers of precision electro-weak asymmetry measurements, the demands on the experimental techniques and apparatus are also pushed. In particular, the need for higher resolution and radiation-hardness of the main integrating detectors has increased over the successive generations of PVeS experiments. The demand for precise measurement of GHz event rates has pushed the field toward the use of thin quartz Cerenkov light based detectors. We have been designing and testing such thin quartz detectors specifically for the upcoming experiments at Jefferson Lab, PREX-II and CREX, but this work also greatly influences the detector development for several future experiments including MOLLER at Jefferson Lab. These are all PVeS experiments that will use the new thin quartz Cerenkov detector design concept for their main asymmetry measurements (as well as for beam monitoring). The new design concept gives not only significant performance improvements compared to its predecessor from PREX-I, but also we have now thoroughly characterized its operational design and performance using a combination of test-beam data and detailed particle and optical Monte Carlo Geant4 simulations. These activities have culminated in the development and implementation of a "bench-marked" Monte Carlo package, QSIM, which constitutes a powerful design tool for present and future PVeS quartz detectors. The benchmarked simulation can replicate real photoelectron distributions (RMS and Mean) from testbeam data with ~5% precision – limited mainly by the systematic uncertainty of the PMT gain measurements.

Villarreal, Carlos Bula Villarreal↗
DOE OSTI2023

Laboratory-Scale Coal-Derived Graphene Process (Final Report)

The Energy & Environmental Research Center (EERC) conducted a laboratory-scale coal-derived graphene (CDG) project focused on developing a technological process for making graphene from four U.S. domestic coal or coal wastes, including lignite from North Dakota, subbituminous coal from Wyoming, bituminous coal from Utah, and anthracite from Pennsylvania. The project was divided into two performance or budget periods (BPs), with BP1 comprising the up-front laboratory experiments to make graphene materials from coal beginning on May 1, 2020, to April 30, 2022. BP2 was conducted from May 1, 2022, to April 30, 2023, and was focused on analyzing the CDG process economic feasibility and the technical gaps for technological scale-up and commercialization. During this project, a few different coal-derived high-value products have been demonstrated, including graphite, graphene oxide (GO), reduced graphene oxide (rGO), and graphene quantum dots (GQDs). A new graphite microstructure was discovered and named “croissant graphite” because of the exterior morphological and textural resemblance to croissant food items sold in commercial groceries stores. The new graphite structure and the associated preparation from coal or coal waste feedstocks has been the subject of a U.S. patent application. The systematic experimental processes involving coal cleaning, upgrading, and conversion to high-value carbon products culminated into a developed upgraded coal-to-products (UCP) technology that is being pursued for potential fast-track commercialization, if funding is available. It is envisioned that commercialization of the UCP technology would increase consumption of U.S. domestic coals or coal wastes to make environmentally sustainable high-value products for the electronics industry, high-energy-storage applications, and clean energy technologies such as electric vehicle (EV) lithium-ion batteries (LIBs), for which graphite has become a critical mineral commodity. Croissant graphite microstructures, when observed by field emission scanning electron microscopy (FESEM), display wavy surface morphology and often grow from a base that is made of graphitized particles with honeycomb-like layers, which are believed to be graphene layers. While more studies are needed to fully ascertain the mechanisms of the croissant graphite microstructure formation, it is postulated that their growth may begin from curling of the graphene sheets into ribbon-like structures, and continuous growth and densification of the ribbon-like structures forms croissant microstructures. Additional studies are ongoing to evaluate the electrochemical performance of croissant graphite for LIB applications and to determine the experimental conditions necessary to tune on/off croissant formation so that it can be either optimized or suppressed depending on performance evaluation results. In addition to the discovery of croissant graphite, the graphitization process from the four coal ranks in general was successful. X-ray diffraction (XRD) analysis showed that the degree of graphitization (DoG) ranged from 12% to 80% in an early sample set, and further optimization on lignite coal produces a DoG of about 92%, which was spectacular to see as lignite is the lowest-rank coal. Thus, it is expected that the graphitization performance for higher-rank coals will be similar or better when optimized as well. The coal-derived graphite was used to make GO and rGO. Analytical characterization, e.g., by methods such as Raman spectroscopy, XRD, Fourier transform infrared (FTIR) spectroscopy and FESEM, showed that the sequence of converting the coal to graphite, exfoliating it to GO, and then chemically reducing the GO to rGO was successful. Although coal naturally contains aromatic compounds and some relatively small-sized condensed aromatic units, it does not contain graphene sheets. In the UCP process, the aromatic domains in the coals, particularly low-rank coals, are concentrated and condensed further into graphene sheets, which are ordered into a 3D stack during graphitization. The synthesized graphite is then unpacked by methods such as exfoliation to various graphene products. GQDs were synthesized from all four coal types, and their optical properties were demonstrated to be tunable by the coal precursor preprocessing treatments. In all four coal types, enhanced optical properties were observed for the produced GDQs with incremental improvements made to the coal precursors. GQDs produced from raw coal samples displayed lower ultraviolet–visible (UV–Vis) spectroscopy absorbance intensity compared to those obtained from cleaned and upgraded coal residues. The photoluminescence (PL) intensities also varied with pretreatment conditions and with the concentration of GQDs in aqueous solutions. GQDs obtained from anthracite show longer emission wavelengths and can be excited by visible light as opposed to GQDs derived from the other coal ranks. UV fluorescence 3D maps and spectra revealed that the emission wavelength at which the GQDs solutions display the highest intensity was slightly redshifted based on the coal precursor pretreatments. In low-rank coal (lignite and subbituminous) samples, two clusters were observed in the maps for GQDs, which may suggest that there are potentially two types of fluorophores in solution or two main size populations. The ability to tune the properties of GQDs based on processing methods can be exploited to make GQDs for various optical display or optoelectronics applications. The results also highlight the importance of removing coal-borne impurities to improve the quality of the coal precursor for preparation of graphene products. Coal and/or coal wastes preprocessing methods were developed and applied to clean and upgrade the coal precursors prior to graphitization and subsequent conversion to graphene products. The preprocessing methods involve high specific-gravity separations, mineral acid cleaning (no hydrofluoric acid), and subsequent upgrading by reducing the coal-borne heteroatom (nitrogen, sulfur, and oxygen) content using proprietary chemical agents. Analytical characterization revealed that the preprocessing steps were successful, with ash reductions that range from 38% to 80% and residual ash content that was below the 5 wt% initial target. Based on proximate and ultimate analysis, the heteroatom reduction reactions produced upgraded coal residues with the oxygen content reduced by 8% to 24%, with additional reductions in the nitrogen and sulfur contents. An initial assessment of the waste streams from the UCP process shows very small to negligible environmental impact due to CO 2 , NO x , and SO x because most process steps are performed under inert atmosphere with argon. Consequently, reactive oxygen environments that tend to create these species are avoided. The inorganic and potentially hazardous species are released into aqueous waste streams that are easy to handle for proper disposal. The liquid waste streams were found to contain low-level concentrations of rare-earth elements (REEs), which could be concentrated and recovered as value-added by-products. Additionally, the volatile and gaseous fractions from carbonization and heat treatment contain useful organic compounds that can also be recovered as potential valuable by-products. Thus, the UCP technology is considered an environmentally sustainable and promising emerging technology for making high-value products from coal and coal wastes, with potential additional value-added by-products. Analysis of potential markets for the coal-derived carbon products shows a strong demand in both niche market sectors and across a wide variety of other industrial sectors. Graphite is currently considered a critical mineral commodity that has a large and growing demand in the LIB industry for EV applications. Based on data from Fortune Business Insights (2022) and Marketwatch (2023) reports, the average global graphite market is projected to reach about 33 billion by 2028, growing at a compound annual growth rate (CAGR) of about 7%, with much of this growth expected to be in the LIB industry. GO and rGO have strong market potentials in various application areas, such as coatings for anticorrosion, anti-icing, and antimicrobial protection, thermal barriers, wear resistance, sensors, additive manufacturing such as 3D inks, and others. GQDs are the emerging key player in the bioimaging, photovoltaics, and light-emitting diodes (LEDs) applications, with the potential to replace traditional semiconductor quantum dots (SQDs), which are based on metallic systems that are more toxic and more expensive. Biomedical applications of GQDs are becoming more attractive because of low to no toxicity and extremely low cost compared to SQDs. The major challenges for scale-up and commercialization of coal-derived carbon products such as graphene vary from the inherent attributes of graphene itself to reluctance to accept graphene in new manufacturing processes because of the uncertainty of the unknown. The 2D nature of graphene materials with a thickness of one atom presents significant challenges to proper handling/processing, and process scale-up becomes difficult because it requires high-end, expensive equipment, even for routine handling and analysis for quality assurance and control. Pristine graphene can also be extremely difficult to work into other matrices, thus hindering downstream processibility, especially at large scale. Currently, the cost of graphene and graphene products is still high and presents an economic risk that tends to slow down investment in scaling up emerging technologies. The lack of a standard for graphene materials for quality assurance and quality control poses a great challenge not only for the markets but also for commercialization efforts. A first-look economic feasibility analysis of the UCP technology provided valuable information that suggests the UCP process would be feasible, especially when it is scaled to a pilot scale and could be more competitive at the full scale. Graphitization was found to be the most energy-consuming and most capital-intensive step in the overall process. In small laboratory- and bench-scale experiments, labor is a significant contributor to the total process costs. Although these energy, capital, and labor constraints contribute to a higher selling price for the product, a preliminary economic model suggests that the process would be feasible at large scale when the process is fully integrated, optimized, and automated.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

LandScan HD: a high-resolution gridded ambient population methodology for the world

Unwarned population distributions accounting for routine human activities are needed to address many global human security challenges, including disasters, conflict, and infrastructure demand. LandScan High Definition (LSHD) supports this need through gridded ambient population estimates that measure average human presence between daytime and nighttime at a high spatial resolution of 3 arcseconds (approximately 90 m). Although LSHD has traditionally been produced on a country-specific basis, advances in global foundational data and computational resources now enable scaling its methodology to the world. Combining aspects of top-down and bottom-up gridded population methods, LSHD allocates subnational population totals from authoritative statistics to built-up areas based on occupancy estimates for multiple facility types (e.g., residential, commercial) and then reaggregates these estimates to a global population grid. We scale this approach by organizing the LSHD data stack into a 1° resolution tileset of vector analytic features, enabling an efficient and repeatable workflow for all countries worldwide. Examining the Philippines as an output of the global LSHD baseline dataset, we contrast unwarned and residential (WorldPop) population distributions by (1) exploring a practical application of flood risk assessment and (2) evaluating their congruence with outcomes of collective human activities (subnational CO 2 emissions). Finally, we discuss plans to address current LSHD limitations through data/modeling and uncertainty quantification improvements and provide outlook for workflow automation and extending the model to social, demographic and economic population characteristics.

Building morphology↗
DOE OSTI2022

Multiscale Experiments and Multiphysics Simulation of Multiphase Flow for Transportable Small Modular Reactors

A new type of safe, small, transportable nuclear reactor would address the intense and ever-growing global demand for energy produced via a resilient, carbon-free energy source. In this regard, transportable small modular reactors (SMRs) are being designed and developed for electricity generation within small/micro-grid/off-grid isolated systems, as well as for heat generation in industrial/residential applications. These reactors feature the capability to be fully factory fabricated and then directly transported to utilities’ sites as “plug-and-play” systems. Research and development (R&D) programs are underway at Idaho National Laboratory (INL) to successfully design, develop, and demonstrate such safe-by-design mobile reactor technologies, in collaboration with partner organizations. Multiscale experimental facilities and multiphysics simulation tools are required for reactor design verification and validation (V&V), and licensing. These advanced reactors are intended to feature passive safety systems such as passive containment cooling systems (PCCS), which consist of multiphase flows and multispecies distributions. This seminar talk will focus on designing and analyzing transportable SMR PCCS by using multiscale experiments and multiphysics computational fluid dynamics (CFD) simulations to support reactor licensing and safety. The corresponding research challenges are addressed via supportive verification and validation results generated by the models and simulation tools in combination with selective parametric and uncertainty analysis. This solution approach could blaze the trail for commercial adoption of such technologies. The facilities, simulation capabilities, and research opportunities available at INL in regard to such reactors and the integrated energy systems with which they go hand in hand are also discussed briefly, and may spark interest in deeper research as well as new collaborative projects.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Upsampling Monte Carlo Reactor Simulation Tallies in Depleted Sodium-Cooled Fast Reactor Assemblies Using a Convolutional Neural Network

The computational demand of neutron Monte Carlo transport simulations can increase rapidly with the spatial and energy resolution of tallied physical quantities. Convolutional neural networks have been used to increase the resolution of Monte Carlo simulations of light water reactor assemblies while preserving accuracy with negligible additional computational cost. Here, we show that a convolutional neural network can also be used to upsample tally results from Monte Carlo simulations of sodium-cooled fast reactor assemblies, thereby extending the applicability beyond thermal systems. The convolutional neural network model is trained using neutron flux tallies from 300 procedurally generated nuclear reactor assemblies simulated using OpenMC. Validation and test datasets included 16 simulations of procedurally generated assemblies, and a realistic simulation of a European sodium-cooled fast reactor assembly was included in the test dataset. We show the residuals between the high-resolution flux tallies predicted by the neural network and high-resolution Monte Carlo tallies on relative and absolute bases. The network can upsample tallies from simulations of fast reactor assemblies with diverse and heterogeneous materials and geometries by a factor of two in each spatial and energy dimension. The network’s predictions are within the statistical uncertainty of the Monte Carlo tallies in almost all cases. This includes test assemblies for which burnup values and geometric parameters were well outside the ranges of those in assemblies used to train the network.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

A machine learning pipeline for identifying infiltration managed aquifer recharge locations from satellite imagery in the San Joaquin Valley, California

This study focuses on an agricultural region in California’s Central Valley, USA, where Managed Aquifer Recharge (MAR) is widely implemented to mitigate groundwater depletion under increasing water demand and climate variability. A deep learning and machine learning framework was developed to identify infiltration-MAR locations using satellite imagery and environmental data. The framework integrates surface water detection from Sentinel-2 imagery, geospatial delineation of water bodies, spatiotemporal tracking of water body dynamics, and supervised classification using meteorological, environmental, and topographic variables. The framework was applied to a 2379 km² study area southwest of Fresno, where 765 water bodies were detected, including 139 identified MAR sites based on publicly available datasets and expert knowledge. The classification model achieved an accuracy of 0.94 and an F1 score of 0.85. Feature importance analysis indicates that cropland, normalized difference vegetation index (NDVI), and evaporation are among the most influential predictors for infiltration-MAR. Notably, the framework suggests that engineered water management in infiltration-MAR systems can disrupt or even reverse the expected positive correlation between surface water extent and precipitation. These findings provide physically interpretable insights into the characteristics of existing infiltration-MAR facilities and demonstrate the potential of the proposed framework as a reproducible, interpretable, and potentially transferable tool for data-driven infiltration-MAR identification and inventory development under growing climatic and hydrological uncertainty.

Classification↗
DOE OSTI2020

Climate-Water Impacts on Interconnection-Scale Electricity System Planning

A growing literature emphasizes the importance of integrating climate change impacts into electricity system planning. Rising average temperatures can increase and shift electricity demand while reducing generator and transmission efficiency. Changes to water availability and quality can reduce the output of thermally cooled generators and hydropower. Electric power grids across the US and globally are undergoing transformational changes that present new opportunities and challenges to reliability assurance. However, electric utilities and system operators have limited internal capabilities to incorporate these effects into planning practices. This work addresses gaps in utility and system planner practices by integrating climate-water-electricity expertise from universities and U.S. Department of Energy National Laboratories with electricity system planners and stakeholders in the Western Electricity Coordinating Council (WECC). Using a highly collaborative approach, global climate model data, high-resolution hydrology models, and long-term electric sector capacity expansion tools are employed to analyze a range of climate outcomes for future electricity scenarios aligned with recent WECC planning studies. Doing so allows WECC to expand its climate-agnostic planning assessments to consider how future temperature and precipitation patterns could influence generation and transmission planning. We explore how changes to climate-water conditions can affect power plant investment and operation, system economics, and environmental impacts, providing an expanded perspective on interconnection-wide decision making under climate uncertainty.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Emerging Contaminants: Identification, Life Cycle, and Key Challenges - 20415

The term 'emerging contaminants' and its multiple variants has come to refer to previously overlooked compounds discovered in the environment which represent a potential threat to human and ecological receptors. These compounds may be discovered in the environment as new analytical techniques are developed and/or as new monitoring programs for drinking water and groundwater are implemented, while the threat to receptors may be realized through advances in understanding of toxicology and pathways to receptors. Emerging contaminants present unique and considerable challenges as demands to address them can outpace the understanding of their toxicity, their need for regulation, their occurrence, and techniques for treating the environmental media they affect. With these challenges in mind, this paper serves as a primer for understanding emerging contaminants. The paper will lay a foundation for understanding emerging contaminants through three key topics: 1. Who identifies emerging contaminants? An overview of the various stakeholder groups around the world working on identifying potential emerging contaminants and developing systems for screening potential candidates, prioritizing, and ultimately generating regulations will be provided. 2. How Chemicals Rise into Awareness as Emerging Contaminants. The process by which contaminants emerge through a cycle of awareness, characterization, management and regulation will be discussed. Current emerging contaminants will be discussed in the context of the life cycle: emerging contaminants where impacts to drinking water supplies are driving public awareness (e.g. per and polyfuoroalkyl substances (PFASs) and 1,4-dioxane), emerging contaminants impacted by changing regulatory standards or development and debate on toxicity (e.g., hexavalent chromium, 1,2,3-trichloropropane, trichloroethylene in vapor intrusion), and those with evolving understanding of impacts and usage (e.g., microplastics). 3. Key Challenges. Unique challenges associated with emerging contaminants, including visibility and public sensitivity, uncertainty and vulnerability, will be discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Thermal property characterization of phase change materials in building applications: A systematic review of fundamentals, recent progress, and future directions

Phase change materials (PCMs) can reduce building peak loads and enable demand-responsive thermal energy storage (TES), but their deployment depends on reliable measurement and interpretation of thermal properties across laboratory, intermediate, and application scales. Here, this review systematically examines characterization methods, testing protocols, and recent advances for neat PCMs and PCM composites, emphasizing thermal conductivity, enthalpy-related properties (phase change temperature, latent heat, specific heat), and cycling stability. For thermal conductivity, we compare steady-state and transient techniques and note limitations when phase transition and contact resistance affect measurements. For enthalpy–temperature characterization, we discuss differential scanning calorimetry together with intermediate- and bulk-scale methods, including T-history, heat flow meter testing, and three-layer calorimetry (3LC), to generate application-relevant enthalpy–temperature profiles. Cycling stability is organized into four experimental families: thermoelectric–air, fully thermoelectric, water-bath, and in situ chamber approaches, with attention to separating reversible supercooling from true degradation such as phase segregation. We highlight emerging noncontact diagnostics, including infrared thermography and embedded sensing, for spatially resolved validation and multiscale interpretation. Finally, we review the growing use of AI and machine learning for property prediction, inverse characterization from experimental signals, and real-time state estimation in building-integrated TES. Key needs include harmonized protocols, interlaboratory benchmarking, uncertainty reporting, and metadata-rich datasets to accelerate reproducible PCM qualification for grid-flexible buildings.

AI↗
DOE OSTI2020

An open source fast fluid dynamics model for data center thermal management

Although computational fluid dynamics (CFD) has been widely adopted to improve data center thermal management, the high computational demand limits its applications, such as multivariate optimal design and operation. Fast fluid dynamics (FFD), which has been applied for fast airflow simulation, shows great potential. However, few research applied FFD for optimal design and operation of data center thermal management. This research improves the FFD model for data centers and conducts a comprehensive evaluation and demonstration. First, the FFD model is improved by solving the advection and diffusion equations together using an upwind scheme instead of a semi-Lagrangian advection solver in the conventional FFD model. Second, new features for data centers are added, such as a pressure correction method to simulate plenum airflow and dynamic boundary conditions for IT racks. The new FFD model is first validated with two indoor environment cases and the results show that the new FFD model has slightly better overall prediction accuracy and faster speed compared to the conventional FFD model. It is also observed that both FFD models achieve acceptable accuracy, except for a few localized disparities with experimental data, which might be due to simplified handling of turbulence viscosity near the boundaries. Furthermore, validation with a real data center shows that the FFD model achieves a similar level of accuracy as CFD when compared to the experimental measurements with some level of uncertainties. It is then demonstrated for data center optimal design and operation, which saves 53.4–58.8% of annual energy while still meeting the thermal requirements. In conclusion, with a much faster speed and comparable accuracy compared to CFD, the FFD model parallelized on a graphics processing unit is promising for practical model-based data center early design and operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Scenarios of Nuclear Energy Use in the United States for the 21st Century

The uncertainty in the cost of nuclear energy coinciding with efforts to address climate change are contributing to the uncertainty in the future role of nuclear energy in the US electricity system and the response to addressing global climate change. Sensitivity cases of alternative nuclear capital costs, ranging from 2600 to 6600 $\$ $/kW, were investigated with scenarios of alternative carbon mitigation policies, including 50, 100, and 150 $\$ $/tCO 2 carbon tax cases and economy-wide net-zero goals by 2050, 2060, and 2070 for the US. The resulting US nuclear power capacity ranged from 130 to 240 GW in 2050 and 90 to 450 GW in 2100 from nuclear cost sensitivity cases without carbon mitigation policies. Imposing policies to achieve the decarbonization of electricity and net-zero emission goals increased the range of nuclear power capacity from 190 to 460 GW in 2050 and 210 to 850 GW by 2100, where the range is from the low and high nuclear cost cases. Carbon penalties beyond 100 $\$ $/tCO 2 had a diminishing role on the expansion of nuclear power as the electricity sector becomes fully decarbonized. The 50 $\$ $/tCO 2 tax had the nuclear capital cost equivalency of 1000 $\$ $/kW reduction, while the 100 $\$ $/tCO 2 tax had the equivalency of 2000 $\$ $/kW reduction. Net-zero goals increased the contribution of nuclear power due to the increase in total electricity demand, but the delay in the timing of net-zero did not significantly affect the role of nuclear in the long-term. All net-zero goals were similar in their energy system impact with resulting carbon tax levels reaching 300 $\$ $/tCO 2 . Electricity is fully decarbonized in the net-zero scenarios and carbon pricing beyond 100 to 150 $\$ $/tCO 2 had little influence on the additional deployment of nuclear power. Regardless of the carbon policy, however, nuclear capital cost reductions had a clear and pronounced impact on the expanded deployment of nuclear power under all scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Heavy-Duty Low-Temperature and Diesel Combustion & Heavy-Duty Combustion Modeling (FY 2018 Annual Progress Report)

Regulatory drivers and market demands for lower pollutant emissions, lower carbon dioxide emissions, and lower fuel consumption motivate the development of clean and fuel-efficient engine operating strategies. Most current production engines use a combination of both in-cylinder and exhaust emission control strategies to achieve these goals. The emissions and efficiency performance of in-cylinder strategies depend strongly on flow and mixing processes associated with fuel injection. Both heavy- and light-duty engine/vehicle manufacturers use multiple-injection strategies to reduce noise, emissions, and fuel consumption. For both conventional and low-temperature diesel combustion, the state of knowledge and modeling tools for multiple injections are far less advanced than for single-injection strategies. Engine efficiency is limited to some degree by tradeoffs that must be accepted to meet particulate matter (including soot) emissions limits. Recent work on this project has filled some knowledge gaps on soot oxidation with multiple injections, and the current work for Fiscal Year (FY) 2018 addresses knowledge gaps on soot formation for multiple injections. While total in-cylinder soot is readily measured, discerning formation from oxidation is difficult. The FY 2018 experiments are designed to create in-cylinder conditions at the threshold of soot formation, where processes that affect soot formation can be more readily discerned. Soot formation pathways under such conditions are fraught with uncertainties, and soot models significantly overpredict polyaromatic hydrocarbon (PAH) and soot, so experimental data at these conditions will provide much needed data for improvements to PAH and soot models.

02 PETROLEUM↗
DOE OSTI2022

Water use in a young Pinus taeda bioenergy plantation: Effect of intensive management on stand evapotranspiration

Abstract The increasing demand for plant‐derived bioenergy is projected to expand tree plantations with intensive silviculture and improved tree genetics. These silvicultural practices result in faster stand development and canopy closure, which may also influence the systems' water dynamics. Here, we studied the evapotranspiration (ET) of a young (5 years old) intensively managed loblolly pine ( Pinus taeda ) stand and investigated the components of ET to determine its contribution to overall water use. We also compared ET with plantations that received less intensive management to determine whether our stand used more water. We used the eddy covariance method to estimate ecosystem‐level total ET (ET EC ), while plot‐level estimates of ET (ET P ) were obtained via soil lysimeters, sap flow sensors, and throughfall collectors, enabling measurement of the components of ET. Soil evaporation (Es) was the largest component of ET P (36%) over the course of the study, while transpiration and canopy interception accounted for 27% and 22%, respectively. Es decreased with stand development, while transpiration and canopy interception increased. Leaf area index (LAI) and precipitation were the most significant factors controlling ET and its components. Compared to previous studies in different sites that have similar age but lower LAI, our stand had higher water use. This high water use in the early stages of stand development was primarily due to high Es before the canopy was fully developed. While there are potential sources of uncertainty when comparing ET EC and the component fluxes in ET P , results from the two methods were not significantly different. This study had the advantage of using multiple methods to understand and verify the component processes that contribute to ET. Therefore, we recommend that multiple measurement techniques be used in the long‐term observation of ET, and in particular for the evaluation of the impact that intensively managed forests have on water resources in the southeastern United States.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

H-2-SALT: Storing Fossil Energy as Hydrogen in Salt Caverns

Hydrogen storage in subsurface caverns is known as perhaps largest and longest-term energy storage system. While few such systems are currently in service (e.g., Texas; Teesside, UK), they are envisioned as being a pillar of the current energy transition that will allow intermittent power production from renewable sources (e.g., wind, solar) to be balanced with demand at grid-scale. In addition, hydrogen energy storage can allow existing fossil power plants to run more economically either by minimizing startups/shutdowns or by allowing them to take advantage of arbitrage. Finally, stored hydrogen can feed a variety of non-power users such as pipeline gas, heating, transportation, and manufacturing. The H-2-SALT paper study assessed the feasibility of a power-to-hydrogen system utilizing salt cavern storage of hydrogen in bedded salt in central Kansas, where over 750 such caverns have been constructed to date, of which approximately 350 are still in service. Legacy well and salt cavern data were collected to develop a regional geological database for two sites in Central Kansas and adjacent areas for use in more detailed geological and geomechanical site characterization efforts. This study found commercial viability and competitiveness of large-scale, electrolytic H 2 production and storage ($1.78 per kg H 2 ) that can be used for both electrical power supply to the grid during high-priced electricity periods (including co-firing with NG and fuel cell power production) and sale of H 2 for various industries, such as petrochemicals or transportation. The commercial potential of the H-2-SALT system is also relatively high because each of its components operate commercially today. It is recommended that a stratigraphic test well be drilled to collect log data and core samples that can reduce uncertainty surrounding geological and geomechanical properties of the salt beds that will be required for further cavern and energy storage system design studies.

03 NATURAL GAS↗
DOE OSTI2023

A Supply Chain Road Map for Offshore Wind Energy in the United States

"A Supply Chain Road Map for Offshore Wind Energy in the United States" identifies pathways to developing a domestic offshore wind supply chain that can manufacture and deploy the major components needed to set the United States on a pathway to installing 30 GW of offshore wind by 2030 and 110 GW by 2050. The report estimates that this supply chain could require an investment of at least $\$$22.7 billion this decade to meet an annual demand for components, ports, and vessels in 2030. Although this is a considerable investment, it could allow the industry to install around $\$$100 billion worth of offshore wind this decade by reducing risk of delays due to global supply chain bottlenecks and creating a robust network of assets that will continue to be effective well beyond 2030. The United States would need at least 34 manufacturing facilities employing 10,000 workers, 39,000 jobs in the supporting supply chain, 10 marshaling ports, 4-6 dedicated wind turbine installation vessels, 4-6 dedicated heavy-lift vessels, and 4-8 U.S.-flagged specialized feeder barges to come online this decade to support an average annual deployment of 4-6 gigawatts offshore wind capacity per year. This supply chain could be developed in 6-9 years, but would require near-term decision making and efficient permitting and planning to strategically develop these resources by 2030. Additional investment and expansion would be required in the 2030s as the sector expands into new regions (such as the Gulf of Mexico) and new technologies (such as larger wind turbines and floating wind energy projects). Furthermore, the planning process needs to meaningfully engage with communities that will be impacted by supply chain expansion to achieve just outcomes and maximize benefits to these stakeholders, which will result in a more equitable and sustainable supply chain. While U.S. offshore wind has made significant progress in recent years, remaining supply chain challenges include uncertainty surrounding deployment and procurement timelines; a lack of port and vessel infrastructure; and limitations in the available workforce, supporting supplier networks, and energy justice best practices. However, many of these problems can be addressed through improved communication between key stakeholder groups, support from federal and state governments, and forward-thinking designs of supply chain assets to accommodate future technology changes for fixed-bottom and floating offshore wind. Although it is a significant task, developing these domestic capabilities represents a once-in-a-generation opportunity to contribute to a decarbonized energy future and also create massive economic benefits that are distributed throughout the country.

17 WIND ENERGY↗
DOE OSTI2022

Development of a water source heat pump hardware-in-the-loop (HIL) testing facility for smart building applications

Over the last decade, the global fight against climate change through electrification has led to an increase in research on building heating, ventilation, and air conditioning (HVAC) systems that utilize intelligent control algorithms to provide demand-side grid service while maintaining the thermal comfort of building occupants. As the pivotalpoint between building electricity consumption and indoor thermal comfort, high-efficiency electrical heatpumps are at the center of these emerging studies, and various grid-interactive and occupant-comfort control algorithms have been developed for them. The impact of these algorithms on the heatpump operation andperformance under different weather, building load, and grid requests calls for investigation and verification via experimental tests with actual heat pumps integrated with real-time building and grid responses. This study presents a Water-Source Heat Pump Hardware-in-The-Loop (HIL) Test Facility developed with the capability to perform such tests. The hardware configuration for this testfacility introduces a hydronic system that emulates the conditions for the heat pump water-side, and a duct system that emulates conditions for the heat pump airside. Both data acquisition and emulator control are implemented through the National Instruments (NI) LabVIEW software running on an NI PXIplatform. The HIL mechanism based on the hardware-software integration that allows the testbed to communicate with a generic simulation environment is also discussed. Currently, the test facility setup includes a single heatpump and virtual building model in EnergyPlus coupled with an occupant behavioral model in MATLAB. Preliminary test results of the current setup demonstrate the building load emulator's ability to track the simulated gone temperature with a Root Mean Square Deviation (RSME) below 0.12°C (0.216°F). An uncertainty analysis based on sensor accuracies shows that the heat pump coefficient of performance (COP) can be measured with a relative uncertainty of 10.4% in cooling and 3.7% in heating. Apartfrom the current testing on a single heat pump, the test facility also provides the flexibility to include additional heat pumps to form a heat pump cluster, as well as coupling the heat pump with active thermal storage to provide enhanced demandflexibility.

Calfa, Caleb↗