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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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DOE OSTI2025

Bayesian inference analysis of jet quenching using inclusive jet and hadron suppression measurements

The JETSCAPE Collaboration reports a new determination of the jet transport parameter $\hat{q}$ in the quark-gluon plasma (QGP) using Bayesian inference, incorporating all available inclusive hadron and jet yield suppression data measured in heavy-ion collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC). This multi-observable analysis extends the previously published JETSCAPE Bayesian inference determination of $\hat{q}$, which was based solely on a selection of inclusive hadron suppression data. jetscape is a modular framework incorporating detailed dynamical models of QGP formation and evolution, and jet propagation and interaction in the QGP. Virtuality-dependent partonic energy loss in the QGP is modeled as a thermalized weakly coupled plasma, with parameters determined from Bayesian calibration using soft-sector observables. This Bayesian calibration of $\hat{q}$ utilizes active learning, a machine-learning approach, for efficient exploitation of computing resources. The experimental data included in this analysis span a broad range in collision energy and centrality, and in transverse momentum. In order to explore the systematic dependence of the extracted parameter posterior distributions, several different calibrations are reported, based on combined jet and hadron data; on jet or hadron data separately; and on restricted kinematic or centrality ranges of the jet and hadron data. Tension is observed in comparison of these variations, providing new insights into the physics of jet transport in the QGP and its theoretical formulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Planning decentralized urban renewable energy systems using algal cultivation for closed-loop and resilient communities

To tackle climate challenges, communities need to harvest renewable energy and resources on site locally to close the loops for enhancing the resilience of communities facing unpredictable and uncertain future changes. A decentralization planning of urban renewable energy systems is proposed by treating urban waste streams and producing biomass through applying algal biotechnology. When applying algal technology as a renewable and decentralized energy source in urban systems, the overall performance can vary by levels of urban nutrients, solar and CO 2 resources, and the transportation cost when considering its application to different urban densities, urban form, and the spatial scale of urban settings. This research explores three potential impacts on the algal system’s energy performance: (1) urban density, (2) urban form in different contexts, and (3) spatial scale. The research examines the impacts by testing urban settings given in actual contexts in Atlanta, Georgia, USA. Four neighborhoods representing the high-density urban, mid-density urban, mixed suburban, and typical suburban areas are investigated. The density-scale–performance relationships are explored through testing different urban forms of neighborhoods in both hypothetical and actual neighborhood settings. A GIS-based model is developed to estimate the overall energy performance of the decentralized renewable energy system in urban environments. Results show that the energy performance is positive mainly for high-density urban neighborhoods with small-to-medium scales, up to 0.36 MJ per ton of municipal solid wastes for actual settings and 0.37 MJ for hypothetical cases. Neighborhoods with higher density have higher energy performance while up scaling has negative effects on the energy performance with a low degree of significance. Optimal scales are found as a 1-km radius in real test beds and 1.3 km in hypothetical settings, in which the results show trade-offs between scaling effects in the system efficiency gain and the transportation cost increase.

Quan, Steven Jige↗

DOE OSTI2024

Characterization of Pliocene and Miocene Formations in the Wilmington Graben, Offshore Los Angeles, for Large-Scale Geologic Storage of CO2

The project Characterization of Pliocene and Miocene Formations in the Wilmington Graben, Offshore Los Angeles, for Large-Scale Geologic Storage of CO2 is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The Los Angeles Basin presents an opportunity for large-scale geologic CO2 storage. Due to its large population and historical and geologic setting as one of the most prolific oil and gas producing basins in the United States, the region is home to more than 12 major power plants and oil refineries that produce more than 5 million metric tons of fossil fuel-related CO2 emissions each year. GeoMechanics Technologies worked to characterize the Pliocene and Miocene sediments in the Wilmington Graben, offshore of Los Angeles, California, for high-volume CO2 storage. The Graben is located offshore of the Los Angeles and Long Beach Harbor area, making it accessible yet geologically isolated from the nearby Wilmington oilfield and onshore areas. These sediments span more than 5,000 feet of vertical interval with an estimated storage resource of more than 100 million metric tons of CO2. The project team analyzed and interpreted existing geologic data within the region, including detailed exploration well log data and 2-D and 3-D seismic data. New seismic lines were acquired to fill in current data gap areas and two new characterization wells were drilled and logged. This information was integrated with existing geologic interpretations for adjacent onshore areas to help characterize optimal areas for CO2 storage and seals to safely store CO2. Integrated 3-D geologic and geomechanical models for the Wilmington Graben were developed to simulate the fate and transport of injected CO2 in the subsurface and to assess risks. This project contributed to the understanding of injectivity, containment mechanisms, rate of dissolution and mineralization, and storage capacity of the Wilmington Graben and associated analogous basins. This effort also provided greater insight into the potential for offshore geologic formations to safely and permanently store CO2.

.las↗

DOE OSTI2024

Optimizing Distributed Training on Frontier for Large Language Models

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Loss scaling studies have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 Mi250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models. We trained these models only tens of iterations instead of training till completion.

Yin, Junqi↗

DOE OSTI2024

Distributed Wind for Commercial Loads

Distributed wind can help meet on site energy and resilience needs for a wide variety of commercial loads .While it is a variable resource, it has predictable daily and annual production trends. The presence of on-site renewable generation can enhance resilience, supplying power for long periods of time without worrying about conserving fuel supply. The addition of properly sized storage or complementary solar resources can further reduce the challenges of intermittency and reduce the need for fuel-limited backup power during outage situations. This fact sheet explores further the energy and resilience requirements of commercial loads and how distributed wind may be a good match to meet their load needs.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

Distributed Wind for Commercial Loads

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2026

Cyber-Informed Engineering: Incorporating CIE into Engineering Curricula

Cyber-Informed Engineering (CIE) is an engineering approach that mitigates the consequences of cyber risk to critical infrastructure by integrating engineered controls into system design and operation. CIE-focused education is necessary to prepare future engineers and technicians to understand and mitigate digital risk in modern engineered systems. This session explores how universities can incorporate CIE into their curricula, provides examples of how existing universities are already leveraging CIE in their programs, and highlights resources to support adoption.

99 - GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Machine Learning Model Geotiffs - Applications of Machine Learning Techniques to Geothermal Play Fairway Analysis in the Great Basin Region, Nevada

This submission contains geotiffs, supporting shapefiles and readmes for the inputs and output models of algorithms explored in the Nevada Geothermal Machine Learning project, meant to accompany the final report. Layers include: Artificial Neural Network (ANN), Extreme Learning Machine (ELM), Bayesian Neural Network (BNN), Principal Component Analysis (PCA/PCAk), Non-negative Matrix Factorization (NMF/NMFk), input rasters of feature sets, and positive/negative training sites. See readme .txt files and final report for additional metadata. A submission linking the full codebase for generating machine learning output models is available under "related resources" on this page.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

Novel Approach for Considering Ecosystem Services at Industrial Sites near Agricultural Lands - 19482

Natural resource damages from industrial operations have been studied for years at legacy sites, including the U.S. Department of Energy Hanford site in southeastern Washington State. Encompassing nearly 1,500 km{sup 2} (600 mi{sup 2}), this site represents one of the world's largest cleanup projects with an estimated cost exceeding $320 billion and perhaps double that. The site includes an extensive buffer zone beyond the relatively limited portion (15%) used for nuclear materials production and associated waste storage and disposal. Before Hanford existed, most of the local lands were used for agriculture, and that use has continued nearby. Historical data relevant to the natural resource damage assessment process include location-specific irrigation practices, rates of groundwater withdrawal, and sustainable yields. The potential for considering the benefit of an ecosystem service is also being explored. Undeveloped areas of the site have long provided natural habitat for a wide variety of species, including pollinators. Thus, adjacent agricultural lands have benefited from pollinator services for years. This study describes a novel approach for considering the benefit of increased crop value due to this pollinator service. The approach combines spatial data for local pollinator-dependent crops with pollinator abundance data. A production function is then applied to estimate the agro-economic value resulting from crop pollination. A preliminary analysis indicates that the increased value for apple crops alone near Hanford could be on the order of $80 million a year. The benefits from this ecosystem service could offer practical context as a complement to the assessment of natural resource damages. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Responses of vascular plant fine roots and associated microbial communities to whole-ecosystem warming and elevated CO 2 in northern peatlands

Warming and elevated CO 2 (eCO 2 ) are expected to facilitate vascular plant encroachment in peatlands. The rhizosphere, where microbial activity is fueled by root turnover and exudates, plays a crucial role in biogeochemical cycling, and will likely at least partially dictate the response of the belowground carbon cycle to climate changes. We leveraged the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experiment, to explore the effects of a whole-ecosystem warming gradient (+0°C to 9°C) and eCO 2 on vascular plant fine roots and their associated microbes. We combined trait-based approaches with the profiling of fungal and prokaryote communities in plant roots and rhizospheres, through amplicon sequencing. Warming promoted self-reliance for resource uptake in trees and shrubs, while saprophytic fungi and putative chemoorganoheterotrophic bacteria utilizing plant-derived carbon substrates were favored in the root zone. Conversely, eCO 2 promoted associations between trees and ectomycorrhizal fungi. Trees mostly associated with short-distance exploration-type fungi that preferentially use labile soil N. Additionally, eCO 2 decreased the relative abundance of saprotrophs in tree roots. Our results indicate that plant fine-root trait variation is a crucial mechanism through which vascular plants in peatlands respond to climate change via their influence on microbial communities that regulate biogeochemical cycles.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Solvent-driven aqueous separations for hypersaline brine concentration and resource recovery

Solvent-driven separation processes can extract water and high-value minerals from high salinity or contaminated brines, simultaneously reducing the environmental impact of brine disposal and enabling resource recovery. The efficient dewatering of hypersaline brines is essential for the sustainable minimal and zero liquid discharge processing of industrial wastewaters. Fractional crystallization can selectively extract ions from contaminated waste streams, allowing critical materials to be recycled, including transition and lanthanide metals required for renewable energy generation and storage. Mass transfer in solvent-driven water extraction occurs across a liquid–liquid interface, eliminating the scaling and fouling of membrane and heat exchanger surfaces and limiting the need for extensive pretreatment. Solvent-driven fractional crystallization can leverage sequential treatment and control of process conditions to rapidly recover salts without requiring evaporation of water. Despite promising applications, the principles and potential of solvent-driven aqueous separations remain poorly understood. This critical review explores the opportunities presented by solvent-based aqueous separations from the molecular to process scale, evaluating the chemistry of solvation and system design in the broader context of desalination, resource recovery, water softening, and mineral production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Investigating resource-efficient neutron/gamma classification ML models targeting eFPGAs

There has been considerable interest and resulting progress in implementing machine learning (ML) models in hardware over the last several years from the particle and nuclear physics communities. A big driver has been the release of the Python package, hls4ml, which has enabled porting models specified and trained using Python ML libraries to register transfer level (RTL) code. So far, the primary end targets have been commercial field-programmable gate arrays (FPGAs) or synthesized custom blocks on application specific integrated circuits (ASICs). However, recent developments in open-source embedded FPGA (eFPGA) frameworks now provide an alternate, more flexible pathway for implementing ML models in hardware. These customized eFPGA fabrics can be integrated as part of an overall chip design. In general, the decision between a fully custom, eFPGA, or commercial FPGA ML implementation will depend on the details of the end-use application. In this work, we explored the parameter space for eFPGA implementations of fully-connected neural network (fcNN) and boosted decision tree (BDT) models using the task of neutron/gamma classification with a specific focus on resource efficiency. We used data collected using an AmBe sealed source incident on Stilbene, which was optically coupled to an OnSemi J-series silicon photomultiplier (SiPM) to generate training and test data for this study. We investigated relevant input features and the effects of bit-resolution and sampling rate as well as trade-offs in hyperparameters for both ML architectures while tracking total resource usage. The performance metric used to track model performance was the calculated neutron efficiency at a gamma leakage of 10 -3 . The results of the study will be used to aid the specification of an eFPGA fabric, which will be integrated as part of a test chip.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Artificial intelligence for materials research at extremes

Abstract Materials development is slow and expensive, taking decades from inception to fielding. For materials research at extremes, the situation is even more demanding, as the desired property combinations such as strength and oxidation resistance can have complex interactions. Here, we explore the role of AI and autonomous experimentation (AE) in the process of understanding and developing materials for extreme and coupled environments. AI is important in understanding materials under extremes due to the highly demanding and unique cases these environments represent. Materials are pushed to their limits in ways that, for example, equilibrium phase diagrams cannot describe. Often, multiple physical phenomena compete to determine the material response. Further, validation is often difficult or impossible. AI can help bridge these gaps, providing heuristic but valuable links between materials properties and performance under extreme conditions. We explore the potential advantages of AE along with decision strategies. In particular, we consider the problem of deciding between low-fidelity, inexpensive experiments and high-fidelity, expensive experiments. The cost of experiments is described in terms of the speed and throughput of automated experiments, contrasted with the human resources needed to execute manual experiments. We also consider the cost and benefits of modeling and simulation to further materials understanding, along with characterization of materials under extreme environments in the AE loop. Graphical abstract AI sequential decision-making methods for materials research: Active learning, which focuses on exploration by sampling uncertain regions, Bayesian and bandit optimization as well as reinforcement learning (RL), which trades off exploration of uncertain regions with exploitation of optimum function value. Bayesian and bandit optimization focus on finding the optimal value of the function at each step or cumulatively over the entire steps, respectively, whereas RL considers cumulative value of the labeling function, where the latter can change depending on the state of the system (blue, orange, or green).

36 MATERIALS SCIENCE↗

DOE OSTI2022

Autonomous Microgrid Restoration Using Grid-Forming Inverters and Smart Circuit Breakers

The proliferation of distributed inverter-based resources (IBRs) raises the questions if these IBRs can be used to blackstart microgrids and distribution feeders after major outages. In this paper, we propose and evaluate an autonomous microgrid restoration concept using grid-forming (GFM) IBRs and smart circuit creakers (SCBs). The concept is first explored in simulation platform and then a hardware testbed containing actual GFM inverters is developed to demonstrate these functionalities. A combination of dispatchable virtual oscillator control (dVOC) and droop-based control schemes have been designed for GFM inverter controls in the software simulations and hardware testbed. Subsequently, operation of SCBs using two distinct principles have been demonstrated that can restore or connect portions of the network.

black start↗

DOE OSTI2026

Simulating competition in the US bioeconomy to produce hard‐to‐electrify transportation fuels using limited biomass resources

This study presents a novel bioeconomy optimization framework, BiOpt, designed to address critical questions regarding the strategic use of limited US biomass resources for biofuel production. By integrating detailed techno-economic analyses, life cycle assessments, and resource assessment data, BiOpt optimizes resource distributions across competing technologies to maximize economic performance and/or minimize greenhouse gas emissions. Using feedstock scenarios from the 2023 Billion Ton Study, the analysis explores optimal biomass allocations across sustainable aviation fuel, diesel, and marine biofuel conversion pathways given varying production targets and policy incentives. Results demonstrate distinct feedstock preferences and pathway utilizations when prioritizing economic returns vs. emissions reductions. For instance, fats, oils, and greases were highly favored in cost-optimized scenarios, while low-carbon feedstocks such as wet waste dominated greenhouse gas-minimized strategies. The findings underscore the pivotal role of policy incentives and technological advances in shaping biofuel supply chains and provide actionable insights for scaling sustainable biofuel production to decarbonize hard-to-electrify sectors. This framework offers a robust tool for policymakers and stakeholders to evaluate biofuel strategies that balance energy output, economic viability, and environmental impact.

09 BIOMASS FUELS↗

DOE OSTI2026

A Decomposition-Based Learn-To-Optimize Approach with Feasibility Layer Assistance for Sub-Hourly Unit Commitment

Sub-hourly unit commitment (UC) with 15-min intervals is gaining significant attention as a way to respond rapidly to the fluctuations in electricity supply and demand introduced by renewable resources. However, the increased temporal resolution and complex inter-temporal dependencies pose substantial computational challenges for traditional optimization methods. To this end, this paper explores a decomposition-based learn-to-optimize approach. Building on recent advances in machine learning, our method revisits the long- overlooked Lagrangian relaxation framework, which is a classical decomposition technique that enables tractable subproblem solving. These smaller subproblems are inherently well-suited for machine learning, as their reduced dimensionality and structural regularity allow predictive models to efficiently learn and generalize solution patterns. We thus propose a generic predictive model, which embeds Gated Recurrent Units (GRUs) and Attention in the encoder-decoder structure, and integrate a rule-based feasibility layer to capture temporal dependencies, reduce training effort, and improve feasibility w.r.t. unit-level constraints. Our method has been validated on the IEEE 118-bus system, demonstrating promising performance in solving sub-hourly UC problems efficiently and feasibly.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Probing Accuracy-Speedup Tradeoff in Machine Learning Surrogates for Molecular Dynamics Simulations

The performance promise of machine learning surrogates of molecular dynamics simulations of soft materials is significant but generally comes at the cost of acquiring large training datasets to learn the complex relationships between input soft material attributes and output properties. Under the constraint of limited high-performance computing resources, optimizing the size of the training datasets becomes paramount. Using an artificial neural network based surrogate for molecular dynamics simulations of confined electrolytes, we explore the tradeoff between surrogate accuracy and computational gains. Accuracy is assessed by computing the root-mean-square errors between the surrogate predictions and the ground truth results obtained via molecular dynamics simulations. The computational performance is judged by evaluating the speedup which incorporates the training dataset creation time. Improvement in accuracy occurs with a loss of speedup, which scales as the inverse of the training dataset size. Furthermore, the link between surrogate generalizability and the accuracy-speedup tradeoff is assessed by examining the errors incurred in surrogate predictions on unseen, interpolated input variables and developing a net speedup metric to capture the associated gains.

Anions↗

DOE OSTI2024

Hybrid power plant design for low-carbon hydrogen in the United States

In this study, we provide a nationwide techno-economic analysis of clean hydrogen production powered by a hybrid renewable energy plant for over 50,000 locations in the United States. We leverage the open-source Hybrid Optimization Performance Platform (HOPP) tool to simulate the hourly performance of an off-grid wind-solar plant integrated with a 1-GW polymer exchange membrane electrolyzer system. The levelized cost of hydrogen is calculated for varying technology costs, and tax credits to explore cost sensitivities independent of plant design, performance, and site selection. Our findings suggest that strategies for cost reduction include selecting sites with abundant wind resources, complementary wind and solar resources, and optimizing the sizing of wind and solar assets to maximize the hybrid plant capacity factor. These strategies are linked to increased hydrogen production and reduced electrolyzer stack replacements, thereby lowering the overall cost of hydrogen.

08 HYDROGEN↗