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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 OSTI2025

Hydrogen and Electric Charging Infrastructure for Heavy-Duty Trucks: A Nationally Scalable Megaregion Assessment

Decarbonizing regional and long-haul freight is challenging due to the limitations of battery-electric commercial vehicles and infrastructure constraints. Hydrogen fuel cell medium- and heavy-duty vehicles (MHDVs) offer a viable alternative, aligning with the decarbonization goals of the Department of Energy and commercial entities. Historically, alternative fuels like compressed natural gas and liquefied propane gas have faced slow adoption due to barriers like infrastructure availability. To avoid similar issues, effective planning and deploying zero-emission hydrogen fueling infrastructure is crucial. This research develops deployment plans for affordable, accessible, and sustainable hydrogen refueling stations, supporting stakeholders in the decarbonized commercial vehicle freight system. It aims to benefit underserved and rural energy-stressed communities by improving air quality, reducing noise pollution, and enhancing energy resiliency. This research also provides a blueprint for replacing diesel in over-the-road Class 8 freight truck applications with hydrogen fueling solutions. The study focuses on the Texas Triangle Megaregion (I-45, I-35, and I-10), the I-10 corridor between San Antonio, TX, and Los Angeles, CA, and the I-5/CA-99 corridors between Los Angeles, CA, and San Francisco, CA. This area represents a significant portion of U.S. heavy-duty freight movement, carrying ~8.5% of the national freight volume. Using the OR-AGENT (Optimal Regional Architecture Generation for Efficient National Transport) modeling framework, the study conducts an advanced assessment of commercial vehicles, road and freight networks, and energy systems. The framework integrates data on freight mobility, traffic, weather, and energy pathways to deliver a region-specific, optimized vehicles powertrain architectures, infrastructure deployment solutions, operational logistics, and energy pathways. By considering all vehicle origin-destination pairs utilizing these corridors and all feasible fueling station location options, the framework's genetic algorithm identifies the minimum number and optimal locations of hydrogen refueling stations, ensuring no vehicle is stranded. It also determines fuel schedules and quantities at each station. A roadmap for station deployment based on multiple adoption trajectories ensures a strategic rollout of hydrogen refueling infrastructure.

Sujan, Vivek [ORNL] (ORCID:0000000269882342)↗
DOE OSTI2024

Opportunities for Process Intensification with Membranes to Promote Circular Economy Development for Critical Minerals

Critical minerals are essential to the future of clean energy, especially energy storage, electric vehicles, and advanced electronics. In this paper, we argue that process systems engineering (PSE) paradigms provide essential frameworks for enhancing the sustainability and efficiency of critical mineral processing pathways. As a concrete example, we review challenges and opportu-nities across material-to-infrastructure scales for process intensification (PI) with membranes. Within critical mineral processing, there is a need to reduce environmental impact, especially con-cerning chemical reagent usage. Feed concentrations and product demand variability require flex-ible, intensified processes. Further, unique feedstocks require unique processes (i.e., no one-size-fits-all recycling or refining system exists). Membrane materials span a vast design space that allows significant optimization. Therefore, there is a need to rapidly identify the best opportunities for membrane implementation, thus informing materials optimization with process and infrastructure scale performance targets. Finally, scale-up must be accelerated and de-risked across the materials-to-process levels to fully realize the opportunity presented by membranes, thereby fostering the development of a circular economy for critical minerals. Tackling these challenges requires integrating efforts across diverse disciplines. We advocate for a holistic molecular-to-systems perspective for fully realizing PI with membranes to address sustainability challenges in critical mineral processing. The opportunities for PI with membranes are excellent applications for emerging research in machine learning, data science, automation, and optimization.

Dougher, Molly↗
DOE OSTI2026

Revolutionizing thermal Management in Next-Generation AI data centers: Challenges and breakthrough innovations

Data centers (DCs) serve as critical infrastructure for powering the growth and evolution of AI. Next-generation AI DCs present unique challenges in thermal management driven by unprecedented computational demands. This paper provides a comprehensive summary of key stakeholder perspectives on technology gaps, infrastructure requirements, test bed needs, emerging opportunities, and preliminary solutions related to thermal management for AI DCs. It establishes six strategic pillars of thermal management for next generation AI DC: reliability, deployability, efficiency, resilience, measurability, and valorization. The discussion spans a range of critical topics, including advanced cooling technologies, thermal strategies for emerging modular and edge DCs, system-level optimization and control frameworks, infrastructure planning and grid integration designs, benchmarking approaches, and pathways for waste heat recovery and reuse. The proposed research, development, and demonstration efforts are aimed at accelerating the deployment of AI DCs while ensuring energy efficiency, reliability, safety, and regulatory compliance.

Wang, Pengtao [ORNL] (ORCID:0000000214713429)↗
DOE OSTI2026

Benchtop Autonomous Electrochemical Characterization System for Combinatorial Thin-Film Solid Oxide Electrodes

The design of materials for electrochemical energy conversion is complicated by a vast search space of candidate materials and multifaceted property requirements: multicarrier conductivity, stability, and catalytic activity are all necessary but rarely intersect. Although self-driving laboratories are rapidly rising to address such material optimization problems, the required infrastructure for integrated, large-scale robotic facilities can be cost-prohibitive. Here we develop and evaluate a closed-loop measurement system for efficient screening of proton-conducting oxide electrodes for ceramic fuel cells and electrolyzers, building on top of an existing benchtop instrument and integrating techniques for rapid impedance measurement and automated analysis. This system exemplifies a “minimum viable” self-driving implementation that can deliver substantial benefits with relatively simple infrastructure. Combinatorial thin-film microelectrode libraries are characterized with a recently developed joint time-domain and frequency-domain impedance measurement technique, which provides an order-of-magnitude acceleration relative to conventional impedance spectroscopy. The distribution of relaxation times is extracted from impedance data and analyzed without human intervention. These results feed an active learning and Bayesian optimization process that learns to predict electrochemical impedance as a function of material composition, measurement temperature, oxygen partial pressure, and electrical bias, which further reduces the screening time by tenfold with optimized experimental sequences. We apply this system to Ba⁡(Co,Fe,Zr,Y)⁢O 3−𝛿 combinatorial libraries and evaluate its effectiveness for learning material property trends and optimizing expensive-to-evaluate properties such as activation energy. This offers insights into key methodological aspects of practical autonomous experimentation, including surrogate model validation, cost-aware acquisition functions, and high-throughput data interpretation. Our results demonstrate the efficacy of the system for rapidly gathering information, but also highlight real-world experimental challenges of thin-film degradation and numerical instability in surrogate models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

OR-AGENT framework – Architecting electrified heavy-duty drayage applications

The widespread adoption of zero-emission vehicles in heavy-duty (HD) commercial freight transportation faces considerable technoeconomic challenges. For heavy-duty trucks, ensuring high uptime, cost parity with diesel, and safety standards is especially critical as these vehicles operate over long distances with heavy loads, where any downtime or off-nominal behaviors significantly impacts logistics, productivity, and the total cost of ownership. Unlike traditional diesel refueling, BEV charging infrastructure must be co-optimized with vehicle deployment, operational demands, and grid capacity to ensure cost-effective and reliable freight operations. However, the lack of a standardized ownership and service model has led to a fragmented approach—where commercial vehicle operators may invest in, own, and maintain both vehicle/batteries and charging/energy infrastructure. This disconnect may exclude energy service providers from the equation, forcing fleet operators to explore ‘behind-the-fence’ energy solutions that increase capital investment, operational downtime, overhead costs, and, in some cases, net carbon emissions. To address these issues, this study introduces OR-AGENT (Optimal Regional Architecture Generation for Efficient National Transport), a comprehensive modeling framework that integrates powertrain architectures, charging infrastructures, and energy backbone systems into a cohesive strategy. In this paper, OR-AGENT is applied to develop an interconnected systems architecture for energy efficiency and resiliency enhancement of heavy-duty drayage vehicles at the Port of Savannah, GA. This framework showcases an interconnected systems approach to electrifying heavy-duty drayage vehicles at the Port of Savannah, GA. The study assessed BEVs with 400–1200 kWh battery capacities, accounting for seasonal variations in weather and freight routing. A diverse charging mix (150 kW–1250 kW) was evaluated alongside grid capacity constraints, cost, and carbon intensity analysis, leading to the development of a strategic microgrid/Distributed Energy Resources (DER) deployment architecture to ensure a reliable and sustainable transition. However, the findings also highlight the need for alternative zero-emission solutions for remaining trips, such as larger batteries, electrified roadways, hydrogen powertrains, or net-zero emission fuels. In conclusion, the findings are incorporated into a Total Cost of Ownership (TCO) model to identify optimal architectures for an interconnected electrified ecosystem.

Commercial vehicles↗
DOE OSTI2023

A Voltage Inference Framework for Real-Time Observability in Active Distribution Grids

Active distribution grids are gaining traction to meet the growing environmental, socio-economic, and sustainability targets. Various advanced smart grid technologies facilitate the integration of Distributed Energy Resources (DERs) by supporting the bi-directional power flow. The limited observability of distribution grids, primarily related to their location at the very edge of power system infrastructure, brings challenges to optimal grid management. Moreover, only a limited number of measurements at regular intervals are usually available. This paper presents a novel inference framework, referred to as “Voltage Inference”, to overcome the observability issues. The proposed framework employs a prediction step based on the Multivariate Taylor series approximation, followed by a corrector step that minimizes the estimation error to infer the otherwise unknown voltages from the available measurements. Furthermore, numerical results on the IEEE 13-bus test feeder validate the accuracy and computational performance of the proposed framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Performance Study of CXL Memory Topology

This paper presents a comprehensive evaluation of the performance impact of various Compute Express Link (CXL) memory topologies, with a particular emphasis on CXL switches, in the context of High- Performance Computing (HPC) and Large Language Model (LLM) inference workloads. Our study unveils significant performance variations across different topologies, demonstrating that certain configurations yield superior performance for specific workloads. These findings underscore the critical importance of tailored topol- ogy selection in optimizing system performance. Additionally, we address the inherent challenges associated with integrating CXL switches, including overhead considerations and routing complex- ities. Our research highlights the necessity for thorough evalua- tion methodologies to fully leverage CXL technology’s potential in contemporary computing environments. These insights provide valuable guidance for system architects and data center operators in designing and optimizing CXL-based infrastructures for diverse workload requirements.

CXL, memory, Artificial Intelligence (AI), HPC↗
DOE OSTI2022

SimCCS: CCS Infrastructure Decision Support [Slides]

SimCCS can help determine optimal, regional network of CO 2 sources, CO 2 sinks and CO 2 transport infrastructure that meet desired CCS goals. Deployment of large-scale CCS will require large-scale regional infrastructure. Strategic investments in developing regional CO 2 transportation infrastructure can facilitate timely CCS deployment (including at large-scale). Economies of scale can help to minimize costs. Development of effective & efficient CCS infrastructure requires taking into consideration characteristics of point sources (for capture), region (for transport) and sinks (for storage).

58 GEOSCIENCES↗
DOE OSTI2022

PRO-X Fuel Cycle Transportation and Crosscutting Progress Report

The PRO-X program is actively supporting the design of nuclear systems by developing a framework to both optimize the fuel cycle infrastructure for advanced reactors (ARs) and minimize the potential for production of weapons-usable nuclear material. Three study topics are currently being investigated by Sandia National Laboratories (SNL) with support from Argonne National Laboratories (ANL). This multi-lab collaboration is focused on three study topics which may offer proliferation resistance opportunities or advantages in the nuclear fuel cycle. These topics are: 1) Transportation Global Landscape, 2) Transportation Avoidability, and 3) Parallel Modular Systems vs Single Large System (Crosscutting Activity).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

PRO-X Parallelization Study

The proliferation resistance optimization (PRO-X) program is actively supporting the design of nuclear systems by developing a framework to both optimize the fuel cycle infrastructure for nuclear reactor (including both advanced reactors (ARs) and research reactors (RRs)) and minimize the potential for production of weapons-usable nuclear material (Figure 1). One area of interest is in the impact a modular approach to bulk handling fuel cycle facilities could have on meeting safeguards requirements to identify future areas of growth within the proliferation resistance space. This study evaluates how changing the number of streams within a fuel cycle facility could impact a facilities ability to meet both domestic and international safeguards requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Integrating Electric Vehicle Charging Infrastructure into Commercial Buildings and Mixed-Use Communities: Design, Modeling, and Control Optimization Opportunities: Preprint

This paper discusses modeling and field studies of controlled EV charging that have been performed with the goal of minimizing requirements for infrastructure upgrades, minimizing building peak demand charges, and maximizing the use of on-site generation. We present a large-scale workplace charging pilot of a demand-controlled scheduled EV charging system with over 250 active daily commuters, successfully demonstrating management of aggregate charging power to avoid new infrastructure investments, mitigate peak demand charges, and provide cost-effective workplace charging to users. In addition to understanding opportunities for demand management, integrating these controllable loads into the energy modeling process for new buildings will also be necessary. This paper then presents an example energy modeling process that evaluates the potential effects of EV charging on building load profiles and infrastructure requirements for a mixed-use community. Finally, we discuss an illustration of how EV charging can be controlled to be synergistic with other building loads and distributed generation.

buildings↗
DOE OSTI2022

A Multi-Objective Approach for Optimizing Edge-Based Resource Allocation Using TOPSIS

Existing approaches for allocating resources on edge environments are inefficient and lack the support of heterogeneous edge devices, which in turn fail to optimize the dependency on cloud infrastructures or datacenters. To this extent, we propose in this paper OpERA, a multi-layered edge-based resource allocation optimization framework that supports heterogeneous and seamless execution of offloadable tasks across edge, fog, and cloud computing layers and architectures. By capturing offloadable task requirements, OpERA is capable of identifying suitable resources within nearby edge or fog layers, thus optimizing the execution process. Throughout the paper, we present results which show the effectiveness of our proposed optimization strategy in terms of reducing costs, minimizing energy consumption, and promoting other residual gains in terms of processing computations, network bandwidth, and task execution time. We also demonstrate that by optimizing resource allocation in computation offloading, it is then possible to increase the likelihood of successful task offloading, particularly for computationally intensive tasks that are becoming integral as part of many IoT applications such robotic surgery, autonomous driving, smart city monitoring device grids, and deep learning tasks. The evaluation of our OpERA optimization algorithm reveals that the TOPSIS MCDM technique effectively identifies optimal compute resources for processing offloadable tasks, with a 96% success rate. Moreover, the results from our experiments with a diverse range of use cases show that our OpERA optimization strategy can effectively reduce energy consumption by up to 88%, and operational costs by 76%, by identifying relevant compute resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Mobile Edge Computing Framework for Traffic Optimization At Urban Intersections Through Cyber-Physical Integration

The stop-and-go traffic pattern on urban roads often results in excessive energy consumption because of unnecessary vehicle braking, idling, and accelerations. With the widespread and increased use of automobiles, this traffic pattern creates many negative impacts (e.g., delayed travel time, air pollution, and additional carbon emission) on the sustainability of our cities. Taking advantage of the recent emerging Internet of Things (IoT) and edge computing paradigms, we propose a mobile edge computing framework that integrates the capability of real-time vehicle-to-infrastructure communication and intelligent speed optimization algorithms into a mobile app to optimize individual vehicles' driving speed at signalized intersections. The optimization aims to mitigate the stop-and-go traffic pattern and its undesirable consequences in urban transportation systems. The framework consists of (1) a cyberinfrastructure-enabled dynamic messaging system for retrieving and delivering real-time traffic and signal phase and timing information from IoT-connected signal controllers and sensors, (2) a real-time speed optimization algorithm for generating intelligent speed advisory using vehicle's information (e.g., GPS and driving directions from mobile sensing) and corresponding signal and traffic information, and (3) an ad-hoc mobile computing environment that converts drivers' smartphones into edge devices to host the speed optimization algorithms for enabling intelligent advisory on the vehicle's driving speed within signalized corridors. The paper presents the design and implementation of the proposed framework. Finally, we demonstrate the feasibility, usefulness, and energy-saving benefits of our proposed framework and its prototyping mobile app on urban transportation systems through traffic simulation, real-vehicle laboratory experiments, an evaluative survey, and field communication tests. The simulation-based energy evaluation results show that the 100% usage of the mobile app can achieve 24% energy savings in the transportation system.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Focused Ion Beam Tomography of Alloy 617 Corroded in Molten Chloride Salt

Materials qualification of reactor structural materials is a critical step in rapid implementation of advanced nuclear reactor technologies, particularly to assess the corrosion performance in these designs. Accelerated qualification of reactor structural materials requires incorporating powerful computational toolsets, such as phase field modelling in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, to predict the evolution of structural materials due to corrosion. Accordingly, computational toolsets will require experimental data generated at appropriate length scales to validate accuracy. Focused ion beam (FIB) provides a high degree of control over manipulation of materials for analytical purposes, including capturing data on the evolution in the microstructure and elemental composition of materials at the mesoscale, an appropriate length scale for phase field modelling of intergranular diffusion phenomena using the MOOSE framework. For instance, the FEI Helios G4 UX dual beam plasma FIB microscope at the Irradiated Materials Characterization Laboratory (IMCL) is capable of backscatter diffraction (EBSD) and energy-dispersive x-ray spectroscopy (EDS) documenting the evolution in the microstructure and elemental composition, respectively. The Helios can perform EDS and EBSD three-dimensionally (3D) using tomography, which is then combined using different software packages to visualize 3D volumes correlating elemental composition to microstructural data. The purpose of this investigation was to develop a streamlined characterization and data processing workflow for 3D tomography studies on the FEI Helios G4 plasma FIB. The investigation is segmented into three parts: 1) Optimizing the data collection workflow, 2) identifying appropriate data processing and visualization software (i.e. DREAM.3D, MIPAR, and VGStudioMax), and 3) establishing an infrastructure for public release. The optimization of the data collection workflow is in collaboration with members of the U220 department to setup formal training on the tomography operation of the G4, through ThermoFisher Scientific, and exploring DREAM.3D, MIPAR, and VGStudioMax data processing/visualization software packages. VGStudioMax currently demonstrates the most promise for future use. Optimization of the data collection and processing workflow is still ongoing. A collaboration with INL High Performance Computing (HPC) established an open-source license for expediting the public release of FIB tomography datasets through HPC. FIB tomography data generated by the G4 will provide comprehensive data for validating 3D phase field mesoscale modelling tools within the MOOSE framework for accelerated qualification of reactor structural materials.

Copeland-Johnson, Trishelle↗
DOE OSTI2022

Modeling Freight Traffic Demand and Highway Networks for Hydrogen Fueling Station Planning: A Case Study of U.S. Interstate 75 Corridor

The use of hydrogen as an alternative transportation fuel has gained much interest in recent years. Hydrogen can be utilized in electric vehicles equipped with hydrogen powertrains (including hydrogen internal combustion engines or fuel cells). Given that most of the freight in the U.S. is transported via diesel trucks, transition to hydrogen fuel would help achieve significant environmental benefits as well as accelerate the decarbonization of the freight transportation sector. This paper presents the methodology and results of a case study on modeling freight traffic demand and highway networks based on publicly available data for the Interstate 75 freight corridor. The purpose of this study is to prepare input traffic and network data that can support the planning of a hydrogen fueling station infrastructure. In particular, the data can be used for siting and characterizing an optimized framework of hydrogen fueling stations from candidate diesel stations along the Interstate 75 corridor. The methodologies developed and presented in this paper may be readily expanded and applied to any transport corridor given the data availability. This paper is the first in a series that will build out a comprehensive model to optimize a consolidated national hydrogen refueling infrastructure eco-system targeted at commercial vehicles.

Uddin, Majbah↗
DOE OSTI2021

Scalable Approaches to Selecting Key Entities in Large Networked Infrastructure Systems

This work aims at bringing advances in discrete optimization algorithms to solving practical engineering problems at scale. Often times, in many engineering design problems, there is a need to select a small set of influential or representative elements from a large ground set of entities in an optimal fashion. Submodular optimization provides for a formal way to solve such problems. Common examples with infrastructure systems involve sensor placement and identification of key entities with certain objectives. However, scaling these approaches to large infrastructure systems can be challenging because of the high computational complexity of the overall framework that include the optimization algorithms as well as high-complexity compute-oracles that provide the necessary objective function values. In this work, we explore a well-studied and widely-applicable paradigm, namely leader-selection in a multi-agent networked setting in the context of scalable methodologies. We demonstrate novel frameworks that utilize variations of accelerated submodular optimization algorithms along with linear-algebraic methods that can help accelerate the oracle computations. We further explore this combination in conjunction with graph partitioning paradigms to take advantage of the accelerated algorithms in a distributed setting. Finally we demonstrate the key findings on a practical problem in an operational setting. For this, we leverage an example road network with approximately 18k nodes and 27k edges in a traffic control application, where we seek a limited number of k=200 key intersections. This problem can be solved in a serial setting in just under 5 hours providing more than 2 orders of magnitude speed-up over methods that do not consider acceleration techniques.

Visweswara Sathanur, Arun↗
DOE OSTI2020

An Edge-Cloud Integrated Solution for Buildings Demand Response Using Reinforcement Learning

Buildings, as major energy consumers, can provide great untapped demand response (DR) resources for grid services. However, their participation remains low in real-life. One major impediment for popularizing DR in buildings is the lack of cost-effective automation systems that can be widely adopted. Existing optimization-based smart building control algorithms suffer from high costs on both building-specific modeling and on-demand computing resources. To tackle these issues, this paper proposes a cost-effective edge-cloud integrated solution using reinforcement learning (RL). Beside RL’s ability to solve sequential optimal decision-making problems, its adaptability to easy-to-obtain building models and the off-line learning feature are likely to reduce the controller’s implementation cost. Using a surrogate building model learned automatically from building operation data, an RL agent learns an optimal control policy on cloud infrastructure, and the policy is then distributed to edge devices for execution. Simulation results demonstrate the control efficacy and the learning efficiency in buildings of different sizes. A preliminary cost analysis on a 4-zone commercial building shows the annual cost for optimal policy training is only 2.25% of the DR incentive received. Results of this study show a possible approach with higher return on investment for buildings to participate in DR programs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Optimizing fluvial flood mitigation strategies: A multi-objective approach for cost-effective and socially-aware infrastructure feasibility analysis

Effective levee planning must balance capital cost, risk reduction, and community priorities. These objectives are rarely optimized together. This study presents a feasibility phase, simulationin-the-loop framework that couples terrain-based flood modeling with a socially aware multiobjective optimizer. Flood risk is measured as Expected Annual Exposed Population (EAEP), obtained by integrating exposure over Annual Exceedance Probability (AEP) nodes, mirroring the Hydrologic Engineering Center's Flood Damage Reduction Analysis (HEC-FDA) expected-annual formulation but with people rather than dollars. Exposure per scenario is computed by overlaying binary inundation masks with a population surface at the tract level. Distributional fairness is encoded through a Group Benefit Share (GBS) constraint that requires high-SVI tracts to receive at least a baseline share of annualized benefits. Capital cost is represented by a height-dependent unit-cost model suitable for screening. This study addresses the two-objective problem, minimize cost and expected annual exposure subject to the GBS constraint, using Non-Dominated Sorting Genetic Algorithm II (NSGA-II) and leveraging Pareto front for feasibility phase decision making. Implemented with terrain-based flood modeling, GeoFlood, for rapid scenario evaluation, the framework is demonstrated in Southeast Texas. The results reveal clear trade-offs among cost, risk, and social benefits and identify non-dominated levee height configurations that satisfy the benefit-share floor. The contributions are a scalable decision support method that operationalizes expected annual population-based risk, embeds enforceable benefit-sharing guarantees, and uses lightweight simulation to explore large design spaces before higher fidelity design stages.

Flood mitigation↗