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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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At least 55 records · Page 3

Thermal Process Intensification: Transforming the Way Industry Uses Thermal Process Energy (Workshop Report)

The US Department of Energy’s (DOE’s) Advanced Manufacturing Office held the virtual workshop entitled “Thermal Process Intensification: Transforming the Way Industry Uses Thermal Process Energy” in November and December 2020. The workshop brought together participants from universities/laboratories, industries, equipment manufacturers, technology vendors, nongovernmental organizations, and subject-matter experts to discuss transformative technologies and strategies to substantially improve the performance (e.g., energy productivity, thermal efficiency, reduced greenhouse gas [GHG] emissions, reduced number of process steps) of thermal processing systems in the industrial sector. The US industrial sector accounts for 32% of the nation’s primary energy use (including feedstocks), and refining, chemicals, pulp and paper, iron and steel, and food products represent the top energy-consuming sectors. Thermal processing or process heating represents the largest energy use category; it accounts for 63% of all energy use in manufacturing. Additionally, thermal processing is the largest contributor of carbon dioxide (CO2) generation, resulting from combustion of fuels and process related chemical reactions, such as in the case of cement and lime production. The challenge of achieving net-zero industrial GHG emissions is colossal considering the established industrial base that depends mainly on carbon-based processes and energy sources; the time frame and cost to replace carbon-based energy sources and feedstocks; and the long-term outlook for development with large-scale adaptation of alternative non carbon–based technologies. The goals of the DOE Advanced Manufacturing Office Thermal Process Intensification Workshop were as follows: (1) Identify R&D gaps and opportunities to facilitate transformative improvement in industrial thermal processes beyond current technologies and allow for entirely new methods for processing materials; (2) Gain insight into new and innovative approaches to thermally intensify processes, reduce heat demand, harness waste heat, and use fuels and hydrocarbon feedstocks more efficiently; (3) Identify the R&D pathways to thermal process intensification (TPI) with the highest potential for impact and adoption by the industrial sector; (4) Define areas of research, development, and demonstration (RD&D) activities to accelerate development and application of emerging and transformative technologies to intensify thermal processes in industry. The scope and focus of the workshop were defined to meet these goals. Based on the available data for energy use and GHG emissions, the industries that collectively use more than 80% of the total process heating energy consumption were selected as primary focus areas. The chosen industries were combined into the following four groups based on similarities in their thermal processes: high-temperature metal processing (iron and steel industry, alumina-aluminum industry); high-temperature nonmetal and mineral processing (cement and glass industry); medium- to low-temperature thermal processing (food processing and pulp and paper industry as part of forest products sector); and hydrocarbon processing (petroleum refining and chemical industry). Furthermore, all potential TPI technologies associated with the processes defined were considered as part of the workshop. Different types of TPI technologies possible in industrial in the document.

42 ENGINEERING↗

High Energy Physics Network Requirements Review: Final Report, July 2024–December 2024

The world-class research infrastructure at the US Department of Energy (DOE) Office of Science (SC) provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance the core DOE mission in science and technology for its SC program to stimulate rich scientific discoveries and enhance its innovation ecosystem. Research communities gather and flourish around each user facility, bringing together new and enhanced perspectives. The continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by the SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high-performance data, networking, and computing solutions. The ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements review methodology. Between July and December 2024, the Energy Sciences Network (ESnet) and the Office of High Energy Physics (HEP) of the DOE-SC organized an ESnet requirements review of HEP-supported program activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

McGrath, Alaska Community Energy Plan [Slides]

The US Department of Energy's Energy Transitions Initiative Partnership Project (ETIPP) works alongside remote and island communities seeking to transform their energy systems and increase energy resilience. The City of McGrath took part in the ETIPP program in 2023-2024. As part of the project, community members formed the McGrath Energy Committee, made up of residents and local stakeholder organizations. The McGrath Energy Committee then worked with technical advisors from regional associations, university programs, and national labs to conduct a baseline energy assessment of the community, organize a community energy education series, identify key focus areas relevant to McGrath, explore funding opportunities, and create the McGrath Community Energy Plan. This plan serves as a foundational guide for future energy projects in the community, aligned with McGrath's long-term energy goal: "to be a catalyst to encourage energy resiliency in our community and the Upper Kuskokwim Region." - November 2024.

14 SOLAR ENERGY↗

Preparing an Incompressible-Flow Fluid Dynamics Code for Exascale-Class Wind Energy Simulations: Preprint

The US Department of Energy has identified Exascale-Class wind farm simulation tools as critical to wind energy scientific discovery. A primary objective of the Exawind project is to build high-performance, predictive Computational Fluid Dynamics tools that satisfy these modeling needs. GPU accelerators will serve as the computational thoroughbreds of next generation, Exascale-Class, platforms. Here, we report on our efforts for preparing the Exawind unstructured mesh solver, Nalu-Wind, for Exascale-Class machines. For computing at this scale, a simple port of the incompressible-flow algorithms to GPUs is not sufficient. One needs novel algorithms that are application aware, memory efficient, and optimized for latest generation GPU devices to get high-performance. The result of our efforts are unstructured mesh simulations of wind turbines that use 1/6 the compute resources of Summit supercomputer at Oak Ridge National Lab. In particular, we demonstrate a first-of-its-kind, simulation using Algebraic Multigrid solvers on over 4000 GPUs.

algebraic multigrid↗

Summary Report for the Virtual Summit on Decarbonizing the Agriculture Sector

A virtual summit on decarbonizing the agriculture sector was organized on September 21-22, 2021, by Oak Ridge National Laboratory (ORNL) in anticipation of federal activities surrounding a greater role for the US Department of Energy (DOE) in support of the US Department of Agriculture (USDA) in areas related to climate and carbon impacts on the US agriculture sector. A series of thought-provoking talks were presented by leaders from industry, academia, and DOE (see attachment—final agenda, Appendix A). About 50 to 70 scientists and engineers actively participated at any one time during the summit in the talks and in the topical breakouts (Appendix B).

54 ENVIRONMENTAL SCIENCES↗

Performance Test Code for Determining and Reporting Annual Heat Rate and CO2 for Coal Fueled EGUs

This material is based upon work supported by the Department of Energy under Award Number DEFE0031933. The US Department of Energy (DOE) has retained the services of ASME Standards Technology LLC (ASME ST-LLC) to develop a standardized test method and calculation protocol for determining and reporting annual/long-term heat rate for coal-fueled plants electricity generating units. ASME ST-LLC has retained the services of McHale & Associates, Inc. and Licata Energy & Environmental Consultants, Inc. to provide the technical input to this study. This code applies to hydrocarbon fueled Rankine cycle power generating facilities of any size. It is intended to be used for the determination of continuous power output and heat rate of a generating facility in its operating load cycle and in its operational lineup during the reporting period.

01 COAL, LIGNITE, AND PEAT↗

Methods to Account for CAP-88 PC-Omitted Nuclides in Radioactive Air Emissions From DOE Facilities

Routine research and development activities at US Department of Energy facilities can result in the release of radioactive emissions, potentially exposing the public and the environment. Such emissions are subject to certain Clean Air Act regulations, specifically those outlined in 40 CFR Part 61, Subpart H, which are enforced by the US Environmental Protection Agency. Compliance is determined in part with a dose standard. Doses to members of the public from most US Department of Energy facility airborne emissions are modeled using CAP-88 PC software, the latest version of which contains more than 1,200 radionuclides. Radioactive effluents from US Department of Energy facilities may contain radioisotopes that are not available in CAP-88 PC, and those radioisotopes must still be evaluated to determine whether doses to members of the public are below established limits. CAP-88 PC-omitted radionuclides can be accounted for using alternate methods, including the use of surrogate radionuclides. Here, this paper elucidates the process of accounting for CAP-88 PC-omitted radionuclides by providing criteria and rationale for surrogate selection, a compilation of surrogate radionuclides used in the past by US Department of Energy facilities, a discussion of alternate methods used to account for CAP-88 PC-omitted radionuclides and a comparison of methods and impacts on receptor doses. Ultimately, this paper aims to aid in the process of surrogate selection and consequently to simplify and expedite compliance with Clean Air Act regulations.

61 RADIATION PROTECTION AND DOSIMETRY↗

Prototype Courthouse Building Energy Model: Building Characteristics and Energy Simulation Results

To coordinate commercial building energy research activities, the US Department of Energy uses a suite of commercial prototype building models, which includes 16 building types and covers 80% of US commercial floorspace. Efforts are underway to expand this suite by developing prototype models for additional building types, including a courthouse. Informed by building design guides, databases, documented projects, and personal communication with courthouse design experts, a 3-story, 4-courtroom, 69,324 ft 2 building was considered as the prototype courthouse to represent an average-sized courthouse in the United States. This report documents the building and system characteristics of the prototype courthouse model combined with climate-specific and construction vintage–specific requirements for the building envelope and systems from ASHRAE Standard 90.1. The energy simulation results are presented for 4 construction vintages (2004, 2007, 2010, and 2013) and 15 ASHRAE climate zones. To verify the energy simulation results, energy use statistics of existing courthouses from different building database are also presented. Based on the simulated energy use, the site energy use intensity of the prototype courthouse ranged from 45 to 159 kBtu/ft 2 compared with the average energy use intensity of 94.7 kBtu/ft 2 for the courthouse building type in the 2012 Commercial Building Energy Consumption Survey (CBECS) Data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Effect of Surrogate Fission Products on Thermal Conductivity and Viscosity of NaCl-UCl 3

Thermophysical properties of salt systems relevant to molten salt reactors (MSRs) are experimentally measured in support of the US Department of Energy Office of Nuclear Energy (DOE-NE) MSR campaign within the Advanced Reactor Technology (ART) Program. These property measurements also support the development of the thermophysical arm of the Molten Salt Database (MSD) within DOE-NE’s Nu clear Energy Advanced Modeling and Simulation (NEAMS) Program. Several US Department of Energy (DOE) laboratories, including Oak Ridge National Laboratory (ORNL), have been capitalizing on modern methodologies and sample characterization techniques to conduct thermophysical property measurements to support these programs and to provide MSR developers and modelers with more recent and higher-quality data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Transforming Energy Through Computational Excellence: A View From NREL

At the National Renewable Energy Laboratory (NREL)—a U.S. Department of Energy laboratory—computational science, high-performance computing, applied mathematics, advanced computer science, visualization, and data play a pivotal role in advancing energy abundance, affordability, security, and reliability. From fundamental scientifc discovery to systems engineering and analysis, NREL researchers tackle market-relevant challenges to develop solutions for an independent energy system that is reliable, resilient and secure. Collaborative partnerships with industry, government, and academia ensure that our research remains cutting edge, impactful, applicable, and aligned with real-world energy needs. This special issue of Computing in Science & Engineering highlights exemplary NREL projects where computational tools and methodologies drive discovery and accelerate innovation in scalable and integrated energy systems. The featured articles explore the role of computational modeling, high-performance computing, generative AI, and adaptive computing in advancing independent energy solutions, optimizing sustainability research, and enhancing decision-making for energy solutions using a broad mix of energy technologies. Here, these contributions demonstrate how NREL’s computational research bridges the gap between theoretical advancements and practical implementation, emphasizing interdisciplinary collaboration and a commitment to innovation, with a focus on translating computational excellence into real-world impact, thus accelerate progress toward national energy goals. By showcasing cutting-edge research at the intersection of computational science and energy systems, this issue aims to inspire and inform researchers, practitioners, and policymakers dedicated to shaping a more reliable energy future.

97 MATHEMATICS AND COMPUTING↗

Creep Behavior and Phase Equilibria in Model Precipitate Strengthened Alumina-Forming Austenitic Alloys

Abstract Creep-rupture behavior and microstructural response in alumina-forming austenitic (AFA) alloys with two different precipitation strengthening mechanisms, “Laves-phase + M 23 C 6 carbide” and “coherent L1 2 γ′-Ni 3 (Al,Ti),” were explored as “model” cases of multi-phase, multi-scale heat-resistant AFA alloys for 650–750°C use. These alloys will be used to guide and verify computational alloy design and life-prediction modeling under an on-going eXtremeMAT project through the Office of Fossil Energy and Carbon Management, US Department of Energy. Computational thermodynamics were used to design and predict the amounts of strengthening and deteriorating secondary phases at 750°C. Creep-rupture lives of the alloys tested at 750°C and 100 MPa were in a range of 4000–9000 h, and the microstructure at the gage/grip after creep-rupture testing was compared with isothermally aged alloys for 1500 h, as well as the calculated phases. Detailed microstructure characterization includes phase identification, volume fraction measurement, and compositional analysis, which were correlated with the creep-rupture properties. High-temperature oxidation resistance was also screened and compared with commercial, chromia-forming heat-resistant steels. These model alloys also provide the basis for further design and optimization of next generation AFA alloys with improved creep resistance.

36 MATERIALS SCIENCE↗

Temperature-Dependent Transport Characteristics of 2D MoS2 Channel FETs Grown Using Salt-Based Precursors

D Transition Metal Dichalcogenides (TMDs), particularly MoS2, are promising candidates for sub-10 nm Gate All Around (GAA) CMOS FETs. Salt-assisted Chemical Vapor Deposition (CVD) enable lateral MoS2 growth at atmospheric pressure and low temperatures. This work analyzes salt-based precursor-driven CVD-grown MoS2 FETs at various temperatures. MoS2 was grown using Ammonium Molybdate salt, sulfurized at 750∘C, and transferred onto p−Si3/SiO2 substrates. At room temperature, threshold voltage (VT) ranged from -35 V to -25 V, with a peak drain current of 1.2μA/μm. As temperature increased above 325K, VT shifted exponentially, and carrier mobility dropped significantly. At 400 K, the gate lost channel control, though gate leakage current remained low. These results are compared with non-salt-based MoS2 growth to assess salt precursor effects.Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (https://www.energy.gov/doe-public-access-plan).

Jones, Andrew [ORNL] (ORCID:0009000233849687)↗

Assessing VQLS for Fluid Dynamics on a Hybrid Quantum-HPC Stack

Recent advances in quantum linear solvers offer a promising direction for accelerating extreme scientific computations such as fluid dynamics. However, the deep and complex circuits required by many quantum algorithms limit their practical use on current quantum hardware. The Variational Quantum Linear Solver (VQLS) presents a viable alternative for near-term quantum devices (NISQ), and initial efforts have explored its application to select fluid dynamics problems. In this work, we evaluate the use of VQLS for canonical fluid dynamics problems, aiming to identify pathways for generalizing its implementation across a broader class of systems. We analyze the impact of various circuit ansatz and classical optimizers on solution quality and convergence behavior. Furthermore, we assess the algorithm's feasibility within a hybrid quantum–high-performance computing (HPC) framework by porting it to QFw, a state-of-the-art quantum-HPC software stack. 11This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the US DOE under Contract No. DE-AC05-00OR22725.

Gopalakrishnan Meena, Murali [ORNL] (ORCID:0000000↗

Overview of research completed with funding from the SciDAC CSPM project (Final Technical Report)

The Center for the Study of Plasma Microturbulence was a SciDAC project managed by the Office of Fusion Energy Sciences in the US Department of Energy. Funding for the University of Maryland was initially modest (40k/year) for the first two years. The remaining four years were funded at 201k/year, with a single $50k supplemental in 2015, and a no-cost extension that ran through March, 2018. The CSPM involved several institutions whose efforts are documented separately. At UMD, the CSPM supported two graduate students (Kanekar and Wilkie), two post-doctoral fellows (Landreman and TenBarge), and summer salary for the UMD PI (Dorland). The supplemental in 2015 provided additional salary for a sabbatical by Dorland in 2015/16. Landreman and TenBarge both transitioned to separately funded research staff positions at Maryland at the ends of their post-doctoral, CSPM-supported, positions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ODU Optimization of Nb3Sn supttering on SRF structures

High efficiency Superconducting radio-frequency (SRF) cavities are the key technology to cost-effective Continuous Wave (CW) SRF accelerators. Recent advances in Nb3Sn coatings on the inner surface of SRF cavities showed the potential for this material to significantly cut the capital and operating cost of SRF accelerators. The best results are presently achieved with Nb3Sn films coated by using the so-called vapor diffusion technique. Several alternative approaches have been and are being investigated such as electrochemical deposition, bronze routes, and sputtering. Among these techniques, magnetron sputtering is a versatile technique, which has been demonstrated to deposit Nb3Sn films on SRF cavities. The technique requires further development to compete with the results demonstrated on the cavities coated with the vapor diffusion techniques. The team to develop the novel technique includes a graduate student from Old Dominion University (ODU) and other experts. ODU Prof. Elsayed-Ali directs the graduate student to coat samples and cavities in the new coating system and analyze samples with different surface science techniques. Dr. Grigory Eremeev from Fermilab assists with 2.6 GHz cavities for coating, cavity characterization at cryogenic temperature, and result analysis. The research is funded by the Office of High Energy Physics at the US Department of Energy at both Fermilab and ODU

43 PARTICLE ACCELERATORS↗

A Machine Learning-Assisted Framework to Control Thermally Anisotropic Building Envelopes in Residential Buildings

To curb the energy consumption of buildings and their related CO2 emissions, Oak Ridge National Laboratory (ORNL) has developed the thermally anisotropic building envelope (TABE) —a multi-layer design comprising insulation materials and metal foils connected to thermal loops. In this study, a machine learning-assisted framework was developed to control the TABE in residential buildings to reduce the computation load for future optimal rule-based control and application. First, a 2D finite element model was established in COMSOL to calculate the hourly heat flux through exterior walls installed with the TABE. Then, TABE wall heat fluxes were simulated for various given indoor and outdoor boundary conditions, as well as thermal loops fluid temperatures and flow rates. Since the finite element simulations are computationally expensive, an artificial neural network (ANN) was then trained to use as a proxy of the finite element (COMSOL) modeling. Finally, the trained ANN model was coupled with the EnergyPlus model to predict the energy consumption of a US Department of Energy prototype single-family house installed with the TABE. An optimal simple rule-based control was determined from predefined rules for a case study. The results demonstrate that the developed machine learning–assisted framework can reduce 99.9% of the computation time while efficiently managing residential building energy for installed TABE walls.

Shen, Zhenglai↗

Enabling modern data discovery for atmospheric measurements

The Atmospheric Radiation Measurement (ARM) user facility is a US Department of Energy Office of Science user facility that is managed and operated through a collaborative effort led by nine US Department of Energy national laboratories. The ARM Data Center, located at Oak Ridge National Laboratory, is responsible for the timely collection, processing, and delivery of data products to the scientific community. The ARM Data Center holds more than 11,000 data products, including metadata collected from field campaigns, instruments, value-added products, and principal investigator–contributed data. These data sets are checked for successful transfer (for most data, this transfer is carried out automatically via the network; however, some of the largest data sets and some of the most remote sites require manual shipping of hard disks) and both the data and metadata are processed to a standard format, which is an ARM-standardized structure, via the Network Common Data Form. The Network Common Data Form is a self-describing binary format with many compatible software tools. Once processed, the data are cataloged, stored in the ARM Data Archive, and made discoverable through association with an array of metadata-characterizing information, such as location and measurement classification. These metadata enable powerful search capabilities through the ARM Data Center Data Discovery interface. This paper discusses the workflow of how the new discovery system has been redesigned from user requirements and how the data are distributed to the scientific community.

54 ENVIRONMENTAL SCIENCES↗

Findings from the NETL Well Integrity Workshop: Insights for multiple subsurface energy operations

Wells are a core aspect of subsurface energy infrastructure. Ensuring the resilience of that infrastructure relies on the integrity of wells as engineered pathways that safely extract, inject, and store fluids in the subsurface. To identify areas where focused research can yield new insights to improve integrity and extend the operational life of wells, the United States (US) Department of Energys (DOE) National Energy Technology Laboratory (NETL) organized and hosted a workshop on well integrity research needs in May and June of 2021. The three-day workshop consisted of six technical sessions and 18 presentations from international well integrity experts on topics of geologic storage of carbon dioxide, natural gas, and hydrogen, as well as hydrocarbon and geothermal energy production. There were over 350 registrants from more than 10 countries, 4 major oil & gas companies, 14 US states, 8 US DOE National Laboratories, US Departments of Interior, Transportation, and Energy, and regulators from eight of ten US Environmental Protection Agency (EPA) regions and US EPA headquarters. Through presentations, moderated discussions, and an attendee survey several important areas for future research were identified. In this presentation, we highlight the findings of the NETL well integrity workshop and discuss future well integrity research needs.

carbon capture utilization and storage (CCUS)↗