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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

Examples of Mission-driven Data Science from Jefferson Lab and ACES

This presentation details mission-driven data science initiatives at Jefferson Lab and the Joint Institute for Advanced Computing on Environmental Studies (ACES). JLab, a U.S. Department of Energy Office of Science national laboratory, operates the Continuous Electron Beam Accelerator Facility (CEBAF), and is the lead institute for the new High Performance Data Facility (HPDF) Hub. The Joint Institute for ACES brings together interdisciplinary teams in health informatics, climate modeling, computer science, and physics to address environmental challenges, including flood modeling. The Hampton Roads region, particularly Norfolk and Virginia Beach, faces increasing flood risks, motivating the need for rapid, reliable, and risk-aware decision support. ACES’s flooding work has a focus on uncertainty quantification (UQ) and machine learning (ML) for coastal flood management. The work is motivated by the increasing vulnerability of communities such as Norfolk and Virginia Beach, Virginia, to frequent coastal flooding events, and the need for rapid, reliable decision support. The research develops computationally efficient ML surrogate models to forecast water levels and flooding risk. A central theme is the quantification and calibration of predictive uncertainty, especially for out-of-distribution (OOD) scenarios, using techniques such as Monte Carlo Dropout, Deep Ensembles, Gaussian Processes, and Deep Quantile Regression (DQR). The study demonstrates that distance-aware UQ is critical for reliable scientific AI, particularly in high-dimensional, safety-critical, and real-time applications.

McSpadden, Diana [Thomas Jefferson National Accele↗
DOE OSTI2020

Extending the Publish/Subscribe Abstraction for High-Performance I/O and Data Management at Extreme Scale

The Adaptable I/O System (ADIOS) represents the culmination of substantial investment in Scientific Data Management, and it has demonstrated success for several important extreme-scale science cases. However, looking towards the exascale and beyond, we see the development of yet more stringent data management requirements that require new abstractions. Therefore, there is an opportunity to attempt to connect the traditional realms of HPC I/O optimization with the Database / Data Management community. As such, in this paper we offer some specific examples from our ongoing work in managing data structures, services, and performance at the extreme scale for scientific computing. Using the publish/subscribe model afforded by ADIOS, we demonstrate a set of services that connect data format, metadata, queries, data reduction, and high-performance delivery. The resulting publish/subscribe framework facilitates connection to on-line workflow systems to enable the dynamic capabilities that will be required for exascale science.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2026

A Guide for Creating a Building-Level Action Plan to Manage Refrigerants in Buildings

The Guide for Creating a Building-Level Action Plan to Manage Refrigerants in Buildings has been developed in response to stakeholder feedback and interest received during the Better Buildings Managing Refrigerants Working Group. This guide includes best practices and a step-by-step guide to create a plan to manage their organization's refrigerants. Stakeholders were interested in guidance for refrigerant management to help reduce costs and protect efficiency of equipment, to mitigate risk related to increased maintenance and operational budgets, and to manage costs of using legacy refrigerants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Optimized Carbon Fiber Intermediate Development to Enable High-Volume Manufacturing of Lightweight Automotive Composites

The ongoing pursuit of improved fuel economy and reduced greenhouse gas emissions has resulted in sustained interest for lightweight materials technologies. In this context, carbon fiber composites have captured the imagination of automotive engineers due to the potential to achieve substantial mass reduction when compared to traditional steel construction. That stated, the use of carbon fiber composites in automotive has been limited for the most part to premium supercars and other derivative platforms. In these cases, manufacturing costs are less of an obstacle to implementation, and the performance benefits of carbon fiber have enabled production of structures offering more than 50% weight savings. In practice, translating these low-volume demonstrations onto high-volume vehicle platforms has remained challenging. This can be attributed to several factors, with the absence of suitable high throughput production methodologies being a key impediment. To date, structural, crash critical components have relied upon manufacturing techniques born out of the aerospace industry. This has created a disconnect between automotive production systems that are accustomed to manufacturing multiple parts per minute and the aerospace technologies that have cycle times in the order of hours. Consequently, the focus of this project is the development of manufacturing process technology for carbon fiber composites that can support a mainstream vehicle program at an assumed throughput of 100,000 vehicles per year. In practice, this translates to a part-to-part cycle time of less than 3 minutes. Project participation included contributions from a broad range of academic, industrial and national lab partners. The primary scope of work, being the development of new carbon fiber epoxy compounds that are stable at room temperature and suited to high throughput automated processing. For project management, the work streams were divided into six key areas, with the lead organization in parentheses. • Carbon fiber/epoxy materials formulation development and scale up (Dow) • Simulation of discontinuous near isotropic meso-structure intermediates (Purdue) • Simulation of mechanical performance of compression molded components (Purdue) • Meso-Scale morphological analysis and correlation with structural performance (UTK) • Paint and adhesion durability analysis (MSU) • Demonstrator part design, prototype production, and validation testing (Ford). The primary goal at the commencement of the project was development of a chopped carbon fiber sheet molding compound (SMC) that offered a three times improvement in tensile modulus over a comparable glass-based SMC. In addition to meeting mechanical performance targets, the resin kinetics were modified to achieve a processing cycle time of less than 3 minutes. Other critical-to-quality (CTQ) specifications were also stipulated to account for a broad range of materials and processing characteristics. To achieve the above, staff scientists at Dow Chemical created an extensive series of new epoxy blends for testing and validation. Throughout this development, a key challenge was attaining material performance goals without impacting processing behavior and paintability of finished components. The latter required a new internal mold release system being developed by Dow that was designed to complement the kinetics of the rapid cure epoxy. As a complement to work studies at the industrial partners, the teams from academia executed a series of analytical and experimental studies to investigate potential factors influencing CF-SMC performance. Unit cell models were developed to capture the meso-scale representations of the fiber matrix architecture. Results of this analysis and subsequent morphological investigations led to the design of a novel composite derivative comprising carbon fiber platelets embedded in an epoxy matrix; the platelet size and aspect ratio playing significant role in final composite properties. This approach was a departure from previous research in CF-SMC development whereby bulk filamentization or disassembly of the carbon fiber rovings had been considered the most effective means of achieving both fiber wet through and wet-out. As the course of the academia studies progressed, the aspect ratio of the fiber constituents was further optimized before finalizing material attributes and processing conditions. For the purposes of technology validation, the Ford team led a work stream devoted to the design, fabrication and testing of demonstration components. The carbon fiber SMC material has the potential to displace numerous stampings and castings on an automotive structure but ultimately vehicle closure applications were selected to showcase the abilities of the CF-SMC to achieve both mass reduction and business case for large complex structures. Using target properties established by the Dow staff scientists, the complete closure system for a full-size sedan decklid and a mid-size wagon liftgate were engineered. Prototypes for both applications were fabricated using production representative processing methods to allow for physical testing and performance validation of the CF-SMC structures. Following completion of a testing program that concluded with a FMVSS301 55 mph offset rear crash, the CF-SMC formulation was declared by the Ford team to have met all engineering requirements. To summarize, the joint development activities during this project led to significant technical breakthroughs and achievement of all milestones. The result was the development of a novel, tack-free carbon fiber molding compound that is suited to automated processing. This combined room temperature stability, fast cure kinetics, and internal mold release system facilitates cycle times that are conducive to high-volume production. The VORAFUSE M6400 successfully passed technology validation at Ford and is now eligible for consideration on future production commercial vehicle programs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the feasibility of using physics-informed machine learning for underground reservoir pressure management

In this work, we evaluate the feasibility of using physics-informed machine learning (PIML) for underground energy-related pressure management. To this end, we develop a PIML framework to manage underground reservoir pressures by training neural networks to determine fluid extraction rates for dedicated extraction wells during fluid injection operations given a range of reservoir conditions (e.g., transmissivity and storativity). We implement an automatically-differentiable analytical physics model of fluid flow in porous media within the PIML framework as a proxy for more complicated models. This allows us to execute a sufficient number of training scenarios to fully evaluate the feasibility of using PIML to support pressure management activities. We quantify the number of physics-model parameters required for automatic differentiation to become more efficient than finite-difference gradient calculations. We use a simple scenario with a single injector, extractor, and critical location for our feasibility analysis. We evaluate the effect of the size of the training dataset (i.e., the number of reservoir condition samples) on the accuracy and efficiency of the PIML framework. For an equivalent number of model evaluations, the larger training dataset took less time to train and produced a neural network that was able to more accurately manage reservoir pressures. We also evaluate the effect of the training dataset batch size (i.e., number of reservoir condition samples used to update the neural network coefficients during training; i.e., how the training dataset is partitioned). While training ran faster with larger batch sizes, they produced neural networks that managed pressures less accurately. We demonstrate the approach on a more complex scenario involving 10 injectors, 10 extractors, and 4 critical locations (a relatively high well density of 20 wells/km2). We provide the number of forward and adjoint model evaluations required in each case as an indication of the feasibility of using PIML for pressure management when more complicated physics models with longer execution times are used.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

ExaWorks: Workflows for Exascale

Exascale computers will offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. These software combinations and integrations, however, are difficult to achieve due to challenges of coordination and deployment of heterogeneous software components on diverse and massive platforms. We present the ExaWorks project, which can address many of these challenges: ExaWorks is leading a co-design process to create a workflow Software Development Toolkit (SDK) consisting of a wide range of workflow management tools that can be composed and interoperate through common interfaces. We describe the initial set of tools and interfaces supported by the SDK, efforts to make them easier to apply to complex science challenges, and examples of their application to exemplar cases. Furthermore, we discuss how our project is working with the workflows community, large computing facilities as well as HPC platform vendors to sustainably address the requirements of workflows at the exascale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Physics Flash Spring 2020

Published by the Physical Sciences Directorate at LANL, the Spring 2020 issue of this newsletter contains an update from the division leader, Tanja Pietraß, Physics Division news roundaup, welcome to new hires, snapshots of Physics managers' work-from-home offices, and service celebrations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Electrolyzer and Fuel Cell Recycling for a Circular Hydrogen Economy

Abstract Electrolyzers and fuel cells will be crucial for achieving global clean hydrogen and industrial decarbonization goals. However, the nascent clean hydrogen sector faces uncertainties around material supply chains and technology end‐of‐life management. This work aims to guide the transition to a circular hydrogen economy by using process modeling, techno‐economic analysis, and life cycle assessment to evaluate the material cost, energy use, greenhouse gas (GHG) emissions, toxicity, and water use of five potential recycling strategies for proton exchange membrane electrolyzers (PEMWE) and fuel cells (PEMFC). Hydrometallurgy, acid dissolution, and electrochemical dissolution are shown to offer 2–7 times improvement across all assessed metrics relative to the manufacturing of PEMWE and PEMFC from raw materials. Recycling can also lower the raw material demand, material cost, energy use, and GHG emissions associated with PEMWE and PEMFC deployment in the United States in 2050 by 23%, 19%, 21%, and 16%, respectively. This study provides key insights into the costs, benefits, and complexities of recycling strategies for PEMWE and PEMFC, aiding the development of a circular economy that is synergistic with clean hydrogen deployment.

08 HYDROGEN↗
DOE OSTI2021

NNSA-IAEC Science and Technology Working Group Area V - Waste Management and Subsurface Science, (Q1 FY2021)

The objective of Topic Area V is to evaluate the feasibility and safety of an intermediate-depth borehole for disposal of IAEC nuclear waste. The IAEC nuclear waste is currently stored in above ground and/or in near-surface facilities that provide short-term radiological worker safety but do not provide long-term, full security and safeguards protection for the nuclear material. Disposal of the IAEC nuclear waste several hundred meters below the surface in a sealed borehole would provide long-term security and safeguards due to its depth underground, as well as long-term radiological safety, due to its isolation in a stable geological formation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

MST e-News (Spring 2021)

It has been a year of managing our work and deliverables while working to mitigate for the COVID hazard. I am pleased to say that because of your hard work, we have been able to achieve many of our deliverables, while learning how to adjust our work for COVID best practices. I know it hasn’t been easy and all of us are tired, but vaccines are starting to be distributed, at an enhanced cadence both by the State and the Lab. And I think this will help as we consider our future.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Molten Salt Reactor Engineering Study for Off-Gas Management

In previous work published by the current team, the waste processing and waste form options were summarized for molten salt reactors (MSR) (Riley et al., 2018b; Riley et al., 2019). The primary types of waste from an MSR are summarized in Figure S1 and include (1) off-gas streams, (2) salt waste streams, (3) separated salt streams, (4) metal waste streams, (5) carbon waste streams, (6) decommissioning and decontaminating (D&D) waste streams, and (7) operating waste streams, or those that are generated from maintenance procedures. The primary focus of this report will be on management of the off-gas stream as it represents the pressure boundary for fuel-salt MSRs and, thus, is required for fission product confinement during reactor operation and reduction of the source term during a reactor accident.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

National Ignition Facility. Facility and Infrastructure Systems Maintenance Plan

Ensuring the reliability of the NIF, including its support systems, laser systems, target diagnostic systems, and utilities, is essential to the availability of the NIF in its support of NNSA missions. NIF is a key capability in the DOE Stockpile Stewardship Program and supports high energy physics experiments for nuclear weapons, energy, and astrophysics applications. High system reliability provides opportunities for shots and scientific discoveries with opportunities to enhance and upgrade capabilities. This Maintenance Plan (MP) identifies the policies and procedures used to perform and support asset management of the NIF Facility and Infrastructure Systems (FInS), NIF Lasers & Alignment (LASE), NIF Target Experimental Operations (TOPS), NIF Target Area Science and Engineering (TASE), and NIF&PS Control Systems (NCS). The FInS systems include the facility, HVAC, contamination control, beampath, and Line Replaceable Units (LRUs) as well as utilities which create the beampath environments, such as vacuum, argon, or clean dry air. The LASE systems are Programmatic systems which include laser diagnostics, alignment, power conditioning, pulsed power, and input laser systems. The TOPS and TASE systems are also Programmatic systems which include target and diagnostic delivery systems and positioners, many different insertable and fixed target diagnostics, and cryogenic and target gas fill systems. Finally, the NCS systems include both software and hardware for industrial and shot operation control systems. Policies governing administrative and operational practices related to maintenance of FInS, LASE, TOPS, TASE, and NCS systems are described in this plan. In addition, the plan provides processes and procedures for managing, tracking, and documenting the work. This document, the NIF Operations Management Plan, NIF-5020544 (Ref. 1), and NIF Shot Operations Plan, NIF-5018506 (Ref. 2), together satisfy the requirements of the Conduct of Operations. Duties, responsibilities, and reporting requirements of the various positions associated with FInS, LASE, and TOPS maintenance are detailed in this plan. The FInS systems include both Real Property systems with asset management requirements specified in DOE Order 430.1C (Ref. 3) and Programmatic systems. In addition, for FInS, there is a list of the System Level Maintenance Plans (SLMPs) in NIF-1007419198 (Ref. 4) which provide the system descriptions and maintenance plan and schedule. In addition, the list includes the Reliability Centered Maintenance (RCM) and Experience Centered Maintenance (ECM) evaluations that have been performed for applicable FInS systems as well as reliability criticality per Section 3.5. The -AM version of the NIF Maintenance Plan focuses on the reliability program for FInS, LASE, TOPS, TASE, and NCS within the context of the overall NIF Reliability, Availability, and Maintainability (RAM) program and incorporates changes since the -AL version from August 2011 and has been updated to be fully consistent with the updates to Ref. 1. It also includes asset management considerations, updates to the Work Order (WO) process within the NIF Computerized Maintenance Management System (CMMS) which is EAM infor® System Maintenance and Reliability Tracking (SMaRT) (Ref. 5), and updates to metrics and key performance indicators (KPIs).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Carbon Fiber Reinforced Epoxy Vitrimer: Robust Mechanical Performance and Facile Hydrothermal Decomposition in Pure Water

Conventional carbon fiber reinforced thermosetting polymers (CFRPs) are neither recyclable nor repairable due to their crosslinked network. The rapid growing CFRP market raises a serious concern of the waste management. In this work, a viable method to develop a readily recyclable CFRP based on epoxy vitrimer is introduced. First, a self-catalytic epoxy prepolymer with built-in hydroxy and tertiary amine groups is designed, which upon reaction with an anhydride formed a catalyst-free epoxy vitrimer. The epoxy prepolymer is synthesized from a diamine and an excess of bisphenol A epoxy resin. The hydroxyls and tertiary amines of the epoxy prepolymer efficiently catalyze both curing and the dynamic transesterification of the crosslinked polymer without the need of a catalyst. Then, the epoxy vitrimer is used as the matrix resin to prepare CFRP. The resulting CFRP exhibited a tensile strength as high as 356 MPa. More interestingly, the matrix of the CFRP is efficiently degraded in pure water at above 160 °C. This is because the built-in tertiary amines catalyze the hydrolysis of the ester bonds of the crosslinked network. The simple method developed in this work provides a framework for the development of recyclable CFRP.

Liu, Tuan↗
DOE OSTI2020

Smart Planning Support for Nuclear Power Plant Work Planners

Operation and Maintenance costs of a nuclear power plant account for 60% of overall plant costs due to the nuclear industry?s risk-adverse culture (World Nuclear Association, 2020). The industry relies on highly conservative estimates to avoid risk and brute force reactions to manage the unexpected and keep a plant running safely. This approach has kept plants operating safer than any other power source available over the last six decades (Ritchie, 2020). However, these conservative methods have cost the nuclear industry in market competitiveness. The solution? Transform the conservative approaches to accurate, efficient, and still safe data-driven approaches that leverage advanced technologies available in the digital age of operation. This project endeavored to identify two key aspects to successfully incorporate historical work execution data. First, where in the work management process is that information most pertinent? Next, what variables are key to informing the best strategy for organizing the upcoming work? The Smart Planner uses data collected by dynamic work instructions to provide a basis for suggesting requirements of similar, upcoming work packages. Further, it curbs inefficiencies of the work management process by analyzing the likelihood of discovery work, offering suggestions to build a contingency package. All this taking place as the work planner builds work packages that meet the predetermined scope of work to be performed.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

High-resolution national mapping of natural gas composition substantially updates methane leakage impacts

Methane is emitted from oil and gas operations alongside heavier hydrocarbons and non-hydrocarbon gases, shaping emissions management decision-making, including air quality impacts. Yet, most assessments assume fixed gas composition, overlooking significant spatial and temporal variations. Here, we generate a high-resolution, data-driven map of natural gas composition across the United States, reconstructing methane, heavier hydrocarbons, and non-hydrocarbon species using spatio-temporal interpolation and oil-and-gas production patterns. Our approach is able to reduce composition prediction errors by 39% in terms of Mean Absolute Error (MAE) compared to standard techniques and reveals that methane loss rates have been underestimated by more than 50% in some regions. Beyond methane, we uncover substantial variability in co-emitted gases, exposing blind spots in current emissions inventories and emissions management frameworks. Our work enables more accurate emissions assessments, guides targeted measurement strategies, and informs emissions management decision-making. It also provides a general framework for prediction in environmental applications that integrate sparse measurements with auxiliary variables.

03 NATURAL GAS↗
DOE OSTI2020

Panel Session 120: Roundtable: Waste Management - Energy Facilities Contractor Operating Group (EFCOG WM)

This Roundtable focused on the WM EFCOG working group as they met to discuss a variety of issues of importance to US DOE waste management operations. The purpose of the WM EFCOG is to seek out and promote the best management and operating practices, cost effective technologies and disposal options for all waste streams generated at US DOE facilities whether destined for US DOE or commercial facilities. Each site representative provided a radioactive waste management lessons learned briefing. Panelists with presentations: Savannah River Site (SRS) Solid Waste Program Update (Kerri Crawford); Idaho Clean-up Project Status (Frederick Hughes); West Valley Demonstration Project Update - EFCOG Waste Management Working Group (John Rendall); Key Project Challenges and Successes (Kalli Shupe); EFCOG WMWG Challenging Waste Subgroup Update (Tammy Monday); CH TRU Difficult Waste Stream Processing Challenges (Daniel Pancake); Argonne Building 350 Clean-up Success Using Effective Work Control (Daniel Dilday); Problematic Waste Streams on the Oak Ridge Reservation (John Wrapp)

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

Thermal Management for a Novel Non-Heavy Rare-Earth Interior Permanent Magnet Machine

The work presents a thermal management solution for a novel non-heavy rare-earth permanent magnet machine being developed at Oak Ridge National Laboratory. The motor has been designed to minimize losses while maximizing performance for a range of speeds and power ratings. The novel motor design reduces rare-earth magnet usage, thereby avoiding supply chain issues. The motor component heat losses are established for operating windows and desired performance. These heat losses, along with windage losses, are being used to develop cooling solutions for different components of this machine. A novel thermal management solution for stators and rotors has been developed, and progress is presented in this paper. The stator cooling is achieved with the help of water-ethylene glycol flowing over the finned aluminum stator jacket, and rotor cooling with automatic transmission fluid passing through novel channels designed in the rotor laminations. The attempt is to establish effective cooling of the stator winding, laminations, and rotor magnets. A 3D conjugate heat transfer model has been developed for overall thermal analysis to establish a down- selected thermal management solution for the machine. The model, in addition to estimated component heat losses, includes windage losses and its impact on rotor and stator cooling. Overall, the work presents a workable thermal solution for the interior permanent magnet machine with potential for further improvements. Future work will involve establishing end winding and refinement of other end parts of the machine with the aim of establishing a robust thermal management solution. The work will also focus on different shapes (e.g., round, non-round, presence of wedges) of rotor-stator gaps and investigate windage losses and their impact on thermal management for higher rotational speeds for the machine.

30 DIRECT ENERGY CONVERSION↗