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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments [Slides]

The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. The ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.

14 SOLAR ENERGY↗
NASA NTRS2002

Development of a Prototype Low-Voltage Electron Beam Freeform Fabrication System

NASA's Langley Research Center and Johnson Space Center are developing a solid freeform fabrication system utilizing an electron beam energy source and wire feedstock. This system will serve as a testbed for exploring the influence of gravitational acceleration on the deposition process and will be a simplified prototype for future systems that may be deployed during long-duration space missions for assembly, fabrication, and production of structural and mechanical replacement components. Critical attributes for this system are compactness, minimal mass, efficiency in use of feedstock material, energy use efficiency, and safety. The use of a low-voltage (less than 15kV) electron beam energy source will reduce radiation so that massive shielding is not required to protect adjacent personnel. Feedstock efficiency will be optimized by use of wire, and energy use efficiency will be achieved by use of the electron beam energy source. This system will be evaluated in a microgravity environment using the NASA KC-135A aircraft.

Watson, J. K.↗
DOE OSTI2024

From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments

The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. Our ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.

artificial intelligence↗
DOE OSTI2025

Electronic Structure and Safety Insights into Prussian Blue Analog Cathode Behavior at Elevated Temperatures in Sodium-Ion Batteries

Prussian blue analogs (PBAs) represent promising cathode materials for sodium-ion batteries (SIBs) due to their high theoretical capacity, open framework structure, and use of earth-abundant elements. However, the high-temperature structural evolution, water content effects, and thermal safety of PBAs, particularly in charged states, remain poorly understood, hindering their practical deployment. Here, we investigate Na 2 Fe[Fe(CN) 6 ]·2H 2 O using thermogravimetric analysis (TGA), ex situ and in situ temperature-dependent X-ray absorption spectroscopy (XAS), and accelerated rate calorimetry (ARC). TGA and ex situ XAS confirm water loss between 150 and 200 °C, resulting in Fe 2+ oxidation, enhanced local symmetry, and uniform redox behavior that improves electrochemical performance. In situ XAS reveals irreversible structural changes above 240 °C, including ligand loss, Fe site distortion, and increased disorder, while ARC on charged electrodes shows minimal self-heating rates (<0.1 °C/min) up to 300 °C, indicating exceptional thermal stability without lattice oxygen release. These insights elucidate PBA thermal dynamics, demonstrating improved electrochemical performance of water-deficient PBAs and informing future material design and safety assessment for SIB applications.

batteries↗
NASA NTRS2007

Deployable Landing Leg Concept for Crew Exploration Vehicle

The NASA Exploration program is investigating the merits of land landing concepts for the Crew Exploration Vehicle (CEV). Four options are under investigation: retro-rockets which fire and slow the vehicle before contact with the landing surface, deployable crushable material which deploys just before landing and crushes during land contact, airbags which deploy just before landing and deflate during land contact, and deployable legs which deploy before landing and contain material that absorbs energy during land contact. The purpose of the present work is to determine the effectiveness of the deployable leg concept. To accomplish this goal, structural models of the deployable leg concept are integrated with the Crew Model (CM) and computational simulations are performed to determine vehicle and component loadings and acceleration levels. Details of the modeling approach, deployable leg design, and resulting accelerations are provided.

Lawrence, Charles↗
DOE OSTI2019

Shielding a monoenergetic photon source for nonproliferation applications analysis

Near-monoenergetic photon sources offer appealing improvements over broad-band bremsstrahlung sources when applied to challenges in nonproliferation efforts. The use of a laser-plasma accelerator offers electrons at the energies needed for multi-MeV Thomson sources in a compact form factor. Because these electrons have energy up to approximately 0.5 GeV, many energetic photons and neutrons are created as they are dumped out of the beam line. This fact creates challenges for performing experiments to demonstrate the advantages of such a photon source for nonproliferation applications in the short term, until effective methods for decelerating the electrons are developed. To mitigate these background particles for laboratory measurements, a system of beam dumps and secondary collimators has been designed. Once background flux is reduced to the lowest practical level, it is compared to the expected flux created by the source photon beam on a lead target. This simulation mimics a nonproliferation application by predicting measured flux off-axis from an interrogated high-Z object as a surrogate for special nuclear material. Background mitigation techniques are also expanded to a mobile interrogation case. Furthermore, these methods allow for demonstration of nonproliferation applications of near-monoenergetic photon sources and future deployment in the field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

ICME Guided Development of Advanced Cast Aluminum Alloys for Automotive Engine Applications (ADAPA)

Project Objectives: To develop a new class of advanced, cost competitive aluminum casting alloys providing a 25% improvement in component strength relative to components made with A319 or A356 alloys using sand and semi-permanent casting processes for high-performance engine applications. To demonstrate the power of Integrated Computational Materials Engineering (ICME) tools for accelerating the development of new materials and processing techniques, as well as to identify the gaps in ICME capabilities. To develop comprehensive cost models to ensure that components manufactured with these new alloys do not exceed 110% of the cost using incumbents alloys A319 or A356. To develop a technology transfer and commercialization plan for deployment of these new alloys in automotive engine applications. The key targets and baseline are shown in the table below.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Radiation-Induced Fate of Fission Product Iodine in Molten Salts

Understand and Predict Radiation-Induced Iodine Speciation, Chemistry, and Transport in High-Temperature Molten Salts Award Number: DE-AC07-05ID1451 Gregory P. Holmbeck (Gregory.Holmbeck@inl.gov), Center for Radiation Chemistry Research, Idaho National Laboratory, 1955 N. Fremont Avenue Idaho Falls, ID, 83415, USA. Project Scope The goal of this Chemical and Materials Sciences to Advance Clean Energy Technologies and Low-Carbon Manufacturing project is to understand and predict the radiation-induced speciation, chemistry, and transport of fission product iodine in the triumvirate extremes of high-temperature, ionizing radiation, and corrosive molten salts. This missing fundamental information is critical for the accelerated development and deployment of safe, clean nuclear energy based on molten salt reactor (MSR) and pyrochemical reprocessing technologies. The central hypothesis driving this research is, the radiation-induced conversion of iodide will yield an extensive suite of transient and steady-state iodine radiolysis products that will alter the bulk chemical and physical properties of the irradiated molten salt system—the speciation, distribution, and chemical transport of which will be dictated by the composition and the availability of multivalent metal cations and metal alloy interfaces. To test this hypothesis, this project initiated three synergistic Research Objectives: (1) determine how the inclusion of iodine/iodide influences the chemical and physical properties of complex molten salt mixtures; (2) elucidate the speciation and fundamental chemical behavior of transient and steady-state iodine/iodide species formed by the irradiation of molten and solid salt mixtures; and (3) understand the influence of interfacial processes on determining the final disposition of iodine in high temperature molten salts, notably the structure and chemical speciation of iodine at metal-salt interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Glass/glass photovoltaic module reliability and degradation: a review

Glass/glass (G/G) photovoltaic (PV) module construction is quickly rising in popularity due to increased demand for bifacial PV modules, with additional applications for thin-film and building-integrated PV technologies. G/G modules are expected to withstand harsh environmental conditions and extend the installed module lifespan to greater than 30 years compared to conventional glass/backsheet (G/B) modules. With the rapid growth of G/G deployment, understanding the outdoor performance, degradation, and reliability of this PV module construction becomes highly valuable. In this review, we present the history of G/G modules that have existed in the field for the past 20 years, their subsequent reliability issues under different climates, and methods for accelerated testing and characterization of both cells and packaging materials. We highlight some general trends of G/G modules, such as greater degradation when using poly(ethylene-co-vinyl acetate) (EVA) encapsulants, causing the industry to move toward polyolefin-based encapsulants. Transparent backsheets have also been introduced as an alternative to the rear glass for decreasing the module weight and aiding the effusion of trapped gaseous degradation products in the laminate. New amendments to IEC 61215 standard protocols for G/G bifacial modules have also been proposed so that the rear side power generation and UV exposure will be standardized. We further summarize a suite of destructive and non-destructive characterization techniques, such as current-voltage scans, module electro-optical imaging, adhesion tests, nanoscale structural/chemical investigation, and forensic analysis, to provide deeper insights into the fundamental properties of the module materials degradation and how it can be monitored in the G/G construction. This will set the groundwork for future research and product development.

14 SOLAR ENERGY↗
DOE OSTI2021

Glass/Glass Photovoltaic Module Reliability and Degradation: A Review - Figures

Glass/glass (G/G) photovoltaic (PV) module construction is quickly rising in popularity due to increased demand for bifacial PV modules, with additional applications for thin-film and building-integrated PV technologies. G/G modules are expected to withstand harsh environmental conditions and extend the installed module lifespan to greater than 30 years compared to conventional glass/backsheet (G/B) modules. With the rapid growth of G/G deployment, understanding the outdoor performance, degradation, and reliability of this PV module construction becomes highly valuable. In this review, we present the history of G/G modules that have existed in the field for the past 20 years, their subsequent reliability issues under different climates, and methods for accelerated testing and characterization of both cells and packaging materials. We highlight some general trends of G/G modules, such as greater degradation when using poly(ethylene-co-vinyl acetate) (EVA) encapsulants, causing the industry to move toward polyolefin-based encapsulants. Transparent backsheets have also been introduced as an alternative to the rear glass for decreasing the module weight and aiding the effusion of trapped gaseous degradation products in the laminate. New amendments to IEC 61215 standard protocols for G/G bifacial modules have also been proposed so that the rear side power generation and UV exposure will be standardized. We further summarize a suite of destructive and non-destructive characterization techniques, such as current-voltage scans, module electro-optical imaging, adhesion tests, nanoscale structural/chemical investigation, and forensic analysis, to provide deeper insights into the fundamental properties of the module materials degradation and how it can be monitored in the G/G construction. This will set the groundwork for future research and product development.

transparent backsheet↗
DOE OSTI2018

ICME Guided Development of Advanced Cast Aluminum Alloys for Automotive Engine Applications (ADAPA) (Final Report)

Project Objectives include the following: 1) To develop a new class of advanced, cost competitive aluminum casting alloys providing a 25% improvement in component strength relative to components made with A319 or A356 alloys using sand and semi-permanent casting processes for highperformance engine applications; 2) To demonstrate the power of Integrated Computational Materials Engineering (ICME) tools for accelerating the development of new materials and processing techniques, as well as to identify the gaps in ICME capabilities; 3) To develop comprehensive cost models to ensure that components manufactured with these new alloys do not exceed 110% of the cost using incumbent alloys A319 or A356; 4) To develop a technology transfer and commercialization plan for deployment of these new alloys in automotive engine applications; 5) The key targets and baseline are shown in the table below.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Irradiation Effects on Stability of δ-UZr2 phase in U-50 wt% Zr Alloy

U-50wt%Zr is a candidate metallic nuclear fuel with potential application in light water reactors due to its excellent thermal properties and high radiation tolerance. The Zr-rich UZr fuels possess greater swelling resistance and fission gas release characteristics compared with U-rich UZr fuels. In this current study, the δ-phase U-50wt%Zr is proton irradiated at room temperature to 1 displacement per atom (dpa) to provide insights on phase stability under irradiation conditions. High resolution characterization of Transmission Electron Microscopy (TEM) and Atom Probe Tomography (APT) characterization techniques are used to elucidate microstructural changes due to irradiation. TEM and APT results show highly oriented bcc β-Zr-rich platelet precipitates nucleating adjacent to α-U phases inside the UZr 2 matrix. Formation of this platelet morphology is characteristic of Widmänstatten structure which can be attributed to a variety of factors such as differences in thermal expansion coefficient between the phases, grain size, alloy composition, and cooling rate. The phases present are distinctly different than those observed through in situ annealing, but irradiation accelerates diffusion and phase separation kinetics. These microstructural changes in U-50wt%Zr are different from those achieved by pure thermodynamic or high temperature heavy ion irradiation experiments. Finally, our work, together with previous ones, highlight the necessity to study the U-Zr phase diagram under non-equilibrium thermodynamics conditions to support this material's deployment as a viable nuclear fuel form.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of an Extremely Durable Concrete (EDC) - A Novel approach coupling Chemistry and Autogenous Crack Width Control (Final Report)

Concrete cracking is a challenging issue and a constant threat to the durability of modern physical infrastructure. It is most commonly produced by mechanical loading and environmental deformations endured under field conditions, and structural deterioration accelerates at large crack widths. There is an urgent need for dramatic reductions in O&M cost, energy use, and emissions for infrastructure. The goal of this project is to fundamentally design an Extremely Durable Concrete (EDC) with a life expectancy at least five times that of current concrete by deploying a coupled micromechanical and chemical approach in material design. EDC is expected to embody an autogenously tight crack width (<50μm), high ductility (>3%), and stable chemistry using a green binder based on Limestone Calcined Clay Cement (LC3), which together will produce a resilient formulation with self-healing capability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

State of the art in low-temperature and high-temperature electrolysis

Water electrolysis is gaining traction in large-scale applications, with production of multiple technologies scaling to hundreds and thousands of megawatts of new electrolyzer capacity annually. Low-temperature electrolysis has dominated the electrolyzer market for decades, but still only represents a small amount of the overall hydrogen market, due to the higher production costs versus hydrogen derived from fossil fuels. Advances are needed in capital cost and efficiency to close the cost gap, especially for energy applications. Similarly, while high-temperature electrolyzers can operate more efficiently, reducing the operating cost, they still need further scale-up and cost reduction to compete in these markets. Understanding the recent advances in each and the priority research directions is important to focus and accelerate innovation, and will be discussed in this article. The different advantages and disadvantages of each of these technologies will also be reviewed; there will likely be applications for each in the overall deployment of renewable hydrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2026

LDRD FY25 Program Overview

As Lawrence Livermore National Laboratory’s (LLNL’s) Laboratory Directed Research and Development (LDRD) program enters its fifth decade of leading-edge research and development, its impact and importance have never been stronger. The program continues to advance strategic investments in pioneering science, technology, and engineering, ensuring LLNL will be ready to deliver on our mission as it evolves over the coming decades. Investing in LDRD research, and the people who perform this critical work, gives LLNL the ability to sustain our role as a leader in the Department of Energy and National Nuclear Security Administration enterprise. The LDRD program enables high-risk, high-payoff research that anticipates emerging threats and future mission needs. By nurturing the ingenuity of the Lab’s greatest asset, its people, LDRD funding advances not only our research but also grows and nurtures our workforce: engaging future innovators with student mentoring, challenging postdoctoral researchers to apply their skills to support national security, and strengthening the leadership skills of early career staff. This annual report documents how LDRD investments advance LLNL’s science, technology, and engineering across our mission space. To assess LDRD’s impact we track both short and long-term metrics such as peer-reviewed publications, number of students, or professional fellows. In addition to reviewing these metrics, I encourage you to delve deeper into the breadth of science and technology that illustrate the strategic value of this research portfolio. For instance, a recent exploratory research project used advanced manufacturing to construct miniaturized three-dimensional ion traps for a quantum computer with reduced quantum error rates to enable applications that address national security missions and support basic science. Another project has delved into studying detonation by examining deflagration to enhance the safety and security of the nuclear weapons stockpile. LDRD researchers are also deploying AI agents on two of the world’s most powerful supercomputers to automate and accelerate inertial confinement fusion experiments. Other teams are delivering more accurate optical constants to enable improved validation for aluminum to advance atomic and molecular physics models. LDRD-driven discoveries of how metals deform under extreme conditions strengthen our ability to model and design materials for demanding national security environments. National security challenges are increasingly complex and continuously evolving. LDRD focuses our most innovative science and technology on these challenges, ensuring the Laboratory is developing creative, forward-leaning solutions for our nation and the world. The following pages feature highlights of published scientific advances, patents, and honors that stem from LDRD investments. As you read this report, I hope you will understand how these investments position the Laboratory, and our partners, to meet the demands of the decades ahead.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Monolithic ATF MiniFuel Sample Capsules Ready for HFIR Insertion

Several advanced nuclear fuel concepts are being considered throughout the nuclear industry. Implementation of these concepts could increase accident tolerance or enhance performance beyond the capabilities of the UO₂-based nuclear fuel currently in use. Qualification and deployment of any new fuel requires rigorous irradiation testing to demonstrate performance under representative normal and off-normal operating conditions. The traditional approach for qualifying new fuels requires exhaustive execution of many integral fuel tests. However, due to the long timeframe for executing these integral tests and the limited number of available materials test reactors, this approach is becoming impractical. To accelerate fuel qualification, Oak Ridge National Laboratory developed the MiniFuel irradiation vehicle for use in conducting accelerated separate effects irradiation testing of a wide range of nuclear fuel materials in the High Flux Isotope Reactor (HFIR). The first MiniFuel irradiations performed in the facility tested sol gel–derived uranium nitride kernels and tristructural isotropic (TRISO)-coated particle fuels. This report describes the preparation and assembly of the first set of monolithic MiniFuel irradiations conducted to support accident-tolerant fuel (ATF) development and accelerated fuel qualification. Two irradiation targets containing a variety of UO₂ and U₃Si₂ disk fuel specimens were fabricated and assembled for irradiation to burnups of 8-10 and 28-40 MWd/kg U. The target irradiation temperature is 450-550°C. Irradiation of U₃Si₂ will provide new data regarding the irradiation performance of a candidate ATF to complement current ATF-1 integral experiments being performed in the Advanced Test Reactor. UO₂ samples were included as a reference so that the results from the MiniFuel experiments can be compared with the extensive UO₂ fuel performance database. The monolithic MiniFuel capsules were successfully assembled, welded, and tested per HFIR requirements and are ready for insertion into the reactor. Pictures of the assembly process are included in this report. The experiment is planned for insertion into the HFIR during cycle 487 in April 2020.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1978

Performance degradation mechanisms and modes in terrestrial photovoltaic arrays and technology for their diagnosis

Accelerated life-prediction test methodologies have been developed for the validation of a 20-year service life for low-cost photovoltaic arrays. Array failure modes, relevant materials property changes, and primary degradation mechanisms are discussed as a prerequisite to identifying suitable measurement techniques and instruments. Measurements must provide sufficient confidence to permit selection among alternative designs and materials and to stimulate widespread deployment of such arrays. Furthermore, the diversity of candidate materials and designs, and the variety of potential environmental stress combinations, degradation mechanisms and failure modes require that combinations of measurement techniques be identified which are suitable for the characterization of various encapsulation system-cell structure-environment combinations.

Noel, G. T.↗
DOE OSTI2017

On-the-fly data assessment for high-throughput x-ray diffraction measurements

Investment in brighter sources and larger and faster detectors has accelerated the speed of data acquisition at national user facilities. The accelerated data acquisition offers many opportunities for the discovery of new materials, but it also presents a daunting challenge. The rate of data acquisition far exceeds the current speed of data quality assessment, resulting in less than optimal data and data coverage, which in extreme cases forces recollection of data. Herein, we show how this challenge can be addressed through the development of an approach that makes routine data assessment automatic and instantaneous. By extracting and visualizing customized attributes in real time, data quality and coverage, as well as other scientifically relevant information contained in large data sets, is highlighted. Deployment of such an approach not only improves the quality of data but also helps optimize the usage of expensive characterization resources by prioritizing measurements of the highest scientific impact. We anticipate our approach will become a starting point for a sophisticated decision-tree that optimizes data quality and maximizes scientific content in real time through automation. Finally, with these efforts to integrate more automation in data collection and analysis, we can truly take advantage of the accelerating speed of data acquisition.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗