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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 91 records · Page 5

2020 LANL Contributions to the BATS Test in WIPP

The DOE Office of Nuclear Energy (DOE-NE) repository research and development program seeks to provide a sound technical basis for multiple viable disposal options, increase confidence in the robustness of generic disposal concepts, and develop science and engineering tools needed to support disposal concept implementation. Sandia, Los Alamos, and Lawrence Berkeley National labs are conducting research into salt, which includes the Brine Availability Test in Salt (BATS) field test at the Waste Isolation Pilot Plant (WIPP), a DOE Office of Environmental Management facility. BATS is leveraging the existing infrastructure associated with the WIPP to advance science informing generic disposal concepts. BATS is an ongoing heated borehole experiment being conducted in the WIPP underground. The goal of this experiment is to reduce the uncertainty associated with spent nuclear fuel disposition in geologic salt formations. The BATS experiments is designed to accomplish this by increasing our understanding of brine migration in salt, assessing damaged zones from mining and drilling, simulating a post-closure environment, confirming salt properties, and providing data for model validation. Phased testing for generic salt repository R&D was proposed in 2015. Subsequently, borehole thermal testing was developed as a first step in this process. This document summarizes the work conducted on the BATS experiment during fiscal year 2020 with an emphasis on the contributions by Los Alamos National Lab.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Exclusion and Verification of Remote Nuclear Reactors with a 1-kiloton Gd -Doped Water Detector

To date, antineutrino experiments built for the purpose of demonstrating a nonproliferation capability have typically employed organic scintillators situated as close to the core as possible (typically at a distance of a few meters to tens of meters) and have not exceeded a few tons in size. One problem with this approach is that proximity to the reactor core requires accommodation by the host facility. Water Cherenkov detectors located offsite, at distances of a few kilometers or greater, may facilitate nonintrusive monitoring and verification of reactor activities over a large area. As the standoff distance increases, the detector target mass must scale accordingly. This paper quantifies the degree to which a kiloton-scale gadolinium-doped water Cherenkov detector can exclude the existence of undeclared reactors within a specified distance, and remotely detect the presence of a hidden reactor in the presence of declared reactors, by verifying the operational power and standoff distance using a Feldman-Cousins-based likelihood analysis. A 1-kton scale (fiducial) water Cherenkov detector can exclude gigawatt-scale nuclear reactors up to tens of kilometers within a year. In conclusion, when attempting to identify the specific range and power of a reactor, the detector energy resolution is not sufficient to delineate between the two.

42 ENGINEERING↗

Opportunities and Challenges from Artificial Intelligence and Machine Learning for the Advancement of Science, Technology, and the Office of Science Missions

In February 2019, the President signed Executive Order 13859, Maintaining American Leadership in Artificial Intelligence. This order launched the American Artificial Intelligence Initiative, a concerted effort to promote and protect AI technology and innovation in the United States. The Initiative implements a government-wide strategy in collaboration and engagement with the private sector, academia, the public, and like-minded international partners. Among other actions, key directives in the Initiative called for Federal agencies to: Prioritize AI research and development investments, Enhance access to high-quality cyberinfrastructure and data, Ensure that the US maintains an international leadership role in the development of technical standards for AI, and Provide education and training opportunities to prepare the American workforce for the new era of AI. The mission of the Department of Energy (DOE) is to ensure America’s security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. In terms of Science and Innovation, the DOE’s mission is to maintain a vibrant US effort in science and engineering as a cornerstone of our economic prosperity with clear leadership in strategic areas. From July to October in 2019, the Argonne, Oak Ridge, and Berkeley National Laboratories hosted a series of four AI for Science Town Hall meetings in Chicago, Oak Ridge, Berkeley, and Washington DC. The four meetings were attended by over 1300 scientists from the 17 DOE Labs, 39 companies, and over 90 universities. The goal of the Town Hall series was ‘to examine scientific opportunities in the areas of artificial intelligence, Big Data, and high-performance computing (HPC) in the next decade, and to capture the big ideas, grand challenges, and next steps to realizing these.’ The discussions at the meetings were captured in the final report of the AI for Science Town Hall meetings.

42 ENGINEERING↗

Challenges and Strategies for Testing Automation Practices at Sandia National Laboratories

Sandia National Laboratories is a premier United States national security laboratory which develops science-based technologies in areas such as nuclear deterrence, energy production, and climate change. Computing plays a key role in its diverse missions, and within that environment, Research Software Engineers (RSEs) and other scientific software developers utilize testing automation to ensure quality and maintainability of their work. We conducted a Participatory Action Research study to explore the challenges and strategies for testing automation through the lens of academic literature. Through the experiences collected and comparison with open literature, we identify these challenges in testing automation and then present strategies for mitigation grounded in evidence-based practice and experience reports that other, similar institutions can assess for their automation needs.

97 MATHEMATICS AND COMPUTING↗

Multimodal Instrument Platform for High-Pressure MAS-NMR and IR Spectroscopic Interrogation

This project developed and tested a high-pressure (HP) flow-through instrument platform that combines HP- magic angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy for interrogating reactivity at interfaces between solid materials and HP fluids with HP- infrared (IR) spectroscopy for measuring fluid composition. Solid-fluid interfacial reactivity is usually dependent on concentrations of species within the fluid; thus, knowledge of the fluid composition measured by IR is critical to understanding solid-fluid interfacial reactivity probed by NMR. This new system adds to PNNL’s core capabilities in Chemical and Material Sciences to support fundamental programs in catalysis, interfacial molecular science, and geosciences, as well as in Earth and Biological Sciences to support energy production and storage, efforts to mitigate the impacts energy production systems, attenuation of contaminant plumes, and design of subsurface engineered systems for energy production and waste disposal.

36 MATERIALS SCIENCE↗

The Impulse Approximation Scattering Function and Its Use in Monte Carlo Photon Transport Simulations

The viability of using the impulse approximation scattering function in Monte Carlo photon transport simulations is explored. This scattering function can be constructed from the double differential incoherent scattering cross section developed by Ribberfors and Berggren. A commonly used method for modeling photon Doppler broadening, which is referred to as the hybrid Doppler broadening method, can also be derived from this cross section. A new photon Doppler broadening method, called the consistent Doppler broadening method, is derived and discussed. This method eliminates some of the commonly employed approximations in the hybrid Doppler broadening method, in part, by using the impulse approximation scattering function. Integrated incoherent cross sections generated using the impulse approximation scattering function and the widely used Waller-Hartree scattering function are in good agreement above 20 keV. Below 20 keV, differences as high as 70% are observed, which differs from the roughly 5% differences observed by Ribberfors for some of the materials. Integral and spectral quantities for two problems are also generated using the Monte Carlo photon transport capabilities of the Framework for REsearch in Nuclear ScIence and Engineering (FRENSIE). Due to the small, relative result differences observed when using the impulse approximation scattering function, it is considered a viable alternative to the Waller-Hartree scattering function. In addition, some small, but expected, differences in spectral fluxes at low energies can be avoided by adopting the consistent Doppler broadening method.

42 ENGINEERING↗

Integral Nuclear Data and Benchmarking Needs for Fusion Energy Systems

Fusion energy systems are currently being designed and optimized using radiation transport codes. To deal with the unique environment inside a fusion-based system, many of these designs incorporate novel materials able to withstand the high radiation fields, ensure adequate cooling and thermal protection, and produce tritium. Validation plays a vital role in building trust in the predictive power of these models and computational methods. Validation of a code consists of modeling documented real-world experiments and comparing the code-predicted response to the measured response. Adequate validation requires measured responses from real-world experiments, also known as integral data, that mimic the system being designed, including materials, impinging radiation, and temperature, among other variables. The most trusted integral data are experimental responses that have been through a rigorous benchmarking process that develops a recommended computational model and evaluates all experimental uncertainties. Finally, there are a few research groups around the world that have been producing integral data for fusion applications, but a substantial investment is needed to address the unique validation needs of the fusion community.

Fusion↗

Additive Manufacturing of Miniaturized Peak Temperature Monitors for In-Pile Applications

Passive monitoring techniques have been used for peak temperature measurements during irradiation tests by exploiting the melting point of well-characterized materials. Recent efforts to expand the capabilities of such peak temperature detection instrumentation include the development and testing of additively manufactured (AM) melt wires. In an effort to demonstrate and benchmark the performance and reliability of AM melt wires, we conducted a study to compare prototypical standard melt wires to an AM melt wire capsule, composed of printed aluminum, zinc, and tin melt wires. The lowest melting-point material used was Sn, with a melting point of approximately 230 °C, Zn melts at approximately 420 °C, and the high melting-point material was aluminum, with an approximate melting point of 660 °C. Through differential scanning calorimetry and furnace testing we show that the performance of our AM melt wire capsule was consistent with that of the standard melt-wire capsule, highlighting a path towards miniaturized peak-temperature sensors for in-pile sensor applications.

36 MATERIALS SCIENCE↗

GDOE Bearing

Explore the source record for details and available documents.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SISGR: Chemomechanics of Far-From-Equilibrium Interfaces (COFFEI)

Portable, reliable, and deployable devices for energy storage and conversion require fundamental changes in design of solid-state composites comprising ceramics and metals. These materials comprise the electrodes and electrolytes of next-generation solid-oxide fuel cells and all solid-state batteries, forming solid-state functional composites. The advent of solid-state batteries – which replace liquid electrolytes with solid electrolytes capable of lithium ion transport for reliable energy storage in portable batteries – and the increased demand space for all solid-state fuel cells capable of oxygen reduction at intermediate temperatures remain important challenges for improved material stability and decreased system cost. However, little is understood about three fundamental facets of materials that enable such solid-state energy applications. First, how do such materials deform, fracture, or delaminate under operando conditions? Second, how does such mechanical deformation limit or facilitate electronic and ionic transport within and across such material interfaces? Third, how we can predictably design interface-rich composites to engineer both structural and electrochemical stability? This COFFEI Group comprised expertise from Materials Science & Engineering and Nuclear Science & Engineering to integrate unique in situ experiments, simulations, and fabricated interfaces that address these fundamental questions in solid-state interfaces of nanoscale composites that will guide solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric materials that enable such applications. In particular, we built on COFFEI’s understanding of chemomechanical coupling among defect concentrations, ionic transport, electron transport, and stored elastic energy that is particularly acute in the far-from-equilibrium conditions typical of energy device applications. By tailoring our focus to solid-state interfaces, we addressed these important issues by (a) developing and applying advanced in situ and ex situ characterization tools to characterize model materials and interfaces synthesized with molecular-level control, under both laboratory-controlled and extreme environments representative of energy device operation; and (b) employing computational modeling and simulation frameworks to predict transport mechanisms, reactivity and stability of these model materials and interfaces under significant chemical strains typical of energy device operation. Recent progress provided insights to additional materials systems and electrochemomechanical fatigue and fracture that were not fully envisioned when the program was initiated. Specifically, in the final three years of COFFEI we pursued two integrated thrusts, with complementary focus. Thrust I focused on failure-resistant electrochemomechanical composites, while Thrust II focused on strain-modulated conductivity and reactivity across interfaces. In contrast to our initial COFFEI focus, these thrusts concentrated wholly on solid-state material interfacial interactions and included greater integration of multiscale visualization including in situ electron microscopy of strained structures/interactions and mesoscale simulations. Successful development of functionally superior and long-lived battery and fuel cell systems and stress adaptable oxides requires a deeper, fundamental understanding of the coupling among the historically important subfields of solid-state electrochemistry, transport kinetics, and mechanical deformation for nonstoichiometric metal oxide electrodes. In this program, the understanding and the application of chemomechanical coupling of defect concentrations, ionic transport, electro-catalytic activity and stored elastic energy, particularly acute in the far-from-equilibrium conditions typical of energy device applications, are being refined and implications for device operation clarified, including for miniaturized solid-state batteries and fuel cells.

36 MATERIALS SCIENCE↗

A molecular dynamics survey of grain boundary energy in uranium dioxide and cerium dioxide

Uranium dioxide (UO 2 ) is the primary fuel material that is used in current nuclear reactors. As one of the most fundamental material parameters, grain boundary (GB) energy strongly influences many fuel properties, and the influences depend on the characters and properties of individual GBs. Using molecular dynamics simulations, a high throughput survey of GB energy in UO 2 was carried out for the purpose of elucidating the roles of GB geometry such as misorientation and inclination, as well as the bonding nature of UO 2 , in affecting GB energy. GB energies in CeO 2 were calculated as well for comparison with UO2toinvestigate the generality of GB energy anisotropy in fluorite phase oxides. The results show significant GB energy anisotropy in both UO 2 and CeO 2 that is associated with the cubic symmetry of the fluorite structure. More interestingly, the GB anisotropy is found to be dependent not only on the crystal structure but also the ionic bonding. As such, the GB energy anisotropy in fluorite oxides has significant differences compared with that in fcc metals. We report that the data obtained and the increased knowledge on GB anisotropy will facilitate GB engineering for nuclear fuels with improved properties

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Materials and Fuels Complex Five-Year Mission Strategy (FY21- FY25)

The Idaho National Laboratory (INL), through its designated mission of advancing innovative nuclear energy solutions, is actively engaged in the research, development, demonstration and deployment of advanced nuclear technology, as well as in fostering private-public partnership for technology development. Key to the success of INL’s mission is the Materials and Fuels Complex (MFC), the only complex in the U.S. that hosts a world-class assemblage of facilities, capabilities and instruments for handling, testing, and characterizing radioactive materials. Driven by its mission/vision of “Engineering and Experiments that Drive the World’s Nuclear Energy Future,” MFC is at the center of INL’s – and indeed the Department of Energy’s – advanced nuclear technology development initiatives, providing essential capabilities such as engineering-scale high-assay low-enriched uranium (HALEU) fuel production, reactor demonstration facilities, post-irradiation examination, and transient irradiation testing. Furthermore, MFC provides an ideal environment for test beds that are utilized for research, development and demonstration (RD&D) activities on used fuel treatment, nuclear non-proliferation, forensics, and nuclear power sources used for space exploration missions conducted by the National Aeronautics and Space Administration (NASA).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Tunnel oxide passivating contact enabled by polysilicon on ultra-thin SiO 2 for advanced silicon radiation detectors

Conventional silicon junction detectors encounter significant carrier recombination within the heavily doped p⁺ and n⁺ layers, as well as beneath the metal contact regions, creating the so-called “dead layers”, especially on the detector side. In this study, we present the tunnel oxide passivating contact with doped polysilicon on oxide, which demonstrates exceptional surface passivation and carrier selectivity. The key innovation lies in an ultra-thin (~ 1.5 nm) interfacial oxide layer that facilitates efficient majority carrier transportation via tunneling while effectively block minority carriers. Remarkably low saturation current densities, ranging from 5 to 10 fA/cm² even with the metal contact, underscore the superiority of both n-type and p-type tunnel oxide passivating contacts. In contrast, conventional p–n junction or high-low junction exhibit saturation current densities ranging from 10 to 90 fA/cm² in the studied p⁺ and n⁺ layers with surface passivation schemes due to Auger recombination and surface recombination, and 1000–6000 fA/cm² with metal contacts due to intense metal-induced recombination at the interface. These findings indicate the potential and superiority of implementing n-type tunnel oxide passivating contact on the detector side and p-type contact on the back side for advanced silicon radiation detectors. This approach would enable thorough collection of generated charge carriers along the track of incident ionizing radiation particles, leading to improved energy resolution and reduced noise levels.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Nanoindentation’s imprint on an advanced society: Toward application conditions at the extremes

Abstract As society strives for a more sustainable future, key technologies depend on advanced materials development. Nanoindentation enables highly localized nanoscale measurement of mechanical properties, crucial for optimizing the performance of functional materials. Coupled with chemical charging, variable temperatures, or high deformation speeds, it offers insights into pressing materials science challenges necessary for sustainable energy transitions. This article explores the role of nanoindentation in advancing vital next-generation technologies. Graphical abstract

36 MATERIALS SCIENCE↗