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DOE OSTI2025

MOOSE-based Tritium Migration Analysis Program, Version 8 (TMAP8) for advanced open-source tritium transport and fuel cycle modeling

Tritium management is critical for the safety, sustainability, and economics of fusion energy systems, and advanced and reliable modeling tools help accelerate the development of tritium technologies. This paper presents the Tritium Migration Analysis Program, Version 8 (TMAP8), an open-source, MOOSE-based application developed to provide state-of-the-art tritium transport and fuel cycle modeling capabilities. TMAP8 aims to expand the capabilities of previous versions (i.e., TMAP4 and TMAP7) by leveraging modern computational techniques, ensuring high software quality assurance standards (key to building trust), and enabling multispecies, multiscale, and multiphysics simulations for integrated tritium transport modeling in complex geometries. This paper outlines TMAP8’s scope and rigorous development practices, emphasizing its transparency, accessibility, modularity, and reliability. We present the current suite of verification and validation cases based on those from TMAP4, demonstrating TMAP8’s accuracy and reliability against analytical solutions and experimental data. Additionally, the paper showcases TMAP8’s integrated fuel cycle modeling capabilities, highlighting its applicability at various scales and levels. The TMAP8 code and documentation are openly available, promoting collaborative development and widespread adoption within the fusion community. Future work will soon expand TMAP8’s verification and validation suite to include those from TMAP7 and other recent experimental studies for validation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Apparent activation energy for hydrogen permeation and its relation to the composition of homogeneous PdAu alloy thin-film membranes

PdAu alloy composite membranes are often fabricated by sequential electroless plating of Pd and Au, but this forms a layered structure that must be annealed to form a homogenous alloy. Using ex situ analysis techniques such as X-ray diffraction (XRD) or energy dispersive X-ray spectroscopy (EDS) to judge the extent of homogenization can be time-consuming as the composite membranes must be cooled to ambient temperatures prior to analysis. However, an in situ alternative is to use the apparent activation energy for H 2 permeation (E act ). Here in this work, 27 – 41 wt% Au films were fabricated to expand upon a range of 0 – 21 wt% that has been previously reported. Homogenization (confirmed by XRD and EDS) was achieved by heat treatment in 3 MPa H 2 at 550 °C for up to 120 h. The apparent E act was found to initially decrease with increasing Au composition from 12.2 kJ mol -1 (pure Pd) to 7.5 kJ mol -1 (21 wt% Au) after which it slowly increased to 9.0 kJ mol -1 (41 wt% Au). The two distinct regimes can be explained using the relation E act = ΔH H + E D , wherein E act is the sum of the partial enthalpy of solution of H into the PdAu alloy (ΔH H ) and the activation energy for diffusion of H in the alloy (E D ). Essentially, the two components of E act have opposite signs that counteract each other and cause a non-linear trend with increasing Au compositions.

42 ENGINEERING↗

DOE OSTI2023

Limits of Detection for EXAFS Characterization of Heterogeneous Single-Atom Catalysts

Single-atom catalysts (SACs), consisting of individual metal atoms dispersed on a support, attract attention due to their unique reactivity, efficient use of precious metals, and precise chemical tunability. Characterization of the metal species is crucial to substantiate structure–function relationships. Authors often use—and referees often require—X-ray absorption spectroscopy (XAS) data to prove the absence of clustered metal (or metal oxide) structures after pre-treatment and under in situ or operando conditions. However, there has been no critical assessment of the limitations of XAS in substantiating such conclusive statements, which is particularly important given the potential outsized influence of minority catalyst structures in dictating catalytic activity. Here, in this article, we quantitatively assess the detection limits of XAS to identify metal (or metal oxide) clusters in samples containing predominantly single atoms by modeling the extended X-ray absorption fine structure (EXAFS) of mixtures of structures. We identified that a significant fraction of clusters can coexist with SAC active sites (e.g., ~10% metallic Pt or ~40% oxidized Pt clusters in Pt/CeO 2 SACs), while eluding detection via EXAFS with any statistical significance. To generalize these conclusions, a descriptor-based screening of bulk metal oxides using a continuous Cauchy wavelet transform was proposed that suggests certain materials for which differentiating atomically dispersed metal species and metal oxide clusters would be infeasible by EXAFS (e.g., ReO x ). Based on this analysis, we suggest best practices for the study of SACs using EXAFS and provide recommendations to ensure that conclusions do not outpace the evidence used to support them. In this rapidly expanding research area, rigorous characterization will lead to greater understanding of the behavior of SACs and ultimately improved catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Early-time γ -ray constraints on cosmic-ray acceleration in the core-collapse SN 2023ixf with the Fermi Large Area Telescope

Context. While supernova remnants (SNRs) have been considered the most relevant Galactic cosmic ray (CR) accelerators for decades, core-collapse supernovae (CCSNe) could accelerate particles during the earliest stages of their evolution and hence contribute to the CR energy budget in the Galaxy. Some SNRs have indeed been associated with TeV γ -rays, yet proton acceleration efficiency during the early stages of an SN expansion remains mostly unconstrained. Aims. The multi-wavelength observation of SN 2023ixf, a Type II supernova (SN) in the nearby galaxy M 101 (at a distance of 6.85 Mpc), opens the possibility to constrain CR acceleration within a few days after the collapse of the red super-giant stellar progenitor. With this work, we intend to provide a phenomenological, quasi-model-independent constraint on the CR acceleration efficiency during this event at photon energies above 100 MeV. Methods. We performed a maximum-likelihood analysis of γ -ray data from the Fermi Large Area Telescope up to one month after the SN explosion. We searched for high-energy, non-thermal emission from its expanding shock, and estimated the underlying hadronic CR energy reservoir assuming a power-law proton distribution consistent with standard diffusive shock acceleration. Results. We do not find significant γ -ray emission from SN 2023ixf. Nonetheless, our non-detection provides the first limit on the energy transferred to the population of hadronic CRs during the very early expansion of a CCSN. Conclusions. Under reasonable assumptions, our limits would imply a maximum efficiency on the CR acceleration of as low as 1%, which is inconsistent with the common estimate of 10% in generic SNe. However, this result is highly dependent on the assumed geometry of the circumstellar medium, and could be relaxed back to 10% by challenging spherical symmetry. Consequently, a more sophisticated, inhomogeneous characterisation of the shock and the progenitor’s environment is required before establishing whether or not Type II SNe are indeed efficient CR accelerators at early times.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Striped Data Analysis Framework

A columnar data representation is known to be an efficient way for data storage, specifically in cases when the analysis is often done based only on a small fragment of the available data structures. A data representation like Apache Parquet is a step forward from a columnar representation, which splits data horizontally to allow for easy parallelization of data analysis. Based on the general idea of columnar data storage, working on the [LDRD Project], we have developed a striped data representation, which, we believe, is better suited to the needs of High Energy Physics data analysis. A traditional columnar approach allows for efficient data analysis of complex structures. While keeping all the benefits of columnar data representations, the striped mechanism goes further by enabling easy parallelization of computations without requiring special hardware. We will present an implementation and some performance characteristics of such a data representation mechanism using a distributed no-SQL database or a local file system, unified under the same API and data representation model. The representation is efficient and at the same time simple so that it allows for a common data model and APIs for wide range of underlying storage mechanisms such as distributed no-SQL databases and local file systems. Striped storage adopts Numpy arrays as its basic data representation format, which makes it easy and efficient to use in Python applications. The Striped Data Server is a web service, which allows to hide the server implementation details from the end user, easily exposes data to WAN users, and allows to utilize well known and developed data caching solutions to further increase data access efficiency. We are considering the Striped Data Server as the core of an enterprise scale data analysis platform for High Energy Physics and similar areas of data processing. We have been testing this architecture with a 2TB dataset from a CMS dark matter search and plan to expand it to multiple 100 TB or even PB scale. We will present the striped format, Striped Data Server architecture and performance test results.

Gutsche, Oliver↗

DOE OSTI2022

Multi-species outbreak of SARS-CoV-2 Delta variant in a zoological institution, with the detection in two new families of carnivores

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has a worldwide distribution in humans and many other mammalian species. In late September 2021, 12 animals maintained by the Chicago Zoological Society's Brookfield Zoo were observed with variable clinical signs. The Delta variant of SARS-CoV-2 was detected in faeces and nasal swabs by qRT-PCR, including the first detection in animals from the families Procyonidae and Viverridae. Test positivity rate was 12.5% for 35 animals tested. All animals had been vaccinated with at least one dose of a recombinant vaccine designed for animals and all recovered with variable supportive treatment. Sequence analysis showed that six zoo animal strains were closely correlated with 18 human SARS-CoV-2 strains, suggestive of potential human-to-animal transmission events. This report documents the expanding host range of COVID-19 during the ongoing pandemic.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Energy Storage Data Submission Guidelines

In order to consider and understand emerging energy storage technologies, data analysis can be executed to ascertain proper operation and performance. The technical benefits of rigorous testing and data analysis are important for the customer, the planner, developer, and system operator: the end-user has a safe, reliable system that performs predictably on a macro level. The test-and-analyze approach to verifying performance of energy storage devices, equipment, and systems integration into the grid improves the understanding of the value of energy storage over time from the economic vantage point. Demonstrating the lifecycle value of energy storage begins with the data the provider supplies for analysis. After review of energy storage data received from several providers, it has become clear that some ESS data is inconsistent and incomplete - thus leading to a question of the inefficacy of the data when it comes time to analyze it. This paper will review and propose general guidelines such as sampling rates and data points that providers must supply in order for robust data analysis to take place. Consistent guidelines are the basis of the proper protocol to (a) reduce time it takes data to reach those who are providing analyses; (b) allow them to better understand the energy storage installations; and (c) provide high quality analysis of the installation. This paper intends to serve as a starting point for what data points should be provided when monitoring. As battery technologies continue to advance and the industry expands, this paper will be updated to remain current.

25 ENERGY STORAGE↗

DOE OSTI2024

Advanced Algorithms for Scrutiny of Mandatory State Reports Declarations to the IAEA (Final Project Report)

In compliance with their Comprehensive Safeguards Agreements, based on INFCIRC/153 (corrected) (International Atomic Energy Agency, 1972), States Party to the Treaty on the NonProliferation of Nuclear Weapons (NPT) are obligated to declare to the International Atomic Energy Agency (IAEA) all changes in their nuclear material inventory as well as movement of the material across boundaries of IAEA recognized material balance areas (MBA), inventories and nuclear material balances. This project addresses capabilities to detect irregularities in State reports, thus ensuring their accuracy and completeness, and in the broader context, States’ compliance with safeguards obligations of the NPT. A recent study (Henzl et al., 2022) (lead by this project’s PI) demonstrated how analysis of dynamic correlations in nuclear material movement within the entire fuel cycle of a State (viewed as a single system) can reveal variances consistent with and indicative of “irregular” activities. Expanding on this concept, novel ways to analyze State declarations themselves—again, for the State as a whole entity—will help the IAEA draw accurate safeguards conclusions and trust the validity and authenticity of Stategenerated declaration reports. Introducing new declaration analyses capabilities explored in this project will help to provide credible assurance of both the non-diversion of nuclear material from declared activities and of the absence of undeclared nuclear material and activities in the State in general.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

NASA NTRS1973

Outer planet entry probe system study. Volume 4: Common Saturn/Uranus probe studies

Results are summarized of a common scientific probe study to explore the atmospheres of Saturn and Uranus. This was a three-month follow-on effort to the Outer Planet Entry Probe System study. The report presents: (1) a summary, conclusions and recommendations of this study, (2) parametric analysis conducted to support the two system definitions, (3) common Saturn/Uranus probe system definition using the Science Advisory Group's exploratory payload and, (4) common Saturn/Uranus probe system definition using an expanded science complement. Each of the probe system definitions consists of detailed discussions of the mission, science, system and subsystems including telecommunications, data handling, power, pyrotechnics, attitude control, structures, propulsion, thermal control and probe-to-spacecraft integration. References are made to the contents of the first three volumes where it is feasible to do so.

Source record↗

NASA NTRS1980

Laminates and reinforced metals

A selective review is presented of the state of the art of metallic laminates and fiber reinforced metals called metallic matrix laminates (MMLs). Design and analysis procedures that are used for, and typical structural components that have been made from MMLs are emphasized. Selected MMLs, constituent materials, typical material properties and fabrication procedures are briefly described, including hybrids and superhybrids. Advantages, disadvantages, and special considerations required during design, analysis, and fabrication of MMLs are examined. Tabular and graphical data are included to illustrate key aspects of MMLs. Appropriate references are cited to provide a selective bibliography of a rapidly expanding and very promising research and development field.

Chamis, C. C.↗

NASA NTRS1983

New perspectives for advanced automobile diesel engines

Computer simulation results are presented for advanced automobile diesel engine performance. Four critical factors for performance enhancement were identified: (1) part load preheating and exhaust gas energy recovery, (2) fast heat release combustion process, (3) reduction in friction, and (4) air handling system efficiency. Four different technology levels were considered in the analysis. Simulation results are compared in terms of brake specific fuel consumption and vehicle fuel economy in km/liter (miles per gallon). Major critical performance sensitivity areas are: (1) combustion process, (2) expander and compressor efficiency, and (3) part load preheating and compound system. When compared to the state of the art direct injection, cooled, automobile diesel engine, the advanced adiabatic compound engine concept showed the unique potential of doubling the fuel economy. Other important performance criteria such as acceleration, emissions, reliability, durability and multifuel capability are comparable to or better than current passenger car diesel engines.

Tozzi, L.↗

NASA NTRS1991

Transient motion of thick anisotropic plates

Analyses are developed for the response of anisotropic plate strips to a transient load. The load is taken in the form of a line load of normal stress on the surface or within the body of the strip. The characteristic free vibrational modes of the strip are derived and used to derive the secular equation for this case in closed form and to isolate the mathematical conditions for symmetric and antisymmetric wave mode propagation in completely separate terms. The applied loads are expanded in terms of these normal modes and the response of the plate is obtained by superposition of the appropriate components. Material systems of higher symmetry are contained implicitly in the analysis.

Nayfeh, Adnan H.↗

NASA NTRS1994

Theoretical modeling of GHRS observations of the Of/WN-type star R136a5

We present a theoretical analysis of the Hubble Space Telescope (HST) Goddard High Resolution Spectrograph (GHRS) spectrum of R136a5, an O3fWN star in the R136a cluster in 30 Doradus. Using non-LTE extended and expanding model atmospheres, we find a surprisingly high mass-loss rate dot-M = 1.8 +/- 0.5 x 10(exp -5) solar mass/yr and an effective temperature T(sub eff) = 42.5 +/- 2.5 kK. With the observed visual magnitude, this implies a radius R(sub *) = 17 +/- 2 solar radius and a solar luminosity L = 8.5 +/- 1 x 10(exp 5) solar luminosity. We discuss possible sources of the uncertainties in the derived stellar parameters and conclude that the effective temperature may be underestimated; however, if so, the value of the mass-loss rate would not be affected.

Koter, Alex DE↗

NASA NTRS1997

Sustainable Biosphere Initiative Project

The goal of the Advanced Technology in Ecological Sciences project is to gain broad participation within the environmental scientific community in developing a research agenda addressing the development and refinement of technologies instrumental to research that responds to these challenges (e.g. global climate change, unsustainable resource use, and threats to biological diversity). The following activities have been completed: (1) A listserve 'eco-tech was set up to serve as a clearinghouse of information about activities and events relating to advanced technologies; (2) A series of conference calls were organized on specific topics including data visualization and spatial analysis, and remote sensing; and (3) Two meetings were organized at the 19% ESA Annual Meeting in Providence, Rhode Island. Topics covered included concerns about tool and data sharing; interest in expanded development of ground-based remote sensing technologies for monitoring; issues involved in training for using new technologies and increasing data streams, and- associated implications of data processing capabilities; questions about how to develop appropriate standards (i.e. surface morphology classification standards) that facilitate the exchange and comparison of analytical results; and some thoughts about remote sensing platforms and vehicles.

Source record↗

NASA NTRS1999

Ocean-Atmosphere Interaction in Climate Changes

The diagram, which attests the El Nino teleconnection observed by the NASA Scatterometer (NSCAT) in 1997, is an example of the results of our research in air-sea interaction - the core component of our three-part contribution to the Climate Variability Program. We have established an interplay among scientific research, which turns spacebased data into knowledge, a push in instrument technology, which improves observations of climate variability, and an information system, which produces and disseminates new data to support our scientific research. Timothy Liu led the proposal for advanced technology, in response to the NASA Post-2002 Request for Information. The sensor was identified as a possible mission for continuous ocean surface wind measurement at higher spatial resolution, and with the unique capability to measure ocean surface salinity. He is participating in the Instrument Incubator Program to improve the antenna technology, and is initiating a study to integrate the concept on Japanese missions. He and his collaborators have set up a system to produce and disseminate high level (gridded) ocean surface wind/stress data from NSCAT and European missions. The data system is being expanded to produce real-time gridded ocean surface winds from Quikscat, and precipitation and evaporation from the Tropical Rain Measuring Mission. It will form the basis for a spacebased data analysis system which will include momentum, heat and water fluxes. The study on 1997 El Nino teleconnection illustrates our interdisciplinary and multisensor approach to study climate variability. The diagram shows that the collapse of trade wind and the westerly wind anomalies in the central equatorial Pacific led to the equatorial ocean warming. The equatorial wind anomalies are connected to the anomalous cyclonic wind pattern in the northeast Pacific. The anomalous warming along the west coast of the United States is the result of the movement of the pre-existing warm sea surface temperature anomalies with the cyclonic wind anomalies toward the coast. The results led to a new study which identifies decadal ocean variations in the Northeast Pacific. Three studies of oceanic responses to wind forcing caused by the seasonal change of monsoons, the passage of a typhoon, and the 1997 El Nino, were successfully conducted. Besides wind forcing, we continue to examine new techniques for estimating thermal and hydrologic fluxes, through the inverse ocean mixed-layer model, through divergence of atmospheric water transport, and by direct retrieval from radiances observed by microwave radiometers. Greenhouse warming has been linked to water vapor measured by two spaceborne sensors in two studies. In the first study, strong baroclinicity and deep convection were found to transport water vapor to the upper atmosphere and increase greenhouse trapping over the storm tracks of the North Pacific and Atlantic. In another study, the annual cycle of greenhouse warming were related to sea surface temperature (SST) and integrated water vapor, and the latitudinal dependence of the magnitudes and phases of the annual cycles were compared.

Liu, W. Timothy↗

NASA NTRS2001

Earth Remote Sensing: A Column Closure Approach

Entering the new millennium, there is no doubt that scientists expand greatly their scientific knowledge of the Earth system by utilizing unique capabilities from the vantage points of space. These global satellite observations include the NASA/NOAA Pathfinder and other ongoing data analysis projects, the Earth Observing System (EOS) program, the Earth System Science Pathfinders (ESSP) small research satellite missions, multi-agency planning for the National Polar-orbiting Operational Environmental Satellite (NPOESS), and other international satellite missions. However, using satellite remotely sensed data alone cannot explore fully the physical processes and energetic balance involved in our changing climate. To close the loop, the ground-based remote sensing and airborne in situ measurements are required. This talk provides an overview of the general strategy of Earth remote sensing for a column closure approach and discusses necessary instrumentation.

Tsay, Si-Chee↗

NASA NTRS2003

The Effect of Stabilization Heat Treatments on the Tensile and Creep Behavior of an Advanced Nickel-Based Disk Alloy

As part of NASA s Advanced Subsonic Technology Program, a study of stabilization heat treatment options for an advanced nickel-base disk alloy, ME 209, was performed. Using a simple, physically based approach, the effect of stabilization heat treatments on tensile and creep properties was analyzed in this paper. Solutions temperature, solution cooling rate, and stabilization temperature/time were found to have a significant impact on tensile and creep properties. These effects were readily quantified using the following methodology. First, the effect of solution cooling rate was assessed to determine its impact on a given property. The as-cooled property was then modified by using two multiplicative factors which assess the impact of solution temperature and stabilization parameters. Comparison of experimental data with predicted values showed this physically based analysis produced good results that rivaled the statistical analysis employed, which required numerous changes in the form of the regression equation depending on the property and temperature in question. As this physically based analysis uses the data for input, it should be noted that predictions which attempt to extrapolate beyond the bounds of the data must be viewed with skepticism. Future work aimed at expanding the range of the stabilization/aging parameters explored in this study would be highly desirable, especially at the higher solution cooling rates.

Gayda, John↗

NASA NTRS2012

Large Scale Experiments on Spacecraft Fire Safety

Full scale fire testing complemented by computer modelling has provided significant know how about the risk, prevention and suppression of fire in terrestrial systems (cars, ships, planes, buildings, mines, and tunnels). In comparison, no such testing has been carried out for manned spacecraft due to the complexity, cost and risk associated with operating a long duration fire safety experiment of a relevant size in microgravity. Therefore, there is currently a gap in knowledge of fire behaviour in spacecraft. The entire body of low-gravity fire research has either been conducted in short duration ground-based microgravity facilities or has been limited to very small fuel samples. Still, the work conducted to date has shown that fire behaviour in low-gravity is very different from that in normal-gravity, with differences observed for flammability limits, ignition delay, flame spread behaviour, flame colour and flame structure. As a result, the prediction of the behaviour of fires in reduced gravity is at present not validated. To address this gap in knowledge, a collaborative international project, Spacecraft Fire Safety, has been established with its cornerstone being the development of an experiment (Fire Safety 1) to be conducted on an ISS resupply vehicle, such as the Automated Transfer Vehicle (ATV) or Orbital Cygnus after it leaves the ISS and before it enters the atmosphere. A computer modelling effort will complement the experimental effort. Although the experiment will need to meet rigorous safety requirements to ensure the carrier vehicle does not sustain damage, the absence of a crew removes the need for strict containment of combustion products. This will facilitate the possibility of examining fire behaviour on a scale that is relevant to spacecraft fire safety and will provide unique data for fire model validation. This unprecedented opportunity will expand the understanding of the fundamentals of fire behaviour in spacecraft. The experiment is being developed by an international topical team that is collaboratively defining the experiment requirements and performing supporting analysis, experimentation and technology development. This paper presents the objectives, status and concept of this project.

Urban, David L.↗