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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Weak Gravitational Lensing of Low Surface Brightness Galaxies in the DES Year 3 Catalog

We present galaxy-galaxy lensing measurements of a sample of low surface brightness galaxies (LSBGs) drawn from the Dark Energy Survey Year 3 (Y3) data. LSBGs are diffuse galaxies with a surface brightness dimmer than the ambient night sky. Given their faintness, the use of standard observational techniques proves challenging. Weak gravitational lensing probes both the baryonic and dark matter content of galaxies, rendering it a powerful technique to estimate LSBG masses. The LSBG lens sample consists of 23, 790 total extended galaxies separated into red and blue color types at \(g-i\ge 0.60\) and \(g-i\le 0.60\), respectively. We use the Y3 \metacal\ shape catalog as the source sample, with a number density of {\color{red}\(5.59 \mathrm{gal}/\mathrm{arcmin}^2\)}. We measure the tangential shear around the lens galaxies across angular scales of \(0.25-400\) arcmin and find a signal-to-noise of 6.67 for red galaxies, 2.17 for blue galaxies, and 5.30 for the total sample. W e fit a model built from two NFW profiles corresponding to the LSBG dark matter subhalo and host halo to the red LSBG shear measurements with an MCMC. We estimate the host halo mass at \(7.3 ^{+2.0}_{-1.6}\times 10^{12} M_\mathrm{\odot}\). We place a 95\% upper bound on the subhalo mass at \(2.8\times 10^{11} M_\mathrm{\odot}\). We utilize the lens sample photometry to obtain an estimate of the red LSBG stellar mass distribution. We compare the ratio between the stellar mass and the subhalo mass to the parameterized, satellite-specific SHMR \citep{Moster2010}. This work represents the first example of an attempted constraint on the masses of LSBGs using weak gravitational lensing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Dark Energy Spectrographic Instrument (DESI) Optical Fiber System

The specific research of the DESI project is to study in detail the expansion history of the Universe over the past 10 billion years. In order to do this, the project designed, fabricated, tested and commissioned the DESI instrument which has been deployed at the Mayall Telescope at the Kitt Peak National Observatory near Tucson, Arizona. The DESI project was conducted by approximately 30 US and foreign national laboratories. The complete instrument includes a prime focus corrector assembly, a focal plane with 5,000 optical fibers whose position can be set by robotic positioners, and ten spectrographs. Each spectrograph can accommodate the light from 500 fibers and include three color channels that are illuminated by a common collimator mirror and other planar transfer optics. In order for this entire system to work, optical fibers are required to connect each positioner to the spectrographs. Our CRADA with Durham University in the UK provided the 10 crucial fiber cables required to connect the DESI focal plane to the 10 spectrographs. The key major goals of this CRADA were achieved. Survey planning was another key component to the Durham contribution. Drs. Frenk, Baugh, Cole, Edge, Lacey, Li, Lucey, Massey, Metcalfe, Norberg and Shanks were all important contributors to the working groups to which they were assigned. Their work to implement emission lines and QSO in lightcone mocks, mocks for non-standard cosmologies/modified gravity, optimization of completeness of BGS in crowded regions and extended source photometry have been vital in the early planning for targets during commissioning. The major role in the project involved Dr. Ray Sharples and his team. They provided a significant portion of the design, fabrication and testing of the optical fiber system. In particular, they were responsible for the design, production of engineering drawings, component procurements, and fabrication of the 10 DESI Science fiber cables. Working in close collaboration with Dr. Claire Poppett, they also designed and fabricated the slit assemblies, the specialized termination of the groups of 500 fibers which plug into the spectrographs.

47 OTHER INSTRUMENTATION↗
NASA NTRS2017

RNAV STAR Procedural Adherence

Flight crews and air traffic controllers have reported many safety concerns regarding area navigation standard terminal arrival routes (RNAV STARs). However, our information sources to quantify these issues are limited to subjective reporting and time consuming case-by-case investigations. This work is a preliminary study into the objective performance of instrument procedures and provides a framework to track procedural concepts and assess design functionality. We created a tool and analysis methods for gauging aircraft adherence as it relates to RNAV STARs. This information is vital for comprehensive understanding of how our air traffic behaves. In this exploratory archival study, we mined the performance of 24 major US airports over the preceding three years. Overlaying radar track data on top of RNAV STAR routes provided a comparison between aircraft flight paths and the waypoint positions and altitude restrictions. NASA Ames Supercomputing resources were utilized to perform the data mining and processing. We assessed STARs by lateral transition path (full-lateral), vertical restrictions (full-lateralfull-vertical), and skipped waypoints (skips). In addition, we graphed aircraft altitudes relative to the altitude restrictions and their occurrence rates. Full-lateral adherence was generally greater than Full-lateralfull-vertical, but the difference between the rates was not always consistent. Full-lateralfull-vertical adherence medians of the 2016 procedures ranged from 0 in KDEN (Denver) to 21 in KMEM (Memphis). Waypoint skips ranged from 0 to nearly 100 for specific waypoints. Altitudes restrictions were sometimes missed by systematic amounts in 1000 ft. increments from the restriction, creating multi-modal distributions. Other times, altitude misses looked to be more normally distributed around the restriction. This tool may aid in providing acceptability metrics as well as risk assessment information.

rnav↗
DOE OSTI2022

Advanced modeling and simulation of research reactors using dynamic mode decomposition

Full text of publication follows. Due to the ever-increasing safety requirements, the current trend of nuclear reactor analysis is shifting towards high-fidelity multi-physics models, which have a very high computational cost and modelling complexity. As the cost of even a single model run makes it impossible to analyse the behaviour and performance of these models on large-scale commercial plants, it has become even more significant to provide suitable benchmarks to validate and test them extensively. In this sense, research reactors offer a promising solution for the initial validation of high-fidelity models, as they are significantly smaller than commercial reactors and their characteristics are well known. In particular, the reactors of the TRIGA family have been used to assess and validate models and methods for Generation-IV designs, as they have some similar features (such as the dominance of natural convection as cooling mechanism and the difficulties in performing sub-channel analysis using standard codes). Still, the computational requirements of high-fidelity models make them unsuitable for real-time analysis, even following their assessment on research reactors. In this sense, Model Order Reduction (MOR) techniques give an additional strategy to reduce the computational cost of high-fidelity models (whilst preserving sufficient accuracy). In particular, this work focuses on Dynamic Mode Decomposition (DMD), a non-intrusive MOR technique that aims at representing models with explicit temporal dynamics by extracting the time-varying characteristics and the governing structures based only on a set of available data, thus without needing any underlying knowledge of the governing equations. In addition, DMD also computes a low-dimensional surrogate of the dynamic matrix of the system, making it suited for stability analysis and real-time evaluations. This work focuses on the application and validation of the DMD method on the Computational Fluid-Dynamics (CFD) model TRIGA Mark II reactor, also discussing in detail the potentiality of this algorithm as an advanced modelling tool for nuclear reactor analysis. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2002

Continuous pH monitoring in a perfused bioreactor system using an optical pH sensor

Monitoring and regulating the pH of the solution in a bioprocess is one of the key steps in the success of bioreactor operation. An in-line optical pH sensor, based on the optical absorption properties of phenol red present in the medium, was developed and tested in this work for use in NASA space bioreactors based on a rotating wall-perfused vessel system supporting a baby hamster kidney (BHK-21) cell culture. The sensor was tested over three 30-day and one 124-day cell runs. The pH sensor initially was calibrated and then used during the entire cell culture interval. The pH reported by the sensor was compared to that measured by a fiber optically coupled Shimadzu spectrophotometer and a blood gas analyzer. The maximum standard error of prediction for all the four cell runs for development pH sensor against BGA was +/-0.06 pH unit and for the fiber optically coupled Shimadzu spectrophotometer against the blood gas analyzer was +/-0.05 pH unit. The pH sensor system performed well without need of recalibration for 124 days. Copyright 2002 Wiley Periodicals, Inc.

Bioreactors↗
NASA NTRS1998

New Approach to Diagnosing Properties of Protoplanetary Disks

In this paper we suggest that subjecting the observationally derived properties of protoplanetary disks to the evolutionary interpretation yields new insights into the working of those disks, and offers valuable constraints on their models. We propose that the global properties of individual disks, such as their accretion rates and disk masses, sorted by the mass of the central star, can be indexed by the age of the star to simulate the evolution of a single disk. Using data from published surveys of T Tauri stars, we show that accretion rate data, and disk mass data for the lowest mass stars, form well-defined evolutionary tracks. The higher mass stars show a definitive negative correlation between accretion rates and star ages. We use the time-dependent alpha-disk model of the viscous protoplanetary disk to link the theory to observations. The data are consistent with the standard theoretical paradigm, but not with the layered accretion model. The best fits to the data are obtained for the standard models that start with disks that are about one-third of the mass of the central star and have their angular momenta, j, and alpha-coefficients linked by the relationship j varies as Solar mass(exp 3/2)alpha(exp 1/3). The proportionality constant in this relationship, when derived from the accretion rate data, differs from the constant derived from the disk mass data. We argue that the accretion rate data are more reliable. Taking into account typical values of the specific angular momentum of disk-forming matter, we obtain alpha is greater than or equal to 10(exp -2). A complete time-dependent standard disk model, built on the parameters determined from the best-fit procedure, is presented. Such a model constitutes a good point of departure for various theoretical studies aimed at the issue of formation of planetary systems and the character of protoplanetary disks.

Stepinski, Tomasz F.↗
NASA NTRSDate not supplied

The Design of a Flexible, Interoperable Navigation Signal for Future Lunar Missions

The LunaNet Interoperability Specification (LNIS) is a set of standards currently under development by NASA, ESA, and JAXA, which define a common, interoperable set of services and interfaces for lunar communication and navigation. The LNIS includes specifications for the GNSS-like Augmented Forward Signal (AFS). The LANS (Lunar Augmented Navigation Service) will be comprised of Multiple LunaNet Service Provider (LNSP) nodes broadcasting the AFS, such as NASA’s LCRNS (Lunar Communications Relay and Navigation Systems), ESA’s Moonlight LCNS (Lunar Communication and Navigation Services) and the Japan LNSS (Lunar Navigation Satellite System). The LANS will provide a GNSS-like capability enabling orbiting and surface users in lunar space (such as Artemis) to estimate their position, velocity and time as described in Giordano et al., (2023). Initial capabilities will focus on providing service to the lunar South pole region. The specification of AFS defines two orthogonal signal components on a single carrier, with the in-phase component (AFS-I) being a lower-chip-rate data channel tailored for applications where low SWaP is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q) being a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in the LNIS, (2023), and initial analysis results were shown in Dafesh, et al., (2024). In this work, we provide rationale for updates to the LNIS that define key aspects of the signal including the primary spreading code designs for the data and pilot channels, and a three-tiered overlay code approach for the pilot channel that provides flexible signal acquisition alternatives, rapid time dissemination and robust frame Sync. The paper also describes a robust data sync word that is designed to enable frame Sync. for low-SWaP receivers that only use the I channel, as well as a low-density parity check code (LDPC) data message encoding design and interleaving definition. The work further describes the impact of the updated AFS design in terms of improved acquisition performance, interference resistance, navigation message capabilities and rapid absolute time dissemination for users able to access clock and ephemeris data over an external network. The cross-correlation and synchronization performance of the AFS design is also compared to potential alternatives, further providing rationale for the final signal design configuration.

LANS↗
NASA NTRS2025

The Design of a Flexible, Interoperable Navigation Signal for Future Lunar Missions

The LunaNet Interoperability Specification (LNIS) is a set of standards currently under development by NASA, ESA, and JAXA, which define a common, interoperable set of services and interfaces for lunar communication and navigation. The LNIS includes specifications for the GNSS-like Augmented Forward Signal (AFS). The LANS (Lunar Augmented Navigation Service) will be comprised of Multiple LunaNet Service Provider (LNSP) nodes broadcasting the AFS, such as NASA’s LCRNS (Lunar Communications Relay and Navigation Systems), ESA’s Moonlight LCNS (Lunar Communication and Navigation Services) and the Japan LNSS (Lunar Navigation Satellite System). The LANS will provide a GNSS-like capability enabling orbiting and surface users in lunar space (such as Artemis) to estimate their position, velocity and time as described in Giordano et al., (2023). Initial capabilities will focus on providing service to the lunar South pole region. The specification of AFS defines two orthogonal signal components on a single carrier, with the in-phase component (AFS-I) being a lower-chip-rate data channel tailored for applications where low SWaP is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q) being a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in the LNIS, (2023), and initial analysis results were shown in Dafesh, et al., (2024). In this work, we provide rationale for updates to the LNIS that define key aspects of the signal including the primary spreading code designs for the data and pilot channels, and a three-tiered overlay code approach for the pilot channel that provides flexible signal acquisition alternatives, rapid time dissemination and robust frame Sync. The paper also describes a robust data sync word that is designed to enable frame Sync. for low-SWaP receivers that only use the I channel, as well as a low-density parity check code (LDPC) data message encoding design and interleaving definition. The work further describes the impact of the updated AFS design in terms of improved acquisition performance, interference resistance, navigation message capabilities and rapid absolute time dissemination for users able to access clock and ephemeris data over an external network. The cross-correlation and synchronization performance of the AFS design is also compared to potential alternatives, further providing rationale for the final signal design configuration.

LunaNet↗
DOE OSTI2020

Removing the Cloak of Secrecy from Legacy Cleanup at Los Alamos national Laboratory - 20395

With the establishment in 2018 of the Los Alamos Legacy Cleanup Contract, the Department of Energy's (DOE) Environmental Management Los Alamos Field Office (EM-LA) and its contractor Newport News Nuclear BWXT Los Alamos (N3B) embarked on an expansive program to engage a broad range of local and regional stakeholders in the decision-making process for cleanup of legacy wastes (pre-1999) at the Los Alamos National Laboratory (LANL). From the inception of LANL during the Manhattan Project until the issuance of the new cleanup contract, the site was managed by a single management and operations (M and O) contactor whose main focus was national security. Segmenting from laboratory operations a separate cleanup contract managed by DoE's Office of Environmental Management (EM) brought new opportunities for the cleanup of legacy waste. That change likewise has opened new opportunities for engaging the community on legacy cleanup decisions. The new legacy cleanup contract - an unclassified contract - emphasizes public outreach, marking a cultural shift in how stakeholders in Los Alamos and throughout northern New Mexico are engaged. Without the constraints of classified work, EM-LA and N3B have increased the level of transparency with the public regarding cleanup activities. EM-LA and N3B have crafted an approach that best meets the values, priorities and needs of the neighboring communities by adapting the model successfully employed at Rocky Flats. Through enhanced stakeholder involvement, EM-LA will implement decisions that have considered broad input and deliver a safe and efficient cleanup of the site. EM-LA and N3B began the expanded stakeholder outreach program in January 2019, leading up to four Environmental Management Cleanup Forums held in the summer of 2019. EM-LA and N3B are now in the process of initiating a series of meetings with various stakeholder groups to determine their 'values' as they relate to cleanup using a novel approach that elicits and records values. The entire process is documented, ensuring that should questions arise about how, when and why decisions were made, they can be easily addressed. In addition to other public meetings to present cleanup scenarios and solicit active public involvement in cleanup decisions, the EM-LA and N3B approach involves discussions with stakeholders who want to explore specific technical issues and cleanup discussions in depth. EM-LA and N3B are also evaluating and implementing a variety of communications tools to help ensure the engagement plan sets the gold standard for transparency in legacy cleanup and stakeholder involvement. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Field retrieved photovoltaic backsheet survey from diverse climate zones: Analysis of degradation patterns and phenomena

Understanding the impact of climate stressors on photovoltaic (PV) backsheet degradation in real-use conditions is critical to improve the accelerated testing exposures, extend the backsheet lifetime, and increase the confidence in PV reliability. Here, in this work, a total of 33 PV module backsheets were retrieved from six climatic zones worldwide with 2 - 28 years of exposure. These modules included five types of backsheet air-side materials (or outer layer): poly(vinylidene fluoride) (PVDF), poly(tetrafluoroethylene-co-hexafluoropropylene-co-vinylidene fluoride) (THV), poly(vinyl fluoride) (PVF), poly(ethylene terephthalate) (PET), and polyamide (PA). Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR) was used to identify air-side materials. The degradation induced color change, gloss loss, and chemical material changes analyzed using optical microscopy, differential scanning calorimetry (DSC), scanning electron microscopy (SEM), colorimetry (yellowness index (YI)), and gloss measurements. PVDF, THV, and PVF air-side layer backsheets, in particular PVF, had minimal degradation in the air-side layer appearance and chemical structures after exposure in different climatic zones. The PET air-side backsheets exhibited obvious color increase (22.55 YI units after about 9 years exposure) and the PA/PA/PA backsheets showed large gloss loss (up to 76.4 %) relative to the unexposed backsheets. Severe cracks between cells that penetrated through the entire thickness of backsheets are observed on PA/PA/PA backsheets after 4-6 years of exposure in 6 climatic zones. The current indoor exposure standards were not sufficient to identify this degradation type. However, fluoropolymer based PV backsheets showed lower levels of degradation predictors and increased climatic resistance. Specific samples (PVF) showed little change from baseline after 28 years of outdoor exposure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2020

Novel High Barrier Films for Packaging Food and Medicine

Long manned missions require food packaging to maintain food safety, nutrition, and acceptability for the length of 3-5 years1,2 while the shelf life assigned by NASA for current provisions is 18-24 months1. The focus of this design project was to make a polymer film specifically to function as a high oxygen barrier to later be included in an improved multi-layer packaging system of other specialized polymers with capabilities to allow for a 5-year shelf-life. To qualify as a high oxygen barrier film and to be a successful design for the future packaging, the resulting film is required to have an oxygen transmission rate (OTR) less than 0.06 cc/ m2/24 hr/atm, the standard for the current packaging3. This new film was designed to have a decreased permeability by increasing the “tortuous path” a gas molecule travels to permeate through a film. The increase in the “tortuous path” of a gas molecule is accomplished by introducing a 2D material additive. The additive chosen for this project was hexagonal boron nitride (h-BN) which exfoliates into boron nitride nanosheets (BNNs). Nylon 6 was chosen as the candidate for the matrix. This project is required to determine the best methods to synthesize the sample film and then to test the OTR of the film to determine if this design was successful. This project examined methods for pulverizing polymer resin pellets, h-BN exfoliation, and film fabrication using a hot press. This report includes the exfoliation and analysis of h-BN, procedural preparations for films, and a modeling study of estimated OTR of the h-BN/Nylon. The work in this report did not yield a high barrier composite film because of the laboratory closure in response to COVID -19 guidance but provides a concise method of the additive preparation and film synthesis. This gives a good starting point for future research in high barrier films by 2D additive composites.

Polymer, Nylon, PET, boron nitride, nanocomposite↗
NASA NTRS2006

Leadership Challenges in ISS Operations: Lessons Learned from Junior and Senior Mission Control Personnel

The International Space Station (ISS) is operated by a multi-national, multi-organizational team that is dispersed across multiple locations, time zones, and work schedules. At NASA, both junior and senior mission control personnel have had to find ways to address the leadership challenges inherent in such work, but neither have had systematic training in how to do so. The goals of this study were to examine the major leadership challenges faced by ISS mission control personnel and to highlight the approaches that they have found most effective to surmount them. We pay particular attention to the approaches successfully employed by the senior personnel and to the training needs identified by the junior personnel. We also evaluate the extent to which responses are consistent across the junior and senior samples. Further, we compare the issues identified by our interview survey to those identified by a standardized questionnaire survey of mission control personnel and a contrasting group of space station crewmembers. We studied a sample of 14 senior ISS flight controllers and a contrasting sample of 12 more junior ISS controllers. Data were collected using a semi-structured qualitative interview and content analyzed using an iterative process with multiple coders and consensus meetings to resolve discrepancies. To further explore the meaning of the interview findings, we also conducted new analyses of data from a previous questionnaire study of 13 American astronauts, 17 Russian cosmonauts, and 150 U.S. and 36 Russian mission control personnel supporting the ISS or Mir space stations. The interview data showed that the survey respondents had substantial consensus on several leadership challenges and on key strategies for dealing with them, and they offered a wide range of specific tactics for implementing these strategies. Interview data from the junior respondents will be presented for the first time at the meeting. The questionnaire data showed that the US mission control sample reported a level of support from their management that compared favorably to national norms. American mission control personnel and Russian crewmembers reported higher supervisor support than American crewmembers and Russian mission control personnel. We will present the specific issues underlying these findings and compare and contrast the results from the two datasets. Although specific to space station personnel, our results are consistent with recent management, cultural, and aerospace research. We aim to use our results to improve training for current and future mission control personnel.

Clement, James L.↗
DOE OSTI2023

High-dimensional isotomics, part 2: Observations of over 100 constraints on methionine's isotome

The abundances of different isotopic forms of a compound, or isotopologues, will vary based on its physical and chemical history. The number of isotopologues increases combinatorically with the size of a molecule, and even small molecules such as amino acids have thousands of potentially observable isotopic variants. However, due to the analytical challenges of separating and observing isotopologues, only a few dimensions of isotopic diversity are routinely measured. Overcoming these challenges requires both an experimental method to observe many isotopic properties and a theoretical framework for interpreting these experiments. In Part 1, we presented such a theoretical framework; here, we demonstrate an experimental method, which we apply to methionine. Our approach uses a Q Exactive HF Orbitrap to perform several “M + N experiments”, where a sample is ionized, a subset of its isotopologues with cardinal mass N daltons greater than the unsubstituted isotopologue is selected and fragmented, and the proportions of all detectable isotopic forms of those fragment ions are quantified. We perform M + 1, M + 2, M + 3, and M + 4 experiments of a methionine sample and standard where the sample has a 100 ‰ enrichment of 13C at the methyl carbon relative to the natural 13C abundance at that position in the standard, and is otherwise identical to the standard. We observe isotopic forms of 8 fragment ion species for each version of the M + N experiment. With the assistance of a forward model of expected mass spectra, we identify isotopic peaks for each fragment ion based on observed mass and abundance, screen these for data quality, and quantify abundances for 146 unique isotopic peaks at precisions of ≈ 0.3–3 ‰. We present our direct observations and use them to reconstruct the concentrations of 19 individual singly, doubly, and triply-substituted isotopologues; doing so gives fewer constraints and broader error bars than working with the direct observations, but may be more interpretable for some applications. We also examine possibilities for measuring additional peaks, which are primarily limited by the detection limit of the Orbitrap-IRMS method. We then suggest some possible uses of our direct measurements for chemical forensics and hypothesis testing. Furthermore, our results demonstrate the diversity of isotopic constraints currently observable and interpretable for organic molecules.

58 GEOSCIENCES↗
DOE OSTI2022

Accelerated computation of lattice thermal conductivity using neural network interatomic potentials

We report with the development of the density functional theory (DFT) and ever-increasing computational capacity, an accurate prediction of lattice thermal conductivity based on the Boltzmann transport theory becomes computationally feasible, contributing to a fundamental understanding of thermal conductivity as well as a choice of the optimal materials for specific applications. However, steep costs in evaluating third-order force constants limit the theoretical investigation to crystals with high symmetry and few atoms in the unit cell. Currently, machine learning potentials are garnering attention as a computationally efficient high-fidelity model of DFT, and several studies have demonstrated that the lattice thermal conductivity could be computed accurately via the machine learning potentials. However, test materials were mostly crystals with high symmetries, and the applicability of machine learning potentials to a wide range of materials has yet to be demonstrated. Furthermore, establishing a standard training set that provides consistent accuracy and computational efficiencies across a wide range of materials would be useful. To address these issues, herein we compute lattice thermal conductivities at 300 K using neural network interatomic potentials. As test materials, we select 25 materials with diverse symmetries and a wide range of lattice thermal conductivities between 10 -1 and 10 3 Wm -1 K -1 . Among various choices of training sets, we find that molecular dynamics trajectories at 50–700 K consistently provide results at par with DFT for the test materials. In contrast to pure DFT approaches, the computational cost in the present approach is uniform over the test materials, yielding a speed gain of 2–10 folds. When a smaller reduced training set is used, the relative efficiency increases by up to ~50 folds without sacrificing accuracy significantly. The current work will broaden the application scope of machine learning potentials by establishing a robust framework for accurately computing lattice thermal conductivity with machine learning potentials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Development of Direct Injection/Ionization Mass Spectrometry Methods for Whole Molecule Characterization

The objective of this work is to adapt ambient ionization mass spectrometry (AMS) techniques for the rapid analysis of intact uranium complexes, stable strontium, cerium, and explosive compounds. The methods used were “soft ionization” techniques, which facilitate the detection of whole molecule complexes. The soft ionization mass spectrometry (MS) techniques that were investigated include paper spray ionization (PSI), matrix-assisted ionization (MAI), electrospray ionization (ESI) and direct analysis in real time (DART). For the first time, PSI-MS methods were successfully developed for whole molecule uranium-containing analytes (uranyl acetate, uranyl nitrate, and uranyl-tributylphosphate complexes). This was also the first demonstration of uranium complex detection and characterization and one of the few examples of inorganic analysis using MAI techniques. Proof of concept experiments also putatively identified matrix-derived ions and ion complexes that have not previously been described in the literature. Additionally, PSI-MS on cotton swipe samples doped with a multi-element standard containing μg levels of U, Bi, Pb, Cd, Fe, and Zn were directly analyzed without purification, representing a major improvement over existing methods. Both PSI and MAI methods demonstrated limits of detection (LODs) in the 10 - 100’s ng for various uranyl species within a range of 10’s ppm - 100’s ppb, dependent on analytical method and analyte species. AMS methods were also developed for other inorganics, including Ce and Sr, and organic explosive residues to address specific challenges in environmental monitoring and forensics. Further refinement and qualification of the AMS techniques developed within this effort would lead to significant cost reduction and timeliness by facilitating the triage and queueing of samples for subsequent more sensitive and time-consuming analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

The Role of Strong Magnetic Fields in Stabilizing Highly Luminous Thin Disks

Abstract We present and analyze a set of three-dimensional, global, general relativistic radiation magnetohydrodynamic simulations of thin, radiation-pressure-dominated accretion disks surrounding a nonrotating, stellar-mass black hole. The simulations are initialized using the Shakura–Sunyaev model with a mass accretion rate of M ̇ = 3 L Edd / c 2 (corresponding to L = 0.17 L Edd ). Our previous work demonstrated that such disks are thermally unstable when accretion is driven by an α -viscosity. In the present work, we test the hypothesis that strong magnetic fields can both drive accretion through magnetorotational instability and restore stability to such disks. We test four initial magnetic field configurations: (1) a zero-net-flux case with a single, radially extended set of magnetic field loops (dipole), (2) a zero-net-flux case with two radially extended sets of magnetic field loops of opposite polarity stacked vertically (quadrupole), (3) a zero-net-flux case with multiple radially concentric rings of alternating polarity (multiloop), and (4) a net-flux, vertical magnetic field configuration (vertical). In all cases, the fields are initially weak, with a gas-to-magnetic pressure ratio ≳100. Based on the results of these simulations, we find that the dipole and multiloop configurations remain thermally unstable like their α -viscosity counterpart, in our case collapsing vertically on the local thermal timescale and never fully recovering. The vertical case, on the other hand, stabilizes and remains so for the duration of our tests (many thermal timescales). The quadrupole case is intermediate, showing signs of both stability and instability. The key stabilizing factor is the ability of specific field configurations to build up and sustain strong, P mag ≳ 0.5 P tot , toroidal fields near the midplane of the disk. We discuss the reasons why certain configurations are able to do this effectively and others are not. We then compare our stable simulations to the standard Shakura–Sunyaev disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Lessons from the IEC Durability of Adhesion Accelerated Test Sequence

The IEC 62788-1-1 and IEC 63209-2 standards use aging sequences for durability of adhesion in photovoltaic (PV) modules, which may be evaluated using the single cantilever beam (SCB) test. Because the encapsulant forms critical interfaces with the front glass and solar cells, degradation at those interfaces under ultraviolet (UV) exposure, elevated temperature, and humidity can lead to interfacial delamination - compromising the long-term reliability. In this work, adhesion durability of UV-transmitting poly(ethylene-co-vinyl acetate) (EVA) encapsulant to glass and to silicon solar cells is evaluated after sequenced UV and damp heat aging (85C/85%RH). Laminates were prepared using StarPhire solar front glass with thin glass or PERC cells, and two EVA formulations with different concentrations of siloxane coupling agent. Adhesion was quantified by measuring critical debond energy using the SCB method. Both formulations exhibit similar qualitative trends, while different adhesion is observed at the periphery despite the use of low-shrink manufacturing. The results show that while glass/EVA adhesion remains stable or increases after UV exposure and shows only moderate changes after damp heat, the EVA/cell interface exhibits an irreversible loss of adhesion following UV and then damp heat exposure. Although glass/EVA interfaces generally exhibit lower debond energies, the EVA/cell interface is significantly more vulnerable to UV-driven degradation, identifying it as the dominant reliability risk location through early- and intermediate-module life. These results demonstrate that accelerated aging sequences can expose large, interface-specific losses in adhesion durability and underscore the importance of interface engineering for long-term PV module reliability.

14 SOLAR ENERGY↗
NASA NTRS2009

A Biomechanical Approach to Assessing Hip Fracture Risk

Bone loss in microgravity is well documented, but it is difficult to quantify how declines in bone mineral density (BMD) contribute to an astronaut's overall risk of fracture upon return. This study uses a biomechanical approach to assessing hip fracture risk, or Factor of Risk (Phi), which is defined as the ratio of applied load to bone strength. All long-duration NASA astronauts from Expeditions 1-18 were included in this study (n=25), while crewmembers who flew twice (n=2) were treated as separate subjects. Bone strength was estimated based on an empirical relationship between areal BMD at the hip, as measured by DXA, and failure load, as determined by mechanical testing of cadaver femora. Fall load during a sideways fall was calculated from a previously developed biomechanical model, which takes into account body weight, height, gender, and soft tissue thickness overlying the lateral aspect of the hip that serves to attenuate the impact force. While no statistical analyses have been performed yet, preliminary results show that males in this population have a higher FOR than females, with a post- flight Phi of 0.87 and 0.36, respectively. FOR increases 5.1% from preflight to postflight, while only one subject crossed the fracture "threshold" of Phi = 1, for a total of 2 subjects with a postflight Phi > 1. These results suggest that men may be at greater risk for hip fracture due largely in part to their relatively thin soft tissue padding as compared to women, since soft tissue thickness has the highest correlation (R(exp 2)= .53) with FOR of all subject-specific parameters. Future work will investigate changes in FOR during recovery to see if baseline risk levels are restored upon return to 1-g activity. While dual x-ray absorptiometry (DXA) is the most commonly used clinical measure of bone health, it fails to provide compartment-specific information that is useful in assessing changes to bone quality as a result of microgravity exposure. Peripheral quantitative computed tomography (pQCT) accomplishes this by imaging transverse "slices" of the long bones. This project was a re-analysis of a 90 day bed rest study to determine if changes to cortical and trabecular compartments could be detected in the distal tibia with statistical significance using a new pQCT image analysis method. Nearly all changes in bone mineral density (BMD) and cross sectional area (CSA) measures were seen with statistical significance, with the exception of a change in cortical BMD. Total bone CSA increased by 1.1 % (p =0.01), cortical CSA decreased by - 5.6% (p<0.001) and trabecular CSA increased by 1.76% (p=0.007); the combination of which suggests bone resorption occurred at the endocortical surface in response to mechanical unloading by bed rest. Furthermore, total BMD and trabecular BMD decreased (-3.8%, p=0.001 and -2.8%, p =0.007, respectively), while decreases in cortical BMD failed to reach significance (-1.2%, p=0.07). Given that compartment-specific changes are seen with significance and are likely to influence bone strength, it is recommended that pQCT remain a standard measure used in bed rest because it provides a unique measure by which to better evaluate the efficacy of countermeasures to microgravity-induced bone loss.

Ellman, Rachel↗