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NASA NTRS1971

Oxidation screening at 1204 C /2200 F/ of candidate alloys for the space shuttle thermal protection system.

Evaluation of the oxidation resistance of 15 alloys under some of the environmental conditions that might be encountered by the shuttle thermal protection system. The alloys included nickel-, iron-, and cobalt-base wrought alloys. Specimens were self-resistively heated to 1204 C (2200 F) in a 10-torr still-air environment for 100 thirty-minute cycles. Specimen weight, thickness, and microstructural changes were noted, and surface scales were identified by room-temperature X-ray diffraction. Based on these observations, the behavior of the alloys was evaluated in terms of overall amount of metal consumption due to oxide formation and relative tendency toward oxide spalling and scale vaporization.

Sanders, W. A.↗

NASA NTRS1993

Identification of the sigma source near 3C 273 - A new class of AGN?

The hard X-ray source detected with SIGMA at an offset of about 15 arcmin from 3C 273 may be identified with an uncataloged Einstein X-ray source detected in the deep Einstein HRI exposure of 3C 273 and in subsequent short IPC exposures. We have identified this source, within the SIGMA error circle, with a faint (mag 19-20) QSO at z = 0.57. Comparison of the SIGMA and Einstein fluxes with this optical object suggest it is highly self-absorbed, and possibly highly variable. The discovery of such a class of AGN would have important consequences for the cosmic X-ray background.

Grindlay, J. E.↗

DOE OSTI2023

From primordial clocks to circadian oscillators

Circadian rhythms play an essential part in many biological processes, and only three prokaryotic proteins are required to constitute a true post-translational circadian oscillator1. The evolutionary history of the three Kai proteins indicates that KaiC is the oldest member and a central component of the clock. Subsequent additions of KaiB and KaiA regulate the phosphorylation state of KaiC for time synchronization. The canonical KaiABC system in cyanobacteria is well understood but little is known about more ancient systems that only possess KaiBC. However, there are reports that they might exhibit a basic, hourglass-like timekeeping mechanism. Here we investigate the primordial circadian clock in Rhodobacter sphaeroides , which contains only KaiBC, to elucidate its inner workings despite missing KaiA. Using a combination of X-ray crystallography and cryogenic electron microscopy, we find a new dodecameric fold for KaiC, in which two hexamers are held together by a coiled-coil bundle of 12 helices. This interaction is formed by the carboxy-terminal extension of KaiC and serves as an ancient regulatory moiety that is later superseded by KaiA. A coiled-coil register shift between daytime and night-time conformations is connected to phosphorylation sites through a long-range allosteric network that spans over 140 Å. Our kinetic data identify the difference in the ATP-to-ADP ratio between day and night as the environmental cue that drives the clock. They also unravel mechanistic details that shed light on the evolution of self-sustained oscillators.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

A core lighting curriculum for university students and lighting professionals

Here, in collaboration with a group of lighting professionals, learning outcomes were defined, prioritized, organized and mapped to a three-course sequence of lighting courses within a Bachelor of Science in Architectural Engineering degree programme. Syllabi and educational exercises were developed to support the learning outcomes – including classroom activities, homework assignments and design projects. The learning exercises balance the technical foundations of applied illuminating engineering with the artistic aspects of applied lighting design and are intended to promote significant and lasting learning by providing students with education that is useful and relevant to current lighting practice. The process for identifying and prioritizing lighting content is described, a process that could be adapted by other lighting educators to other pedagogical contexts. The syllabi and learning exercises are disseminated for reuse or adaptation, or for self-study by independent learners.

42 ENGINEERING↗

NASA NTRS1982

Component-specific modeling

The ability to accurately structurally analyze engine components to assure that they can survive for their designed lifetime in an increasingly harsh environment is discussed. Under the HOST (HOt Section Technology) program, advanced component-specific modeling methods, with built-in analysis capability, will be developed separately for burner liners, turbine blades and vanes. These modeling methods will make maximum use of, but will not rely solely on, existing analysis methods and techniques, to analyze the three identified components. Nor will the complete structural analysis of a component necessarily be performed as a single analysis. The approach to be taken will develop complete software analysis packages with internal, component-specific, self-adaptive solution strategies. Each package will contain a set of modeling and analysis tools. The selection and order of specific methods and techniques within the set to be applied will depend on the specific-component, the current thermo-mechanical loading, and the current state of the component. All modeling and analysis decisions will be made internally based on developed decision criteria within the solution strategies; minimal user intervention will be required.

Hirschbein, M. S.↗

NASA NTRS1983

Development and evaluation of a Fault-Tolerant Multiprocessor (FTMP) computer. Volume 3: FTMP test and evaluation

The experimental test and evaluation of the Fault-Tolerant Multiprocessor (FTMP) is described. Major objectives of this exercise include expanding validation envelope, building confidence in the system, revealing any weaknesses in the architectural concepts and in their execution in hardware and software, and in general, stressing the hardware and software. To this end, pin-level faults were injected into one LRU of the FTMP and the FTMP response was measured in terms of fault detection, isolation, and recovery times. A total of 21,055 stuck-at-0, stuck-at-1 and invert-signal faults were injected in the CPU, memory, bus interface circuits, Bus Guardian Units, and voters and error latches. Of these, 17,418 were detected. At least 80 percent of undetected faults are estimated to be on unused pins. The multiprocessor identified all detected faults correctly and recovered successfully in each case. Total recovery time for all faults averaged a little over one second. This can be reduced to half a second by including appropriate self-tests.

Lala, J. H.↗

NASA NTRS1995

Genetic and molecular dosimetry of HZE radiation (US-1 RADIAT)

In order to estimate radiation exposure in space, experiments were conducted during the 1st International Microgravity Laboratory (IML-1) mission in order to isolate genetic changes in animal cells caused by cosmic rays. The space measurements were evaluated against results from synthetic cosmic rays produced by particle accelerators on the ground. The biological material used was the tiny soil nematode, Caenorhabditis elegans. The measurements were made by thermoluminescent detectors and plastic nuclear track detectors. The development and the chromosome mechanics in microgravity were studied, and the mutagenesis induced by radiation exposure was analyzed. The results showed that there are no obvious differences in the development, behavior and chromosome mechanics, as a function of gravity unloading (reproduction, self-fertilization and mating of males with hermaphrodites, gross anatomy, symmetry and gametogenesis, pairing, disjoining and recombination of chromosomes). A variety of mutants were isolated, and it was noted that mutants isolated from regions of identified high particles were more severely affected than those isolated by random screening. Linear energy transfer particles seem to favor large scale genetic lesions.

Nelson, Gregory A.↗

NASA NTRS2003

Crystallization Physics in Biomacromolecular Systems

The crystals are built of molecules of protein, nucleic acid and their complexes, like viruses, approx. 5x10(exp 3)+ 3x10(exp 6) Da in weight and 2 + 20 nm in effective diameter. This size strongly exceeds action range of molecular forces and makes a big difference with inorganic crystals. Intermolecular contacts form patches on the biomacromolecular surface. Each patch may occupy only a small percent of the whole surface and vary from polymorph to polymorph of the same protein. Thus, under different conditions (pH, solution chemistry, temperature, any area on the macromolecular surface may form a contact. The crystal Young moduli, E approx. equals 0.1 + 0.5 GPa are more than 10 times lower than that of inorganics and the biomolecules themselves. Water within biocrystals (30-70%) is unable to flow unless typical deformation time is longer than approx. 10(exp -5)s. This explains the discrepancy between light scattering and static measurements of E. Nucleation and Growth requires typically concentrations exceeding the equilibrium ones up to 100 times - because of the new size scale results in 10 - 10(exp 3) times lower kinetic coefficients than that needed for inorganic solution growth. All phenomena observed in the latter occur with protein crystallization and are even better studied by AFM. Crystals are typically facetted. Among unexpected findings of general significance are - net molecular exchange flux at kinks is much lower than that expected from supersaturation, steps with low (< approx. 10(exp -2)) kink density at steps follow Gibbs-Thomson law only at very low supersaturations, step segment growth rate may be independent of step energy. Crystal perfection is a must of biocrystallization to achieve the major goal to find 3-D atomic structure of biomacromolecules by x-ray diffraction. Poor diffraction resolution (> 3Angstrom) makes crystallization a bottleneck for structural biology. All defects typical of small molecule crystals are found in biocrystals, but the defects responsible for poor resolution are not identified. Conformational changes are one of them. Biocrystallization in microgravity reportedly results in 20% cases of better crystals. The mechanism of how lack of convection can do this is still not clear. Lower supersaturation, self-purification &om preferentially trapped homologous impurities and step bunching are viable hypotheses.

Chernov, A. A.↗

DOE OSTI2022

2.2.5.401 - Ocean Observing Prize

The Powering the Blue Economy: Ocean Observing Prize is a $2.4M contest that challenges innovators to develop solutions that integrate marine renewable energy with ocean observation platforms to revolutionize our ability to monitor, manage, and understand the ocean. Competitors are challenged to design, build, and test novel, wave-powered, self-charging autonomous underwater vehicle (AUV) systems that could be suitable for a 6-month deployment in the Atlantic Ocean to monitor hurricane formation. Through engagement with the end user ocean observing community, the team identified challenges in a lack of data on storm intensity, endangering coastal communities. This challenge could be addressed by collecting data before, during, and after a hurricane develops and strengthens at sea. Amassing this data, however, requires an ocean observing system that can be deployed at sea for long periods, waiting for approaching storms. To help solve this problem, competitors are working to integrate wave energy capture with AUV systems to collect this data, helping to better protect coastal communities from oncoming storms. Solutions developed through this prize aim to enable long-term collection of data before, during, and after a hurricane that will help better forecast storm intensity. The prize mechanism provides an environment to accelerate technology development for innovators and helps to improve awareness of marine energy and its ability to provide power to blue economy applications.

coastal communities↗

DOE OSTI2022

The Rule of Thirds: Controlling Junction Chirality and Polarity in 3D DNA Tiles

The successful self-assembly of tensegrity triangle DNA crystals heralded the ability to programmably construct macroscopic crystalline nanomaterials from rationally-designed, nanoscale components. This 3D DNA tile owes its “tensegrity” nature to its three rotationally-stacked double helices locked together by the tensile winding of a center strand segmented into 7 base pair (bp) inter-junction regions, corresponding to two thirds of a helical turn of DNA. All reported tensegrity triangles to date have employed [Z + 2/3] turn inter-junction segments, yielding right-handed, antiparallel, “J1” junctions. Here, we report here a minimal DNA triangle motif consisting of 3-bp inter-junction segments, or one third of a helical turn. Here, we find that the minimal motif exhibits a reversed morphology with a left-handed tertiary structure mediated by a locally-parallel Holliday junction—the L1 junction. This parallel junction yields a predicted helical groove matching pattern that breaks the pseudosymmetry between tile faces, and the junction morphology further suggests a folding mechanism. We identify a Rule of Thirds by which supramolecular chirality can be programmed through inter-junction DNA segment length. These results underscore the role that global topological forces play in determining local DNA architecture and ultimately point to an under-explored class of self-assembling, chiral nanomaterials for topological processes in biological systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Spin-phonon interaction and short-range order in Mn 3 Si 2 Te 6

The vibrational properties of ferrimagnetic Mn 3 Si 2 Te 6 single crystals are investigated using Raman spectroscopy and density functional theory calculations. Eighteen Raman-active modes are identified, 14 of which are assigned according to the trigonal symmetry. Four additional peaks, obeying the A 1g selection rules, are attributed to the overtones. The unconventional temperature evolution of the A$^{5}_{1g}$ mode self-energy suggests a competition between different short-range magnetic correlations that significantly impact the spin-phonon interaction in Mn 3 Si 2 Te 6 . This research provides comprehensive insight into the lattice properties, studies their temperature dependence, and shows arguments for the existence of competing short-range magnetic phases in Mn 3 Si 2 Te 6 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Mitigating Algorithmic Bias in Cancer Site Classification Models

Purpose Integrating artificial intelligence in cancer diagnostics has improved tumor classification beyond rule-based systems. Despite these advancements, these models may still encode demographic biases. We conducted a large-scale, applied bias-probing study of a deep learning–based cancer site classifier to quantify race information encoded in document embeddings. We then evaluated how performance changes when race-correlated embedding dimensions are removed in a post-training sensitivity analysis. Methods The cancer site classifier was trained using 3.5 million electronic cancer pathology reports from six of the National Cancer Institute's SEER registries. We trained a hierarchical self-attention network to generate 400-dimensional document embeddings. These embeddings were used to train two downstream, gradient-boosted decision tree classifiers: one to classify the cancer sites and another to predict racial categories. We identified overlapping features by intersecting the top 50 feature-importance rankings from the site and race models and computed their cumulative feature importance in each model. As a post hoc sensitivity analysis, we progressively pruned these overlapping dimensions, retrained the site model, and compared overall macro-F1 and accuracy, race-stratified macro-F1, and group fairness metrics on the basis of demographic parity and equalized odds before and after pruning. Results The analysis revealed minimal feature overlap between the cancer site and race prediction models, and the cumulative importance scores indicated a negligible influence of racial information on clinical predictions. Post-training pruning of overlapping features did not compromise the models' diagnostic accuracy, with a 0.07% loss in accuracy. Conclusion Our findings demonstrate that HiSAN-generated embeddings from SEER data can be used effectively in cancer site classification without significant demographic bias influencing the outcomes. Post-training pruning therefore functions as a practical audit and sensitivity check.

Shivanna, Abhishek [ORNL] (ORCID:0009000665228593)↗

NASA NTRS2015

NASA Child Fitness Promotion Program in Young Children in South Korea

Childhood obesity is a serious global public health concern (WHO, 2015; Wang Y & Lobstein T, 2006). Low self-esteem and related mental health problems are common in obese children (Strauss RS, 2000) as well as poor academic performance and career development (Gurley-Calvez T, 2010).Westernized dietary habits and sedentary lifestyles are identified as the major risk factors of current alarming rate of obesity along with genetic susceptibility (Popkin BM, 1999). Children in many countries, including South Korea, have become increasingly sedentary due to urbanization changes in their respective societies (Ng SW, et al. 2009, Salmon J et al. 2011). In particular, South Korea had abundant dissemination of mobile technology, such as tablet and smart phone devices. Children have become reliant on mobile devices and are less likely to perform physical activities (Do, et al, 2013). Effective and sustainable intervention programs are needed to fight the global obesity epidemic (IOM, 2012; Wang Y et al, 2013; Wang Y et al, 2015). Previous studies suggested focus on prevention strategies that begin in early childhood, a period when children establish their life habits. (Salmon J et al. 2011). Recent systematic reviews and meta-analysis including ours found that obesity prevention programs for young children have a greater intervention effect (Waters E, et al, 2011; Wang Y et al, 2013; Wang Y et al, 2015). The NASA Mission X: Train Like an Astronaut (MX) program was developed to promote children's exercise and healthy eating with excitement for training like an astronaut (Lloyd C, 2012).At present, the NASA MX Program covered 28 countries, enrolled children through their teachers in school setting (MX report 2014, 2015). This pilot study adapted the NASA MX intervention program for young children in South Korea. We assessed its feasibility and effectiveness in promoting physical activity (PA) in children and in improving parents' perspectives. We also examined the status of PA in young children. More than 80% of five-year-old children go to a Kindergarten or day care center in South Korea (MH Suh et al, 2013).Thus, reaching young children through child care and education settings could be a good approach for early childhood obesity prevention.

Min, Jungwon↗

DOE OSTI2024

Design and Development of Stable Nanocrystalline High‐Entropy Alloy: Coupling Self‐Stabilization and Solute Grain Boundary Segregation Effects

Abstract Grain growth is prevalent in nanocrystalline (NC) materials at low homologous temperatures. Solute element addition is used to offset excess energy that drives coarsening at grain boundaries (GBs), albeit mostly for simple binary alloys. This thermodynamic approach is considered complicated in multi‐component alloy systems due to complex pairwise interactions among alloying elements. Guided by empirical and GB‐segregation enthalpy considerations for binary‐alloy systems, a novel alloy design strategy, the “ pseudo‐binary thermodynamic ” approach, for stabilizing NC‐high entropy alloys (HEAs) and other multi‐component‐alloy variants is proposed. Using Al 25 Co 25 Cr 25 Fe 25 as a model‐HEA to validate this approach, Zr, Sc, and Hf, are identified as the preferred solutes that would segregate to HEA‐GBs to stabilize it against growth. Using Zr, NC‐Al 25 Co 25 Cr 25 Fe 25 HEAs with minor additions of Zr are synthesized, followed by annealing up to 1123 K. Using advanced characterization techniques— in situ X‐ray diffraction (XRD), scanning/transmission electron microscopy (S/TEM), and atom probe tomography, nanograin stability due to coupling self‐stabilization and solute‐GB segregation effects is reported in HEAs up to substantially high temperatures. The self‐stabilization effect originates from the preferential GB‐segregation of constituent HEA‐elements that stabilizes NC‐Al 25 Co 25 Cr 25 Fe 25 up to 0.5 T m ( T m –melting temperature). Meanwhile, solute‐GB segregation originates from Zr segregation to NC‐Al 25 Co 25 Cr 25 Fe 25 GBs; this results in further stabilization of the phase and grain‐size (≈14 nm) up to ≈0.58 and ≈0.64 T m , respectively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Evaluating Cryo–TEM Reconstruction Accuracy of Self–Assembled Polymer Nanostructures

Cryogenic transmission electron microscopy (cryo–TEM) combined with single particle analysis (SPA) is an emerging imaging approach for soft materials. However, the accuracy of SPA–reconstructed nanostructures, particularly those formed by synthetic polymers, remains uncertain due to potential packing heterogeneity of the nanostructures. In this study, the combination of molecular dynamics (MD) simulations and image simulations is utilized to validate the accuracy of cryo–TEM 3D reconstructions of self–assembled polypeptoid fibril nanostructures. Using CryoSPARC software, image simulations, 2D classifications, ab initio reconstructions, and homogenous refinements are performed. By comparing the results with atomic models, the recovery of molecular details is assessed, heterogeneous structures are identified, and the influence of extraction location on the reconstructions is evaluated. In conclusion, these findings confirm the fidelity of single particle analysis in accurately resolving complex structural characteristics and heterogeneous structures, exhibiting its potential as a valuable tool for detailed structural analysis of synthetic polymers and soft materials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Embedded Sensors in Additively Manufactured Silicon Carbide

Silicon carbide (SiC) components are being considered for a wide range of nuclear applications due to their high-temperature strength retention, low neutron absorption, chemical inertness, and dimensional stability under neutron irradiation. However, machining and joining of SiC components have traditionally limited its application to relatively simple geometries. Recent work has demonstrated additive manufacturing of complex, high-purity, crystalline SiC components using a combination of binder jet printing and densification via chemical vapor infiltration (CVI). The process lends itself to embedding of fuel, absorbers, moderators, and sensors at strategic locations within a component. The latter could allow for enhanced in situ performance monitoring of limiting fuel temperatures, self-shielded neutron flux, and potentially spatially distributed strain within complex SiC components if sensors can be successfully embedded during CVI. This work describes (1) methods for embedding sensors; (2) thermodynamic analyses and material compatibility testing for identifying sensors capable of surviving high temperatures and exposure to hydrogen and hydrogen chloride during CVI; and (3) nuclear applications for embedded sensors, including potential failure modes during fabrication and during reactor operation. Molybdenum-sheathed thermocouples were successfully embedded in a complex SiC component, whereas niobium-sheathed high-temperature irradiation-resistant thermocouples started to drift as soon as the reactant gases were introduced and ultimately failed during CVI due to severe constrained expansion, potentially resulting from niobium hydride formation in the low-temperature region of the CVI system. Optical fibers were successfully embedded in SiC, but further work is needed to protect the fragile fiber leads after their protective coatings are removed during CVI.

thermocouples↗

DOE OSTI2021

Current status of anaerobic digestion of food waste in the United States

Utilization of food waste (FW) and food processing waste streams in waste-to-energy technologies has increased over the years in United States (US). This review paper compiled information from published literature and open data sources to obtain a holistic view of the current state of FW availability and its management using anaerobic digestion (AD). The review examined the usage of FW as a feedstock for AD by considering the feedstock composition and availability of FW in the US as well as challenges and opportunities with implementing FW in mono- and co-digestion. Also presented are global trends in FW digestion and the current status of FW codigestion in the US. FW in the US was characterized with regard to volume and composition to show a need for waste management and an opportunity for valuable resource recovery. Challenges and opportunities of processing via AcoD were presented to review best practices for successful operations. Environmental standards, economic incentives, and governmental policies in the US and around the world regarding waste management and utilization were discussed to identify barriers and sources of opportunity for large-scale implementation of AcoD. Additionally, a range of facilities throughout the US was examined for information regarding digestion type, feedstock (s), biogas production and utilization, and energy self-sufficiency to better understand the current status of FW digestion. Several US facilities were outlined as case studies that co-digest FW and produce and utilize biogas for various applications. Future strategies, perspectives, and roadmaps were discussed to elucidate the shaping of future FW management practices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

A Post-translational Histidine–Histidine Cross-Link Enhances Enzymatic Oxygen Reduction Activity with Greater pH Adaptability

Cross-linked protein residues exist as enzyme cofactors to enable or enhance catalytic activities. Despite their importance in nature, the chemical identity of the cross-links is limited to certain amino acid combinations, whose function and the formation mechanism remain insufficiently understood due to the difficulty in isolating native enzymes without the cross-links. Herein, we report the formation and characterization of both His-Tyr and His-His cross-links under oxidative enzymatic turnover conditions in L29H/F33Y/F43H Mb, a structural and functional model of heme-copper oxidase (HCO). The connectivity of the cross-link was characterized as Ne ε2 (His29)-Cd δ2 (His43) by mass spectrometry (LC-MS/MS) and nuclear magnetic resonance (NMR). Interestingly, formation of the cross-link significantly enhances the oxygen reduction activity of the enzyme at neutral or basic pH with higher product specificity. X-ray crystallography has identified a novel Tyr-His cross-link through a Tyr-O-His linkage. Our mechanistic studies indicate the involvement of high-valent heme-iron and the neighboring tyrosine in an oxidative self-processing pathway to generate the cross-link. In conclusion, this work serves as a new example while providing insights into the enzyme cross-link formation, allowing the design of artificial biocatalysts containing these novel cross-links with higher activity and pH adaptability.

Liu, Yiwei [Univ. of Texas, Austin, TX (United Sta↗