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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Computational Design of Interlayers for Thermally Stable Compositionally Graded Coatings on Nickel Alloys

To extend the service life of Ni-based superalloys, refractory metal coatings are often used. However, direct bonding between metals with dissimilar crystal structure promotes brittle intermetallic phase formation. This work presents a computational thermodynamic framework for high throughput design of functionally graded interlayers to suppress deleterious phases that may form at the interlayer. The Thermo-Calc software package was used to screen candidate metallic interlayer elements based on stability of solid-solution phases. Vanadium was identified as a promising interlayer due to its consistent suppression of intermetallic phases. Temperature-dependent phase diagram mapping between 600 and 1000 °C guided selection of a compositional pathway that significantly reduced intermetallic formation compared to directly joining the Ni-based and Nb refractory alloys. Time–temperature–transformation analysis was performed to assess whether equilibrium-predicted phases are kinetically accessible along regions of the graded path where non-solid-solution phases are not fully suppressed. The methodology was further applied to additional Ni-based alloy and coating systems, illustrating its transferability as an approach for rapid computational design of graded interlayers in dissimilar high-temperature materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Overcoming Barriers in Electrochemical Toluene Hydrogenation for Efficient Hydrogen Storage by Pt 3 Au Alloy Catalysts

Hydrogen storage and transportation are essential for the hydrogen economy, and liquid organic hydrogen carriers (LOHCs), such as a toluene/methylcyclohexane (TOL/MCH) system, offer significant advantages in terms of safety and efficiency. However, the electrochemical reduction of TOL to MCH (TER) faces challenges from competing with the hydrogen evolution reaction (HER) and catalyst instability. Here, in this study, Pt 3 Au is introduced as a highly effective catalyst for TER. Through density functional theory screening, we identified distinctive properties of Pt 3 Au, including enhanced binding to the TER intermediates and effective HER suppression. Experimental validation confirmed these computational predictions, with Pt 3 Au achieving the highest reported Faradaic efficiency (98%) in proton exchange membrane systems. Moreover, long-term testing demonstrated that Pt 3 Au maintained Faradaic efficiencies of >90% over 9 h, highlighting its robustness and operational stability. By integrating computational modeling and experimental evaluation, this work addresses key limitations in LOHC catalysis. Pt 3 Au establishes a benchmark for selective and stable TER performance, paving the way for advanced hydrogen storage technologies. These findings emphasize the critical role of rational catalyst design in overcoming the challenges associated with scalable and efficient hydrogen storage solutions.

LOHC↗
DOE OSTI2021

Annual Status Report (FY 2020): Performance Assessment for the Environmental Restoration Disposal Facility

DOE O 435.1 and DOE M 435.1-1 require that a determination of continued adequacy of the performance assessment (PA) (CP-60089), composite analysis, and disposal authorization statement (DAS) be made annually, and these guidelines must be used to consider the results of data collection and analysis from research, field studies, and monitoring as well as provide the need to update any radioactive waste management basis documents. Beginning in 1996, the Environmental Restoration Disposal Facility (ERDF) started accepting low-level radioactive, hazardous, and mixed wastes generated during cleanup activities at the Hanford Site. ERDF is composed of a series of cells or disposal areas and can accommodate future design expansions as needed. Currently, there are 10 cells. During this reporting period (fiscal year 2020, which extended from October 1, 2019, through September 30, 2020), approximately 3.39E+04 U.S. tons (3.07E+04 metric tons) of waste was disposed at ERDF. From ERDF inception through September 30, 2020, approximately 18.5 million U.S. tons of waste has been disposed at ERDF, which equates to the consumption of approximately 88% of the disposal volume. As a condition of the DAS, disposal operations within ERDF must be in accordance with the waste acceptance criteria (ERDF-00011) that provide specific radionuclide disposal limits, waste form restrictions, and descriptions of acceptable waste packages in compliance with DOE M 435.1-1 requirements. The ERDF waste acceptance criteria stipulate that waste destined for disposal at ERDF be controlled based on source, physical form, and contaminant concentration and activity levels. There have been no changes to the physical configuration of ERDF or to the waste forms (source, physical form, etc.). No new Unreviewed Disposal Question Screenings or Evaluations have been generated during this reporting period. Therefore, there are no noted impacts to the PA, composite analysis, DAS, or radioactive waste management basis documents resulting from the evaluations and screenings. Sum of fraction analysis shows that the disposed inventory meets both the concentration and inventory threshold requirements. A sum of fractions value is computed for ERDF sensitive radionuclides contributing to the all pathways and air pathway inventory limits. Computed values were 8.85E-02 and 1.78E-01, respectively. The disposed waste inventory remained well under the PA imposed limits. Required monitoring was satisfactorily completed during the fiscal year reporting period (fiscal year 2020). Compliance with performance objectives were met as each of the reported values were well below the established limit. Overall, there are no substantive changes to primary PA assumptions nor changes to the PA analysis conclusion; therefore, compliance with DOE O 435.1 and the DAS is maintained.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Crystal Structure Prediction of Binary Alloys via Deep Potential

Predicting crystal structure has been a challenging problem in physics and materials science for a long time. A reliable energy calculation engine combined with an efficient global search algorithm, such as particle swarm optimization algorithm or genetic algorithm, is needed to conduct crystal structure prediction. In recent years, machine learning-based interatomic potential energy surface models have been proposed, potentially allowing us to perform crystal structure prediction for systems with the accuracy of density functional theory (DFT) and the speed of empirical force fields. In this paper, we employ a previously developed Deep Potential model to predict the intermetallic compound of the aluminum–magnesium system, and find six meta-stable phases with negative or nearly zero formation energy. In particular, Mg 12 Al 8 shows excellent ductility and Mg 5 Al 27 has a high Young's modulus. Based on our benchmark results, we propose a relatively robust structure screening criterion that selects potentially stable structures from the Deep Potential-based convex hull and performs DFT refinement. By using this criterion, the computational cost needed to construct the convex hull with ab initio accuracy can be dramatically reduced.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

PARP Theranostic Auger Emitters Are Cytotoxic in BRCA Mutant Ovarian Cancer and Viable Tumors from Ovarian Cancer Patients Enable Ex-Vivo Screening of Tumor Response

Theranostics are emerging as a pillar of cancer therapy that enable the use of single molecule constructs for diagnostic and therapeutic application. As poly adenosine diphosphate (ADP)-ribose polymerase 1 (PARP-1) is overexpressed in various cancer types, and is localized to the nucleus, PARP-1 can be safely targeted with Auger emitters to induce DNA damage in tumors. Here, we investigated a radioiodinated PARP inhibitor, [125I]KX1, and show drug target specific DNA damage and subsequent killing of BRCA1 and non-BRCA mutant ovarian cancer cells at sub-pharmacological concentrations several orders of magnitude lower than traditional PARP inhibitors. Furthermore, we demonstrated that viable tumor tissue from ovarian cancer patients can be used to screen tumor radiosensitivity ex-vivo, enabling the direct assessment of therapeutic efficacy. Finally, we showed tumors can be imaged by single-photon computed tomography (SPECT) with PARP theranostic, [123I]KX1, in a human ovarian cancer xenograft mouse model. These data support the utility of PARP-1 targeted radiopharmaceutical therapy as a theranostic option for PARP-1 overexpressing ovarian cancers.

BRCA1↗
NASA NTRS1971

Mathematical modeling of high and low temperature heat pipes

Mathematical models are developed for calculating heat-transfer limitations of high-temperature heat pipes and heat-transfer limitations and temperature gradient of low temperature heat pipes. Calculated results are compared with the available experimental data from various sources to increase confidence in the present math models. Complete listings of two computer programs for high- and low-temperature heat pipes respectively are appended. These programs enable the performance of heat pipes with wrapped-screen, rectangular-groove or screen-covered rectangular-groove wick to be predicted.

Chi, S. W.↗
NASA NTRS1976

A physical comparison of a fluoroscopic CAT system and the EMI head scanner

A quantitative comparison of the capabilities to produce computerized tomograms was made between the EMI head scanner and reconstructions from images provided by a large screen low light level-TV camera fluoroscopic system. A phantom made from lucite containing rods of various materials and sizes was used. The computer printout of each was analyzed and a correlation of 0.8 was noted between the results of both systems. The differential attenuation detectability of the fluoroscopic system was found to be comparable to or better than the EMI unit. As expected from a consideration of the quantum statistics for each system, the noise in the obtained reconstructions was also comparable. It is concluded that such a fluoroscopic system performs favorably when compared to the presently available commercial systems.

Baily, N. A.↗
NASA NTRS1981

Some aspects of calculating flows about three-dimensional subsonic inlets

As a consequence of the growing interest in the development of V/STOL aircraft technology, efforts are being made to create new designs for a propulsion system which can be operated over a wide range of flight speeds, incidence angles, and throttle settings. In connection with these efforts, various inlet configurations have been proposed. The high experimental costs incurred in the study of various inlet geometries, led to the employment of a computational method for the investigation of inlets. Attention is given to the computer program, paneling and surface static pressure, surface flow pattern, and the inlet flow field. The reported investigation demonstrates that useful information for initial screenings may be obtained from potential flow calculations.

Kao, H. C.↗
NASA NTRS1984

Statistical mechanics of light elements at high pressure. VI - Liquid-state calculations with Thomas-Fermi-Dirac theory

A model free energy is developed for hydrogen-helium mixtures based on solid-state Thomas-Fermi-Dirac calculations at pressures relevant to the interiors of giant planets. Using a model potential similar to that for a two-component plasma, effective charges for the nuclei (which are in general smaller than the actual charges because of screening effects) are parameterized, being constrained by calculations at a number of densities, compositions, and lattice structures. These model potentials are then used to compute the equilibrium properties of H-He fluids using a charged hard-sphere model. The results find critical temperatures of about 0 K, 500 K, and 1500 K, for pressures of 10, 100, and 1000 Mbar, respectively. These phase separation temperatures are considerably lower (approximately 6,000-10,000 K) than those found from calculations using free electron perturbation theory, and suggest that H-He solutions should be stable against phase separation in the metallic zones of Jupiter and Saturn.

Macfarlane, J. J.↗
NASA NTRS1984

Computer-aided testing of pilot response to critical in-flight events

This research on pilot response to critical in-flight events employs a unique methodology including an interactive computer-aided scenario-testing system. Navigation displays, instrument-panel displays, and assorted textual material are presented on a touch-sensitive CRT screen. Problem diagnosis scenarios, destination-diversion scenarios and combined destination/diagnostic tests are available. A complete time history of all data inquiries and responses is maintained. Sample results of diagnosis scenarios obtained from testing 38 licensed pilots are presented and discussed.

Giffin, W. C.↗
NASA NTRS1993

Newly available technologies present expanding opportunities for scientific and technical information exchange

The potential for expanded communication among researchers, scholars, and students is supported by growth in the capabilities for electronic communication as well as expanding access to various forms of electronic interchange and computing capabilities. Research supported by the National Aeronautics and Space Administration points to a future where workstations with audio and video monitors and screen-sharing protocols are used to support collaborations with colleagues located throughout the world. Instruments and sensors all over the world will produce data streams that will be brought together and analyzed to produce new findings, which in turn can be distributed electronically. New forms of electronic journals will emerge and provide opportunities for researchers and scientists to electronically and interactively exchange information in a wide range of structures and formats. Ultimately, the wide-scale use of these technologies in the dissemination of research results and the stimulation of collegial dialogue will change the way we represent and express our knowledge of the world. A new paradigm will evolve-perhaps a truly worldwide 'invisible college'.

Tolzman, Jean M.↗
NASA NTRS2000

Physics of Hard Spheres Experiment: Significant and Quantitative Findings Made

Direct examination of atomic interactions is difficult. One powerful approach to visualizing atomic interactions is to study near-index-matched colloidal dispersions of microscopic plastic spheres, which can be probed by visible light. Such spheres interact through hydrodynamic and Brownian forces, but they feel no direct force before an infinite repulsion at contact. Through the microgravity flight of the Physics of Hard Spheres Experiment (PHaSE), researchers have sought a more complete understanding of the entropically driven disorder-order transition in hard-sphere colloidal dispersions. The experiment was conceived by Professors Paul M. Chaikin and William B. Russel of Princeton University. Microgravity was required because, on Earth, index-matched colloidal dispersions often cannot be density matched, resulting in significant settling over the crystallization period. This settling makes them a poor model of the equilibrium atomic system, where the effect of gravity is truly negligible. For this purpose, a customized light-scattering instrument was designed, built, and flown by the NASA Glenn Research Center at Lewis Field on the space shuttle (shuttle missions STS 83 and STS 94). This instrument performed both static and dynamic light scattering, with sample oscillation for determining rheological properties. Scattered light from a 532- nm laser was recorded either by a 10-bit charge-coupled discharge (CCD) camera from a concentric screen covering angles of 0 to 60 or by sensitive avalanche photodiode detectors, which convert the photons into binary data from which two correlators compute autocorrelation functions. The sample cell was driven by a direct-current servomotor to allow sinusoidal oscillation for the measurement of rheological properties. Significant microgravity research findings include the observation of beautiful dendritic crystals, the crystallization of a "glassy phase" sample in microgravity that did not crystallize for over 1 year in 1g (Earth's gravity), and the emergence of face-centered-cubic (FCC) crystals late in the coarsening process (as small crystallites lost particles to the slow ripening of large crystallites). Significant quantitative findings from the microgravity experiments have been developed describing complex interactions among crystallites during the growth process, as concentration fields overlap in the surrounding disordered phase. Time-resolved Bragg scattering under microgravity captures one effect of these interactions quite conclusively for the sample at a volume fraction of 0.528. From the earliest time until the sample is almost fully crystalline, the size and overall crystallinity grow monotonically, but the number of crystallites per unit volume (number density) falls. Apparently nucleation is slower than the loss of crystallites because of the transfer of particles from small to large crystals. Thus, coarsening occurs simultaneously with growth, rather than following the completion of nucleation and growth as is generally assumed. In the same sample, an interesting signature appears in the apparent number density of crystallites and the volume fraction within the crystallites shortly before full crystallinity is reached. A brief upturn in both indicates the creation of more domains of the size of the average crystallite simultaneous with the compression of the crystallites. Only the emergence of dendritic arms offers a reasonable explanation. The arms would be "seen" by the light scattering as separate domains whose smaller radii of curvature would compress the interior phase. In fiscal year 1999, numerous papers, a doctoral dissertation, and the PHaSE final report were produced. Although this flight project has been completed, plans are in place for a follow-on colloid experiment by Chaikin and Russel that employs a light microscope within Glenn's Fluids and Combustion Facility on the International Space Station. PHaSE is providing us with a deeper understanding of the nure of phase transitions. The knowledge derived has added to the understanding of condensed matter. In addition, the burgeoning study of the dynamics of colloidal self-assembly may lead to the development of a range of photonic materials that control the desirable properties of light. Thus, applications of ordered colloidal structures include not only ultrastructure ceramics, but also photonic crystals and photothermal nanosecond light-switching devices. Industries dealing with semiconductors, electro-optics, ceramics, and composites stand to benefit from such advancements.

Doherty, Michael P.↗
NASA NTRS2010

Effect of Target Location on Dynamic Visual Acuity During Passive Horizontal Rotation

The vestibulo-ocular reflex (VOR) generates eye rotation to compensate for potential retinal slip in the specific plane of head movement. Dynamic visual acuity (DVA) has been utilized as a functional measure of the VOR. The purpose of this study was to examine changes in accuracy and reaction time when performing a DVA task with targets offset from the plane of rotation, e.g. offset vertically during horizontal rotation. Visual acuity was measured in 12 healthy subjects as they moved a hand-held joystick to indicate the orientation of a computer-generated Landolt C "as quickly and accurately as possible." Acuity thresholds were established with optotypes presented centrally on a wall-mounted LCD screen at 1.3 m distance, first without motion (static condition) and then while oscillating at 0.8 Hz (DVA, peak velocity 60 deg/s). The effect of target location was then measured during horizontal rotation with the optotypes randomly presented in one of nine different locations on the screen (offset up to 10 deg). The optotype size (logMar 0, 0.2 or 0.4, corresponding to Snellen range 20/20 to 20/50) and presentation duration (150, 300 and 450 ms) were counter-balanced across five trials, each utilizing horizontal rotation at 0.8 Hz. Dynamic acuity was reduced relative to static acuity in 7 of 12 subjects by one step size. During the random target trials, both accuracy and reaction time improved proportional to optotype size. Accuracy and reaction time also improved between 150 ms and 300 ms presentation durations. The main finding was that both accuracy and reaction time varied as a function of target location, with greater performance decrements when acquiring vertical targets. We conclude that dynamic visual acuity varies with target location, with acuity optimized for targets in the plane of motion. Both reaction time and accuracy are functionally relevant DVA parameters of VOR function.

Appelbaum, Meghan↗
NASA NTRS1989

Psychology of computer use: IX. A menu of self-administered microcomputer-based neurotoxicology tests

This study examined the feasibility of repeated self-administration of a newly developed battery of mental acuity tests which may have application in screening for fitness-for-duty or for persons who may be exposed to environmental stress, toxic agents, or disease. 16 subjects self-administered 18 microcomputer-based tests (13 new, 5 "core"), without proctors, over 10 sessions. The hardware performed well throughout the study and the tests appeared to be easily self-administered. Stabilities and reliabilities of the tests from the "core" battery were comparable to those obtained previously under more controlled experimental conditions. Eight of the new tests exceeded minimum criteria for metric and practical requirements and can be recommended as additions to the menu. Although the average retest reliability was high, cross-correlations between tests were low, implying factorial diversity. The menu can be used to form batteries with flexible total testing time which are likely to tap different mental processes and functions.

NASA Discipline Neuroscience↗
DOE OSTI2021

Bias free multiobjective active learning for materials design and discovery

The design rules for materials are clear for applications with a single objective. For most applications, however, there are often multiple, sometimes competing objectives where there is no single best material and the design rules change to finding the set of Pareto optimal materials. In this work, we leverage an active learning algorithm that directly uses the Pareto dominance relation to compute the set of Pareto optimal materials with desirable accuracy. We apply our algorithm to de novo polymer design with a prohibitively large search space. Using molecular simulations, we compute key descriptors for dispersant applications and drastically reduce the number of materials that need to be evaluated to reconstruct the Pareto front with a desired confidence. This work showcases how simulation and machine learning techniques can be coupled to discover materials within a design space that would be intractable using conventional screening approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Leveraging Afterglow in Scintillation-based x-ray detectors for spacetime-resolved computed tomography for accelerated acquisition and high-speed event capture

Afterglow in x-ray imaging for high-speed radiography is a constraint that limits imaging systems to low-light/fast decay screens which create poor data. Current approaches focus purely on using low-light yield screens with fast decay to avoid multiple exposure pileup due to afterglow. The goal of this work is to develop a statistical estimation approach to leverage afterglow to improve image quality thus allowing for higher quality imaging components to be used. This will allow for bright screens will slow decay to be used, and then a post-processing step applies the statistical estimation to separate each frame with superior signal compared to low-light/fast decay screens.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2017

Interactive Visualization of High-Dimensional Petascale Ocean Data

We describe an application for interactive visualization of 5 petabytes of time-varying multivariate data from a high-resolution global ocean circulation model. The input data are 10311 hourly (ocean time) time steps of various 2D and 3D fields from a 22-billion point 1/48- degree “lat-lon cap” configuration of the MIT General Circulation Model (MITgcm). We map the global horizontal model domain onto our 128-screen (8x16) tiled display wall to produce a canonical tiling with approximately one MITgcm grid point per display pixel, and using this tiling we encode the entire time series for multiple native and computed scalar quantities at a collection of ocean depths. We reduce disk bandwidth requirements by converting the model’s floating point data to 16-bit fixed point values, and compressing those values with a lossless video encoder, which together allow synchronized playback at 24 time steps per second across all 128 displays. The application allows dynamic assignment of any two encoded tiles to any display, and has multiple interfaces for quickly specifying various orderly arrangements of tiles. All subsequent rendering is done on the fly, with run time control of colormaps, transfer functions, histogram equalization, and labeling. The two data streams on each screen can be rendered independently and combined in various ways, including blending, differencing, horizontal/ vertical wipes, and checkerboarding. The two data streams on any screen can optionally be displayed as a scatterplot in their joint attribute space. All scatterplots and map-view plots from the same x/y location and depth are linked so they all show the current brushable selection. Ocean scientists have used the system, and have found previously unidentified features in the data.

Interactive↗