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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Towards utility-scale electronic structure with sample-based quantum bootstrap embedding

One of the main applications for which quantum computers are hoped to find utility is in simulating ground state energies and other observables of molecular chemical systems. The recently proposed sample-based diagonalization method is a readily implementable method for this task on current-day hardware using short circuit depths and has been demonstrated on as many as 85 qubits in recent studies. In this work, we combine the recently proposed quantum bootstrap embedding (QBE) method with sampled-based diagonalization (QBE-SQD) and present the first benchmarking study of the QBE method on real quantum hardware, ibm_pittsburgh, a Heron r3 processor with 156 qubits. Our test system is a hydrogen ring with 8 hydrogen atoms in the cc-pVDZ basis. We show that for this system, QBE-SQD using an active space of (8e, 19o) per fragment with a 43 qubit footprint produces a ground state energy accuracy which exceeds that of an SQD calculation with an (8e, 30o) active space with a 67 qubit footprint when using a comparable number of Slater determinants. This demonstrates that the use of quantum bootstrap embedding techniques is a promising path towards extending the capabilities of state-of-the-art quantum eigensolvers on near-term devices.

Bierman, Joel [North Carolina State University, Ra↗
DOE OSTI2025

MCCCS-MN

The MCCCS‒MN (Monte Carlo for Complex Chemical Systems‒Minnesota) software is developed by the Siepmann research group at the University of Minnesota. MCCCS‒MN allows for the simulation of multi-component molecular systems in the canonical, isobaric-isothermal (including constant stress for solids), grand-canonical, semi-grand, and Gibbs (NVT, NPT, and more than two simulation boxes) ensembles. It uses the configurational-bias Monte Carlo method to efficiently sample phase space for linear, branched and cyclic chain molecules, the adiabatic nuclear and electronic sampling Monte Carlo method to treat many-body polarization effects, and the aggregation-volume-bias Monte Carlo algorithm to efficiently sample the spatial distribution of associating molecules. MCCCS-MN employs a molecular representation of the system where force fields contain bonded and non-bonded terms. Funding for the development of MCCCS-MN through grants from the National Science Foundation (simulation of fluid phase equilibria and chromatography) and the Department of Energy (simulation of adsorption equilibria) is gratefully acknowledged.

Siepmann, J.Ilja [University of Minnesota - Twin C↗
NASA NTRS1974

Digital redesign of continuous systems by matching of states at multiple sampling periods

This paper presents a method of digital approximation of a continuous-data system by the matching of states at multiple sampling periods. Two alternate methods are presented; one method samples the states every sampling period, and alters the forward and feedback gains, so as to match the states of the two systems at the end of N sampling periods. The second method requires the sampling of the states every N sampling periods, with the change of gains at each sampling period. An illustrative example using the one-axis dynamics of the Skylab Satellite is presented.

Yackel, R. A.↗
DOE OSTI2024

Direct observation of twisted stacking domains in the van der Waals magnet CrI 3

Van der Waals (vdW) stacking is a powerful technique to achieve desired properties in condensed matter systems through layer-by-layer crystal engineering. A remarkable example is the control over the twist angle between artificially-stacked vdW crystals, enabling the realization of unconventional phenomena in moiré structures ranging from superconductivity to strongly correlated magnetism. Here, we report the appearance of unusual 120° twisted faults in vdW magnet CrI 3 crystals. In exfoliated samples, we observe vertical twisted domains with a thickness below 10 nm. The size and distribution of twisted domains strongly depend on the sample preparation methods, with as-synthesized unexfoliated samples showing tenfold thicker domains than exfoliated samples. Cooling induces changes in the relative populations among different twisting domains, rather than the previously assumed structural phase transition to the rhombohedral stacking. The stacking disorder induced by sample fabrication processes may explain the unresolved thickness-dependent magnetic coupling observed in CrI 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

Prototype development and test results of a continuous ambient air monitoring system for hydrazine at the 10 ppb level

A Hydrazine Vapor Area Monitor (HVAM) system is currently being field tested as a detector for the presence of hydrazine in ambient air. The MDA/Polymetron Hydrazine Analyzer has been incorporated within the HVAM system as the core detector. This analyzer is a three-electrode liquid analyzer typically used in boiler feed water applications. The HVAM system incorporates a dual-phase sample collection/transport method which simultaneously pulls ambient air samples containing hydrazine and a very dilute sulfuric acid solution (0.0001 M) down a length of 1/4 inch outside diameter (OD) tubing from a remote site to the analyzer. The hydrazine-laden dilute acid stream is separated from the air and the pH is adjusted by addition of a dilute caustic solution to a pH greater than 10.2 prior to analysis. Both the dilute acid and caustic used by the HVAM are continuously generated during system operation on an "as needed" basis by mixing a metered amount of concentrated acid/base with dilution water. All of the waste water generated by the analyzer is purified for reuse by Barnstead ion-exchange cartridges so that the entire system minimizes the generation of waste materials. The pumping of all liquid streams and mixing of the caustic solution and dilution water with the incoming sample are done by a single pump motor fitted with the appropriate mix of peristaltic pump heads. The signal to noise (S/N) ratio of the analyzer has been enhanced by adding a stirrer in the MDA liquid cell to provide mixing normally generated by the high liquid flow rate designed by the manufacturer. An onboard microprocessor continuously monitors liquid levels, sample vacuum, and liquid leak sensors, as well as handles communications and other system functions (such as shut down should system malfunctions or errors occur). The overall system response of the HVAM can be automatically checked at regular intervals by measuring the analyzer response to a metered amount of calibration standard injected into the dilute acid stream. The HVAM system provides two measurement ranges (threshold limit value (TLV): 10 to 1000 parts per billion (ppb)/LEAK: 100 ppb to 10 parts per million (ppm)). The LEAK range is created by dilution of the sulfuric acid/hydrazine liquid sample with pure water. This dual range capability permits the analyzer to quantify ambient air samples whose hydrazine concentrations range from 10 ppb to as high as 10 ppm. The laboratory and field prototypes have demonstrated total system response times on the order of 10 to 12 minutes for samples ranging from 10 to 900 ppb in the lLV mode and is greater than 2 minutes for samples ranging from 100 to 1300 ppb in the LEAK mode. Service intervals of over 3 months have been demonstrated for continuous 24 hour/day, 7 day/week usage. The HVAM is made up of a purged cabinet that contains power supplies, RS422 signal transmission capabilities, a UPS, an on-site warning system, and a Line Replaceable Unit (LRU). The LRU includes all of the liquid flow system, the analyzer, the control/data system microprocessor and assorted flow and liquid-level sensors. The LRU is mounted on a track slide system so it can be serviced inplace or totally removed and quickly exchanged with another calibrated unit, thus minimizing analyzer downtime. Once an LRU is removed from an analyzer enclosure, it can be brought to a laboratory facility for complete calibration and periodic maintenance.

Meneghelli, Barry↗
NASA NTRS2013

Application of Advanced Nondestructive Evaluation Techniques for Cylindrical Composite Test Samples

Two nondestructive methods were applied to composite cylinder samples pressurized to failure in order to determine manufacturing quality and monitor damage progression under load. A unique computed tomography (CT) image processing methodology developed at NASA Glenn Research was used to assess the condition of the as-received samples while acoustic emission (AE) monitoring was used to identify both the extent and location of damage within the samples up to failure. Results show the effectiveness of both of these methods in identifying potentially critical fabrication issues and their resulting impact on performance.

Martin, Richard E.↗
NASA NTRS1994

Heat-Pulse Measurements Reveal Fiber Volume Fractions

Measurements of thermal diffusivities by heat-pulse method constitutes basis of noncontact, nondestructive method of determining fiber volume fractions (FVFs) of samples of composite (matrix/fiber) materials. Modulated radiant heat applied to sample, while resulting modulated infrared emitted is monitored. Phase shift between two modulations indicative of thermal diffusivity and fiber volume fraction of sample. Testing method takes less time, provides data to characterize sample through its thickness, and amenable to scanning for global determination of gradual spatial variations in FVF along sample.

Winfree, William P.↗
DOE OSTI2025

Sparge Sampling of Molten Salts for Online Monitoring via Laser-Induced Breakdown Spectroscopy

A method was developed to sample molten salts by sparging to generate and transport aerosols to an isolated instrument for compositional analysis by laser-induced breakdown spectroscopy (LIBS). Real-time monitoring of molten salt composition is critical to developing molten salt nuclear reactors, which offer enhanced safety and efficiency. In this article, the sparge sampling method is described and compared with sampling using a Collison nebulizer. The size distribution and transport of aerosols produced from molten eutectic NaNO 3 –KNO 3 salt were compared for multiple gas flow rates (75–1200 mL min –1 ) and transport distances (0.68–2.61 m). Both methods produced aerosols ranging from 0.5 to 5.0 μm determined using a cascade impactor. Aerosols were effectively transported without pre- or trace-heating of gas lines, but transport efficiency was reduced by the formation of agglomerates. Sparge sampling was found to use less sample and less gas than a Collison nebulizer while producing a more concentrated aerosol stream (up to 5 μg L –1 ). The effects of laser energy and delay time on the signal quality of LIBS measurements of these aerosols were also studied. High energy and short delay times were found to enhance signal and repeatability, whereas signal-to-background and signal-to-noise ratios were highest at low energy and longer delay times. The capabilities of this system for online monitoring of molten salts were demonstrated with calibrations for Sr and Li with relative standard deviations of 2.6% and 1.5% and limits of detection of 380 and 180 μg g –1 , respectively.

Aerosols↗
NASA NTRS2004

The History of Presolar Grains

Below we summarize the results of our investigations into the history of presolar grains that were conducted in the last year. During this time we have expended much of our effort in the development of experimental techniques and sample preparation methods that are needed to laboratory in December, 2000. Specific information on this instrument is contained in the Full Proposal of PI Ernst Zinner and will not be repeated here. Our general strategy in the past year has been in large measure to explore novel sample handling methods for the very small (sub-micron), but more representative, presolar grains that can now be characterized isotopically in the NanoSIMS. We have developed experimental techniques that will permit NanoSIMS analyses of the very same ultramicrotome sections studied in the TEM, and we have developed grain dispersion, handling and mounting techniques that permit NanoSIMS isotopic analysis as well as field emission SEM, high energy TEM, and atomic force microscopy of pristine presolar grains. Although much of this has been slow and very difficult work that has no immediate payoff in terms of publishable results, we considered it absolutely necessary groundwork for future discoveries, especially in the realm of individual presolar grains that have been inaccessible to past studies due to size constraints. As discussed below, we have been largely successful in these endeavors, and expect to reap the benefits of this work in the next year. We also report on our continued morphologic studies of pristine presolar grains, on our investigations of presolar graphite grains from supernovae as well as on rarer types of presotar SIC, on the search for presolar silicates, and on our efforts to obtain direct size-distribution information on presolar SiC through X-ray mapping techniques.

Bernatowicz, Thomas J.↗
NASA NTRS1990

A novel sample-positioning system for microgravity application

This paper proposes a novel method for sample positioning in containerless processing at microgravity, using a system based on pulsed lasers. The method has two attributes. First, by generating beams that cancel out vectorially, the suspended material can be heated without being accelerated, a feature that can be used in melting and heat-treatment applications. Second, the specimen can be positioned within a fairly large work space. It is emphasized that this method can service a regime unfulfilled by the other levitation methods, such as electromagnetic levitation, active magnetic suspension, acoustic levitation, of electrostatic suspension.

Sridharan, G.↗
NASA NTRS1983

Statistical theory for estimating sampling errors of regional radiation averages based on satellite measurements

The processes which determine the weather and climate are driven by the radiation received by the earth and the radiation subsequently emitted. A knowledge of the absorbed and emitted components of radiation is thus fundamental for the study of these processes. In connection with the desire to improve the quality of long-range forecasting, NASA is developing the Earth Radiation Budget Experiment (ERBE), consisting of a three-channel scanning radiometer and a package of nonscanning radiometers. A set of these instruments is to be flown on both the NOAA-F and NOAA-G spacecraft, in sun-synchronous orbits, and on an Earth Radiation Budget Satellite. The purpose of the scanning radiometer is to obtain measurements from which the average reflected solar radiant exitance and the average earth-emitted radiant exitance at a reference level can be established. The estimate of regional average exitance obtained will not exactly equal the true value of the regional average exitance, but will differ due to spatial sampling. A method is presented for evaluating this spatial sampling error.

Smith, G. L.↗
NASA NTRS2015

Curation and Analysis of Samples from Comet Wild-2 Returned by NASA's Stardust Mission

The NASA Stardust mission returned the first direct samples of a cometary coma from comet 81P/Wild‐2 in 2006. Intact capture of samples encountered at 6 km/s was enabled by the use of aerogel, an ultralow dense silica polymer. Approximately 1000 particles were captured, with micron and submicron materials distributed along ~mm scale length tracks. This sample collection method and the fine scale of the samples posed new challenges to the curation and cosmochemistry communities. Sample curation involved extensive, detailed photo‐documentation and delicate micro‐surgery to remove particles without loss from the aerogel tracks. This work had to be performed in highly clean facility to minimize the potential of contamination. JSC Curation provided samples ranging from entire tracks to micrometer‐sized particles to external investigators. From the analysis perspective, distinguishing cometary materials from aerogel and identifying the potential alteration from the capture process were essential. Here, transmission electron microscopy (TEM) proved to be the key technique that would make this possible. Based on TEM work by ourselves and others, a variety of surprising findings were reported, such as the observation of high temperature phases resembling those found in meteorites, rarely intact presolar grains and scarce organic grains and submicrometer silicates. An important lesson from this experience is that curation and analysis teams must work closely together to understand the requirements and challenges of each task. The Stardust Mission also has laid important foundation to future sample returns including OSIRIS‐REx and Hayabusa II and future cometary nucleus sample return missions.

Nakamura-Messenger, Keiko↗
DOE OSTI2025

Selection of Sampling and Surrogate Modeling Methods for State-Point Evaluations of an AGN-201M Reactor

Nuclear reactor digital twins (DTs) have been proposed for use as a safeguards technology to efficiently monitor new and novel reactors as they come online. A safeguards DT needs to be capable of detecting misuse and diversion as they occur, requiring physics models to be accurate and efficient. Mathematical surrogate models are capable of achieving the necessary efficiency and can largely maintain the accuracy of higher-order models given a quality training sample. The Multiphysics Object-Oriented Simulation Environment (MOOSE) code framework is specifically equipped to generate training samples and create surrogate models using full-order reactor physics models. Utilizing an operational AGN-201M reactor’s specifications, two surrogate types were trained on samples of variable size, and using Cartesian products, Latin hypercube sampling, and quadrature sampling, each was compared and evaluated on accuracy when compared to a full-order Monte Carlo model. Both surrogate types were able to capture reactivity changes within 0.05 $ of the Monte Carlo model while reducing the computation costs by eight orders of magnitude.

MOOSE↗
NASA NTRS1980

A spectral method for determining the percentage of green herbage material in clipped samples

A laboratory radiometric method for the rapid determination of green and brown vegetation percentages in clipped grass samples has been developed and tested. The method uses red and photographic infrared radiance or reflectance differences between green and brown vegetation. Mixtures of green and brown material were found to have radiances or reflectances proportional to the percentage of green material present. This method may permit the use of rapid green/brown radiometric determinations to replace the tedious hand sorting now generally used. It may also have application in remote sensing of vegetation ground-truth work where the determination of dry green biomass in clipped samples is necessary.

Tucker, C. J.↗
NASA NTRS1993

Computational methods for efficient structural reliability and reliability sensitivity analysis

This paper presents recent developments in efficient structural reliability analysis methods. The paper proposes an efficient, adaptive importance sampling (AIS) method that can be used to compute reliability and reliability sensitivities. The AIS approach uses a sampling density that is proportional to the joint PDF of the random variables. Starting from an initial approximate failure domain, sampling proceeds adaptively and incrementally with the goal of reaching a sampling domain that is slightly greater than the failure domain to minimize over-sampling in the safe region. Several reliability sensitivity coefficients are proposed that can be computed directly and easily from the above AIS-based failure points. These probability sensitivities can be used for identifying key random variables and for adjusting design to achieve reliability-based objectives. The proposed AIS methodology is demonstrated using a turbine blade reliability analysis problem.

Wu, Y.-T.↗
NASA NTRS1977

A spectral method for determining the percentage of live herbage material in clipped samples

A laboratory spectroradiometric method for the rapid determination of live/dead vegetation percentages from clipped grass samples has been developed and preliminarily tested. The method utilizes the red and photographic infrared reflectance or radiance differences between green vegetation and that of dead vegetation. Mixtures of green and dead material were found to have reflectances or radiances proportional to the percentage of green material present. This method offers the possibility that rapid live/dead spectroradiometric determinations may replace the tedious hand-sorting now generally in use for many situations.

Tucker, C. J.↗
NASA NTRS2019

Mars Sample Return orbital rendezvous detection methods

Navigation trades while in pursuit of a rendezvous with a sample capsule in orbit around Mars are described. The rendezvous operation is described in terms of far-field and near-field detection. Passive optical detection is compared with active capsule detection using a radio beacon. Passive methods are, to first order, unconstrained by time while a radio beacon link is time-limited. A possible activity to make use of orbiter plume interactions is explored.

Gustafson, Eric D.↗