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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Optimal spectral resolution for solids and liquids using FT and other infrared spectrometers: How much resolution do you really need?

In this study we investigate the possibility of using spectral resolutions for infrared measurements of solids and liquids that are not powers of two, e.g. are not at 1, 2, 4, 8, or 16 cm-1 resolution. In almost all reported literature of the last fifty years the resolution used to record for a Fourier transform infrared spectrum has been a power of two. This stems from the fact that 1) the Cooley-Tukey algorithm used to compute such a transform was constructed to use only powers of two and was also driven by 2) the fact that the computing horsepower required to compute the Fourier transform increases as N?log?_2 (N), where N is the number of points in the interferogram (spectrum). For typical spectra, however, the CPU time is no longer a consideration. Our study is based on both liquid and solid spectra, all of which were recorded at 2 cm-1 resolution. There were at total of 70 solids spectra representing 2,472 spectral peaks and 61 liquids spectra (1,765 spectral peaks), each peak being inspected for being singlet / multiplet in nature. Of the 1,765 liquid bands examined, only 27 had widths less than 5 cm-1. Of the 2,472 solid bands examined, only 39 peaks have widths less than 5 cm-1. For liquids, the mean peak width is 24.7 cm-1 but the median peak width is 13.7 cm-1, and, similarly, for solids, the mean peak width is 22.2 cm-1 but the median peak width is 11.2 cm-1. In both cases, solids and liquids, a skewed peak widths distribution was observed, the peak of the distribution representing narrower bands in the 7 to 9 cm-1 FWHM range but displaying a long tail to the very broad bands, with some displaying spectral widths of 100 cm-1 or more. Because one of the most important criteria for successful instrumental design in IR spectroscopy is the spectral resolution, the data were further analyzed showing that a value to resolve 95% of all bands is 5.7 cm-1 for liquids and 5.3 cm-1 for solids; such a resolution would capture the native linewidth (no instrumental broadening) of 95% of all the solids and liquid bands, respectively. Based on the present results we suggest that, when accounting only for intrinsic linewidths an optimized resolution of 6.0 cm-1 will capture 91% of all condensed-phase bands for IR detection of chemical, mineral, and biological materials.

Forland, Brenda M.↗
DOE OSTI2026

Chasing Gamma-Ray Signals from Binary Neutron Star Coalescences with the Cherenkov Telescope Array: Prospects and Observing Strategies

The detection of gravitational waves (GWs) from a binary neutron star (BNS) merger by Advanced LIGO and Advanced Virgo (GW170817), together with its electromagnetic counterpart, the short gamma-ray burst GRB 170817A, heralded the birth of multimessenger astronomy. The detection of TeV emission from GRBs motivates follow-up observations with the Cherenkov Telescope Array Observatory (CTAO), which is ideal for detecting such signals due to its unprecedented sensitivity, rapid response, and wide-field survey capabilities. The aim of this work is to evaluate GeV–TeV GW follow-up strategies for CTAO using a multistep simulation pipeline and to estimate the expected rate of joint GW–GRB detections during observing run O5. Using a simulated sample of BNS systems with corresponding GW detections, gamma-ray emission is simulated through phenomenological prescriptions based on the observed population of short GRBs, including off-axis jet scenarios. CTAO observations are simulated to account for instrument response, sky tiling strategies, integration times, and varying observing conditions. Strategies with variable and constant integration times are investigated. We find that, via an optimized follow-up strategy, about 5% of simulated GW-associated short GRBs produce GeV–TeV radiation detectable by CTAO. Detectability is strongly influenced by the jet opening angle and viewing angle, suggesting that even rough estimates of the viewing angle in GW alerts could enhance targeting. This framework motivates future follow-ups of GW-detectable events, including neutron star–black hole mergers, and further supports the development of advanced strategies incorporating galaxy distributions and synergies with future detectors such as the Einstein Telescope.

Abe, S. [University of Tokyo] (ORCID:0000000172503↗
DOE OSTI2024

In-flight performance of S PIDER'S 280-GHz receivers

S PIDER is a balloon-borne instrument designed to map the cosmic microwave background at degree-angular scales in the presence of Galactic foregrounds. S PIDER has mapped a large sky area in the Southern Hemisphere using more than 2000 transition-edge sensors (TESs) during two NASA Long Duration Balloon flights above the Antarctic continent. During its first flight in January 2015, S PIDER observed in the 95 GHz and 150 GHz frequency bands, setting constraints on the B-mode signature of primordial gravitational waves. Its second flight in the 2022-23 season added new receivers at 280 GHz, each using an array of TESs coupled to the sky through feedhorns formed from stacks of silicon wafers. Here, these receivers are optimized to produce deep maps of polarized Galactic dust emission over a large sky area, providing a unique data set with lasting value to the field. In this work, we describe the instrument’s performance during S PIDER'S second flight.

280 GHz cosmology↗
DOE OSTI2025

Reward based optimization of resonance-enhanced piezoresponse spectroscopy

Dynamic spectroscopies in scanning probe microscopy (SPM) are critical for probing material properties, such as force interactions, mechanical properties, polarization switching, electrochemical reactions, and ionic dynamics. However, the practical implementation of these measurements is constrained by the need to balance imaging time and data quality. Signal to noise requirements favor long acquisition times and high frequencies to improve signal fidelity. However, these are limited on the low end by contact resonant frequency and photodiode sensitivity and on the high end by the time needed to acquire high-resolution spectra or the propensity for sample degradation under high field excitation over long times. The interdependence of key parameters such as instrument settings, acquisition times, and sampling rates makes manual tuning labor-intensive and highly dependent on user expertise, often yielding operator-dependent results. These limitations are prominent in techniques like dual amplitude resonance tracking in piezoresponse force microscopy that utilize multiple concurrent feedback loops for topography and resonance frequency tracking. Here, a reward-driven workflow is proposed that automates the tuning process, adapting experimental conditions in real time to optimize data quality. Furthermore, this approach significantly reduces the complexity and time required for manual adjustments and can be extended to other SPM spectroscopic methods, enhancing overall efficiency and reproducibility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Optimizing the Heisenberg Vortex Tube for Hydrogen Cooling (Final Technical Report)

Hydrogen utilization at Plug Power sites ranges between 70-93% with the remainder vented and lost to the atmosphere. The goal of this project was to improve hydrogen utilization at Plug Power fulfillment centers via the patented Heisenberg vortex tube (HVT). The HVT combines conventional counterflow vortex tubes with para-orthohydrogen conversion catalyst to allow the cooling of hydrogen flows with no moving parts or external energy inputs. In year 1 of this project the HVT was evaluated to improve hydrogen utilization via the following concepts: 1) increasing liquid hydrogen pump volumetric efficiency by 20% through vapor separation and subcooling of the liquid, 2) reducing liquid hydrogen storage tank boil-off losses by 20% through thermal vapor shielding (TVS), and 3) increase isentropic efficiency of supercritical hydrogen expansion at 40-50 K, from 31% to over 40%. The TVS concept was selected as the most favorable application for further development. While the conceptual analysis was underway, the cryocatalysis hydrogen experiment facility (CHEF) was retrofitted with a new cryocooler, higher pressure condenser tanks, and in-situ fiber-optic Raman probes for ortho-parahydrogen composition analysis at the inlets and outlets of the HVT. To our knowledge this is the first in-situ implementation of cryogenic Raman probes for ortho-parahydrogen analysis. Subsequent testing of catalyzed and non-catalyzed HVT identified a low flow rate, high-conversion efficacy regime well suited for TVS development. Computational fluid dynamics (CFD), Reduced order modeling (ROM), and quantum Monte Carlo atomistic simulations were applied to optimize the design of the HVT implemented for TVS. The simulations and analysis identified a ruthenium-based catalyst as the most optimal for high conversion with little pressure losses and was matched to experimental measurements. These results indicated the design could achieve the 20% boil-off reduction target. An HVT field-trial was designed and constructed by Plug Power and implemented at a customer site. However, budget limitations reduced the amount of catalyst that could be applied to the HVT. With the reduced amount of catalyst, CFD analysis estimated about 3% reduction in boil-off. A similar amount of boil-off reduction was observed during preliminary measurements during tank commissioning. However, the results have a large margin for error and were operated at relatively low tank temperatures when the HVT has the lowest potential for improvement. This project demonstrated the use of para-orthohydrogen catalysis for reducing liquid hydrogen tank boil-off losses. The field trial system is anticipated to provide long-term experimental measurements on tank operational performance that will allow Plug Power to instrument additional tanks in the future. Recommendations for future work include the development of higher activity, lower cost para-orthohydrogen conversion catalyst for use in the HVT. Tank process optimizations could maximize the efficacy of the HVT and further improve hydrogen utilization.

08 HYDROGEN↗
DOE OSTI2025

Design and Optimization of the IMAGINE-X Diffractometer at NB1

An upgraded protein crystal diffractometer with Dynamic Nuclear Polarization (DNP) is proposed for installation during the next HFIR Beryllium Reflector Replacement. The diffractometer will replace the IMAGINE protein crystal diffraction instrument currently located at CG4D. The simulation design meets the needs as requested in the science requirements document.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

DRiFT Current Mode, Trigger Settings and Flexible Detector Specifications Applied to Scintillator Arrays

MCNP radiation transport output is post-processed by DRiFT, a Detector Response Function Toolkit to simulate detailed nuclear instrumentation response. DRiFT can be used to assess the performance and potential limitations of scintillator, gas, and semiconductor detectors under a variety of simulated conditions not easily achievable in a laboratory setting. This work describes new updates in DRiFT for scintillator simulations which focus on the capability to simulate scintillators in current mode, an expansion of trigger options, and the ability to customize individual detector properties in a simulation. These improvements are designed to facilitate the ability to model large arrays of scintillator detectors with higher fidelity than was previously possible and are demonstrated in three examples. The first shows the difference between operating DRiFT in current and pulse mode. In the second example, which is intended to demonstrate deviations in individual detector performance, each detector has properties (PMT gain, optical transport, scintillation yield, etc.) that vary between detectors and are specified in DRiFT. A final example examines how DRiFT could be used to optimize digitizer settings in high rate measurements with split signals using the new common trigger option.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

High-Power Targetry for Muon Production

The production of high-intensity muon beams is crucial for advancing particle and accelerator physics, both now and in the future. Achieving these high-intensity goals requires overcoming significant challenges in high-power targetry. Here, we will outline the key challenges and explore the selection of target materials, focusing on muon production and susceptibility to radiation damage -- key factors for optimal target designs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Smokeless Chimney using Smoke Opacity as a Combustion Control Parameter (CRADA Final Report)

If operated poorly, wood burning heaters can produce large amounts of particulate matter (PM). Although several instruments are available to monitor PM, most require dilution air and are unable to sample directly from a flue due to the high PM concentrations and temperatures. Opacity sensors can measure color, opacity and smoke density from wood heater stacks. They operate by transmitting a light beam through the emission source and measuring the amount of light intensity lost (opacity) and light not reflected (color). Although opacity sensors are used in several areas, none have been thoroughly evaluated or optimized for measuring smoke from wood heaters.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

A convergence metric for counting statistics in time-resolved small angle neutron scattering

Here, this work introduces a model-independent, dimensionless metric for predicting optimal measurement duration in time-resolved small-angle neutron scattering using early-time data. Built on a Gaussian process regression framework, the method reconstructs scattering profiles with quantified uncertainty, even from sparse or noisy measurements. Demonstrated on the EQ-SANS instrument at the Spallation Neutron Source, the approach generalizes to general SANS instruments with a two-dimensional detector. A key result is the discovery of a dimensionless convergence metric revealing a universal power-law scaling in profile evolution across soft matter systems. When time is normalized by a system-specific characteristic time t*, the variation in inferred profiles collapses onto a single curve with an exponent between −2 and −1. This trend emerges within the first ten time steps, enabling early prediction of measurement sufficiency. The method supports real-time experimental optimization and is especially valuable for maximizing efficiency in low-flux environments such as compact accelerator-based neutron sources.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2024

A Cohesive Deep Drilling Field Strategy for LSST Cosmology

The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) will image billions of astronomical objects in the wide–fast–deep primary survey and in a set of minisurveys including intensive observations of a group of deep drilling fields (DDFs). The DDFs are a critical piece of three key aspects of the LSST Dark Energy Science Collaboration (DESC) cosmological measurements: they provide a required calibration for photometric redshifts (photo- z ) and weak gravitational lensing (WL) measurements and they directly contribute to cosmological constraints from the most distant Type Ia supernovae (SNe Ia). We present a set of cohesive DDF strategies fulfilling science requirements relevant to DESC and following the guidelines of the Survey Cadence Optimization Committee. We propose a method to estimate the observing strategy parameters and we perform simulations of the corresponding surveys. We define a set of metrics for each science case to assess the performance of the proposed observing strategies. We show that the most promising results are achieved with deep rolling surveys characterized by two sets of fields: ultradeep fields ( z ≲ 1.1) observed at a high cadence with a large number of visits over a limited number of seasons, and deep fields ( z ≲ 0.7), observed with a cadence of ~3 nights for 10 yr. These encouraging results should be confirmed with realistic simulations using the LSST scheduler. A DDF budget of ~8.5% is required to design observing strategies satisfying all the cosmological requirements. A lower DDF budget leads to surveys that either do not fulfill the photo- z /WL requirements or are not optimal for SN Ia cosmology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

High-count-rate effects in event processing for the XRISM/Resolve X-ray microcalorimeter. II. Energy scale and resolution in orbit

The Resolve instrument on the X-ray Imaging and Spectroscopy Mission (XRISM) uses a 36 pixel microcalorimeter designed to deliver high-resolution, non-dispersive X-ray spectroscopy. Although it is optimized for extended sources with low count rates, Resolve observations of bright point sources are still able to provide unique insights into the physics of these objects, as long as high-count-rate effects are addressed in the analysis. These effects include the loss of exposure time for each pixel, changes in the energy scale, and changes in the energy resolution. To investigate these effects under realistic observational conditions, we observed the bright X-ray source, the Crab Nebula, with XRISM at several offset positions with respect to the Resolve field of view and with continuous illumination from 55 Fe sources on the filter wheel. For the spectral analysis, we excluded data where exposure-time loss was too significant to ensure reliable spectral statistics. The energy scale at 6 keV shows a slight negative shift in the high-count-rate regime. The energy resolution at 6 keV worsens as the count rate in electrically neighboring pixels increases, but can be restored by applying a nearest-neighbor coincidence cut (“cross-talk cut”). We examined how these effects influence the observation of bright point sources, using GX 13+1 as a test case, and identified an eV-scale energy offset at 6 keV between the inner (brighter) and outer (fainter) pixels. Users who seek to analyze velocity structures on the order of tens of km s–1 should account for such high-count-rate effects. These findings will aid in the interpretation of Resolve data from bright sources and provide valuable considerations for designing and planning for future microcalorimeter missions.

X-rays: general↗
DOE OSTI2025

Modular Processing of Flare Gas for Carbon Nanoproducts

This project demonstrated the technical viability and economic promise of a modular system for converting flared natural gas into valuable carbon nanoproducts (CNPs) through catalytic chemical vapor deposition (CVD). All major project milestones were successfully completed, including reactor design and commissioning, catalyst development, process optimization, technoeconomic analysis, and application testing in concrete systems. The overarching goal was to create a scalable, field-deployable process that valorizes stranded methane by producing high-value carbon materials for use in cementitious composites. At the lab scale, the team designed and built a fluidized bed reactor optimized for use with silica fume-supported nickel catalysts synthesized via atomic layer deposition (ALD). A statistically designed sintering study enabled precise tuning of nickel nanoparticle size, identifying the influence of oxygen partial pressure, time, and temperature on catalyst morphology and performance. These insights allowed the team to target catalyst conditions that maximize carbon nanofilament growth. Subsequent CVD experiments achieved up to 31.8 wt% carbon deposition under optimized conditions, with TEM confirming the presence of nanofilament structures and sustained hydrogen evolution during reaction. Reactor upgrades and empirical fluidization studies supported the development of reliable, repeatable experimental protocols. The modular pilot-scale skid reactor was fully constructed, instrumented, and commissioned. Capable of operating at 675–800°C and pressures up to 290 psig, the system was designed for continuous operation at a carbon production rate of 1 kg/hr. Initial demonstration runs confirmed solids handling, thermal control, and system leak-tightness, although a critical reactor component (the downfeed tube) was inadvertently omitted during final assembly. This omission limited gas–solid contact and prevented meaningful carbon deposition during pilot-scale CVD runs. Nonetheless, the system operated safely under design conditions, and the root cause of performance limitations was clearly identified. Complementary work on UHPC formulations demonstrated that small additions of carbon nanoproducts, including those derived from flare gas, can significantly enhance mechanical performance while preserving workability. A comprehensive study of CNF dispersion techniques and mix design optimization led to a clear protocol for integrating these nanomaterials into concrete. Incorporation of CNPs improved flexural toughness and reduced porosity, supporting their use in high-performance infrastructure applications. A technoeconomic analysis (TEA) confirmed that this process can produce CNP-loaded catalyst material at a levelized cost below $\$$7/kg across a range of catalyst loadings and reaction yields. With estimated market values for the carbon composite product ranging from $\$$14 to over $\$$60/kg, and the ability to blend CNPs into concrete at sub-percent levels with less than 10% added cost, the system presents a compelling economic case. While additional engineering work is needed to optimize fluidization and heat transfer at scale, this project establishes a strong foundation for commercial development. The process is not only technically sound but also economically promising, representing a viable pathway for flare gas mitigation through modular carbon nanomaterial production.

03 NATURAL GAS↗
DOE OSTI2026

MAS-CCD: New technique for measuring low-level charge content based on the multiple amplifier architecture

Low-noise detectors are a key technology for the next generation of astronomical instruments aimed at spectroscopy of faint objects and the search for exoplanets. In this context, the multiple-amplifier sensing charge-coupled device (MAS-CCD) emerges as a promising technology for future scientific instruments. A critical parameter affecting the performance of these devices is spurious charge, produced by the clocking of the gates. Its measurement is typically challenging with existing methods. In practice, the optimization of this parameter often relies on empirical procedures that require significant time and careful consideration of the trade-off with full-well capacity. In this work, we present a new technique to estimate spurious charge based on covariance analysis of the output amplifiers of the MAS-CCD, which measures the same charge packet in different amplifiers at different times. The method enables fast and precise measurements of spurious charge under operating conditions where conventional approaches are difficult to apply. We develop the theoretical framework of the method and validate the model through simulations. The results demonstrate the feasibility of this approach and suggest that it could serve as a basis for reliable large-scale characterization of sensor performance.

Gamero, Miqueas E. [Buenos Aires, CONICET; Fermila↗
DOE OSTI2024

Reductive Analysis with Compiler-Guided Large Language Models for Input-Centric Code Optimizations

Input-centric program optimization aims to optimize code by considering the relations between program inputs and program behaviors. Despite its promise, a long-standing barrier for its adoption is the difficulty of automatically identifying critical features of complex inputs. This paper introduces a novel technique, reductive analysis through compiler-guided Large Language Models (LLMs), to solve the problem through a synergy between compilers and LLMs. It uses a reductive approach to overcome the scalability and other limitations of LLMs in program code analysis. The solution, for the first time, automates the identification of critical input features without heavy instrumentation or profiling, cutting the time needed for input identification by 44× (or 450× for local LLMs), reduced from 9.6 hours to 13 minutes (with remote LLMs) or 77 seconds (with local LLMs) on average, making input characterization possible to be integrated into the workflow of program compilations. Optimizations on those identified input features show similar or even better results than those identified by previous profiling-based methods, leading to optimizations that yield 92.6% accuracy in selecting the appropriate adaptive OpenMP parallelization decisions, and 20-30% performance improvement of serverless computing while reducing resource usage by 50-60%.

Input-Centric Optimization↗
DOE OSTI2024

Parametric optimization of the liquid sampling-atmospheric pressure glow discharge ionization source coupled to an Orbitrap mass spectrometer for neodymium isotope ratio determinations

Isotope ratio determinations are a valuable tool in several application areas. In nuclear forensics, the isotope ratios of uranium and plutonium are commonly used as a signature for the nuclear material's provenance and processing history. However, signatures from other coexisting elements, such as neodymium and samarium, can offer additional insights. Here, the liquid sampling-atmospheric pressure glow discharge (LS-APGD) ionization source coupled to an Orbitrap mass spectrometer (MS) has demonstrated its utility for actinide measurements. This instrumental platform can leverage the high resolution offered by the Orbitrap MS to overcome potential isobaric interferences, such as 144 Nd- 144 Sm, 148 Nd- 148 Sm, and 150 Nd- 150 Sm pairs. The work presented herein demonstrates the rapid, accurate, and precise determination of the isotope ratios for neodymium using the LS-APGD/Orbitrap MS. Both the LS-APGD and Orbitrap MS parameters were optimized systematically, with NdO + found to be the most abundant, most reduced species after applying the optimal collision-induced dissociation modalities. A limit of detection of 3 pg of 142 Nd was achieved when data was acquired and processed using the FTMS Booster, an external data acquisition and processing system offered by Spectroswiss. Excellent accuracy of better than 99 % and precision of <1 % RSD were achieved when a solution of the well-characterized neodymium standard (JNdi-1 standard) was analyzed under the optimized condition, indicating the LS-APGD/Orbitrap's great potential for isotope ratio analysis of Nd and other REEs for diverse applications.

47 OTHER INSTRUMENTATION↗