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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Recombination rate analysis in long minority carrier lifetime mid-wave infrared InGaAs/InAsSb superlattices

Gallium is incorporated into the strain-balanced In(Ga)As/InAsSb superlattice system to achieve the same mid-wave infrared cutoff tunability as conventional Ga-free InAs/InAsSb type-II superlattices, but with an additional degree of design freedom to enable optimization of absorption and transport properties. Time-resolved photoluminescence measurements of InGaAs/InAsSb superlattice characterization- and doped device structures are reported from 77 to 300 K and compared to InAs/InAsSb. The low-injection photoluminescence decay yields the minority carrier lifetime, which is analyzed with a recombination rate model, enabling the determination of the temperature-dependent Shockley–Read–Hall, radiative, and Auger recombination lifetimes and extraction of defect energy levels and capture cross section defect concentration products. The Shockley–Read–Hall-limited lifetime of undoped InGaAs/InAsSb is marginally reduced from 2.3 to 1.4 μs due to the inclusion of Ga; however, given that Ga improves the vertical hole mobility by a factor of >10×, a diffusion-limited InGaAs/InAsSb superlattice nBn could expect a lower bound of 2.5× improvement in diffusion length with significant impact on photodetector quantum efficiency and radiation hardness. At temperatures below 120 K, the doped device structures are Shockley–Read–Hall limited at 0.5 μs, which shows promise for detector applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Designing a boron nitride polyethylene composite for shielding neutrons

Neutrons are encountered in many different fields, including condensed matter physics, space exploration, nuclear power, and healthcare. Neutrons interacting with a biological target produce secondary charged particles that are damaging to human health. The most effective way to shield neutrons is to slow them to thermal energies and then capture the thermalized neutrons. These factors lead us to consider potential materials solutions for neutron shields that maximize the protection of humans while minimizing the shield mass and adapt well to modern additive manufacturing techniques. Using hexagonal boron nitride (hBN) as a capture medium and high-density polyethylene (HDPE) as a thermalization medium, we aim to design the optimal internal structure of h 10 BN/HDPE composites by minimizing the effective dose, which is a measure of the estimated radiation damage exposure for a human. Through Monte Carlo simulations in Geant4, we find that the optimal structure reduces the effective dose up to a factor of 72 over aluminum (Al) and up to a factor of 4 over HDPE; this is a significant improvement in shielding effectiveness that could dramatically reduce the radiation exposure of occupational workers.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ab initio calculation of atomic solid hydrogen phases based on Gutzwiller many-body wave functions

We apply two ab initio many-body methods based on Gutzwiller wave functions, i.e., correlation matrix renormalization theory (CMRT) and Gutzwiller conjugate gradient minimization (GCGM), to the study of crystalline phases of atomic hydrogen. Both methods avoid empirical Hubbard U parameters and are free from double-counting issues. CMRT employs a Gutzwiller-type approximation that enables efficient calculations, while GCGM goes beyond this approximation to achieve higher accuracy at higher computational cost. By benchmarking against available quantum Monte Carlo (QMC) results, we demonstrate that while both methods are more accurate than the widely used density-functional theory, GCGM systematically captures additional correlation energy missing in CMRT, leading to significantly improved total energy predictions. We also show that by including the correlation energy Ec from local density approximation in the CMRT calculation, CMRT + E c produces energy in better agreement with the QMC results in these hydrogen lattice systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dark Matter halo parameters from overheated exoplanets via Bayesian hierarchical inference

Dark Matter (DM) can become captured, deposit annihilation energy, and hence increase the heat flow in exoplanets and brown dwarfs. Detecting such a DM-induced heating in a population of exoplanets in the inner kpc of the Milky Way thus provides potential sensitivity to the galactic DM halo parameters. We develop a Bayesian Hierarchical Model to investigate the feasibility of DM discovery with exoplanets and examine future prospects to recover the spatial distribution of DM in the Milky Way. We reconstruct from mock exoplanet datasets observable parameters such as exoplanet age, temperature, mass, and location, together with DM halo parameters, for representative choices of measurement uncertainty and the number of exoplanets detected. We find that detection of O(100) exoplanets in the inner Galaxy can yield quantitative information on the galactic DM density profile, under the assumption of 10% measurement uncertainty. Even as few as O(10) exoplanets can deliver meaningful sensitivities if the DM density and inner slope are sufficiently large.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Designing monitoring networks for local earthquakes

Abstract Seismic networks are essential for monitoring local earthquakes in connection to industrial activities, including wastewater injection and CO2 sequestration. Because these networks are typically deployed for short periods of time at specific sites, it is beneficial to develop best practices for efficient and effective installation and monitoring. Such standards are available for regional earthquake and microseismic monitoring, but not readily available for local scale (tens of kilometer scale) monitoring. Once the region of interest has been determined, the key parameters for establishing a network are available monitoring station locations, site noise, and site utility. Networks should be designed based on the project monitoring goals for earthquake magnitude and density. Herein, a network was established at the Patterson and Hartland Oil Fields in western Kansas in association with a US Department of Energy CarbonSAFE carbon capture and sequestration research project. We employed observations from an analog local network, the Wellington Earthquake Monitoring Network in south-central Kansas, to assess site noise and estimate earthquake detection thresholds for the Patterson and Hartland fields. Noise from oil production facilities was evaluated, concluding that oil lease sites are suitable for monitoring small local earthquakes (M1-M3). The network was designed to have a magnitude of completeness of M1 while using station locations on existing field operator leases. Fifteen months of continuous network operation demonstrates reliable and efficient local earthquake monitoring and provides best practices recommendations for similar operations.

58 GEOSCIENCES↗
DOE OSTI2025

Low Carbon Inducible2/Fatty Acid Desaturase4 locus in C. reinhardtii directs plastid peroxidase location and trans fatty acid production

Light capture and photosynthetic energy conversion depend on photosynthetic complexes that are embedded within lipid membranes. Components of these complexes are vulnerable to damage by reactive oxygen species, byproducts of photosynthesis that accumulate under environmental stress. Here we explore the basis for a lipid-based sensing mechanism allowing plants or algae to assess and respond to damage to the photosynthetic membranes. In Chlamydomonas reinhardtii, Low Carbon Inducible2 (LCI2) and Fatty Acid Desaturase4 (FAD4) are two proteins derived from the same locus by a differential splicing event, sharing an N-terminus encoded by the first two exons. FAD4 produces a 16-carbon, trans double bond-containing fatty acid found exclusively in phosphatidylglycerol of chloroplast membranes, while LCI2 recruits peroxidase activity to the membrane. The unique organization and transcriptional regulation of the LCI2/FAD4 locus represents a regulatory interface that allows cells to initiate the biosynthesis of a fatty acid unique to the photosynthetic membranes while also linking it to the production of an enzyme involved in the mitigation of reactive oxygen species.

Nicodemus, Timothy J [Michigan State University, E↗
DOE OSTI2025

Electronic effects in radiation-induced collision cascades in nickel

The accurate treatment of electronic effects in multi-million-atom simulations of radiation-induced collision cascades is crucial for reliable predictions of primary radiation damage. In this work, we explore the fidelity of a recently developed two-temperature molecular dynamics model implementing an electron density-dependent coupling of electronic and atomic subsystems for cascade simulations in nickel. We show that the parameter-free model realistically captures the instantaneous energy losses during all stages of the highly nonequilibrium cascade process. Our simulations predict two distinct coupling regimes, corresponding to the rapid energy losses through electronic stopping in the early stages of the cascade and to the slow equilibration through the electron-phonon coupling mechanism in the later stages, without the use of separate models or coupling terms. The intermediate stage of the cascade dynamics displays a complex energy transfer between the subsystems, which cannot be interpreted by comparison to either electronic stopping or electron-phonon coupling theories. We therefore compare the predicted atomic mixing, which is sensitive to the energy losses during the intermediate cascade stage, with experimental ion beam mixing measurements. We find good agreement with the experiments, validating the coupling model for the intermediate stage of the cascade. Predictions of final defect numbers and cluster sizes are found in line with the results from conventional electronic stopping-based methods, while significantly reducing the theoretical uncertainty in the outcomes of conventional models stemming from arbitrary choices of thresholds for different coupling terms. Our results represent a notable improvement in cascade damage predictions in nickel, providing validation of the electron density-dependent coupling model for radiation damage simulations in general. The results lead us to propose an interpretation of the electronic energy losses in the intermediate regime of velocities, where we find an effectively nonlinear dissipation.

Crystal defects↗
DOE OSTI2024

Time Slicing of Neutrino Fluxes in Oscillation Experiments at Fermilab

Long and short baseline neutrino oscillation experiments, such as DUNE, SBND, demand high precision in reducing systematic errors, particularly those related to neutrino-nucleus interaction cross-sections. The stroboscopic approach offers a method to capture distinct neutrino energy spectra, aiding in the separation of flux and cross-section uncertainties. This report outlines the creation of short proton bunch lengths and the transport of a narrow beam down the Booster Neutrino Beamline, essential steps for the successful implementation of the stroboscopic approach.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Modeling and simulation of multiphase flows

Multiphase flow can be found in a wide range of natural and industrial systems, such as sediment flow in rivers and coasts to pipeline transport, and reactors of all types. Computational fluid dynamics (CFD) modeling provides a rigorous physics-based method to visualize and quantify these flows and to assess their influence on their surroundings. This presentation will highlight computational research on two varied technologies in the energy sector: carbon capture and wellbore acoustics.

acoustic analysis↗
DOE OSTI2025

Autonomous Synthesis of Metastable Materials Using a Modular Mixed-Flow Reactor

Understanding and controlling atomic-level processes at solid-liquid interfaces is key to advancing technologies in energy storage, carbon capture, critical element recovery, and materials synthesis. Many of these processes are dominated by the formation of short-lived intermediate precipitates that determine the final properties of synthesized materials. However, studying these intermediates is challenging due to their sensitivity and the reliance on trial-and-error methods. To address this, we developed an automated variable-volume mixed-flow reactor (MFR) to optimize metastable material synthesis and investigate rapid kinetic processes. This state-of-the-art MFR system, paired with an automated modeling framework, enables efficient synthesis and real-time analysis of transient phases. Benchmarking with advanced capabilities, such as wide-/small-angle X-ray scattering, allows us to resolve fast nucleation and growth dynamics that were previously inaccessible. By combining automation, ML-guided optimization, and tailored kinetic modeling, this approach provides a robust platform for improving material design and achieving precise control over solid-liquid reactions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

DICOMs, Missiles, and Metadata: The U.S. Nuclear Weapons Program Leverages a Medical Standard

Digital Imagine and Communications in Medicine (DICOM) images, although most commonly used in medical settings, have been widely adopted by the United States Department of Energy (DOE) for capturing images of the internal components in a nuclear weapon. DICOMs, a lesser-known file format that combine nested metadata structures with complex image data-including multiple planes, frames, and high resolution-require the creation of access copies to support usability within the DOE. Used primarily for ensuring the safety, security, and reliability of the U.S. nuclear stockpile, the Los Alamos National Laboratory (LANL)’s DICOM images and corresponding image metadata must be accessible to scientists and researchers via our institutional centralized databases. This paper describes the author's creation of a Python script that converts DICOM images into accessible, archive-friendly TIFF files while preserving key image data and metadata.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Particle Size Distribution and Its Impacts on Ash Deposition and Radiative Transfer during Oxy-Combustion of Rice Husk–Natural Gas

Rice husk (RH) co-combustion with natural gas in highly oxygen-enriched concentrations presents a net carbon-negative energy production opportunity while minimizing flue gas recycling. However, recent experiments have shown enhanced ash deposition rates in oxygen-enriched conditions, with deposition/shedding also being dependent on the particle size distribution (PSD) of the parent RH fuel. To uncover the causative mechanisms behind these observations, add-on models for ash deposition/shedding and radiative properties were employed in computational fluid dynamics simulations. The combustion scenarios investigated encompassed two types of RH (US RH, Chinese RH) with widely varying ash contents (by % mass) and inlet fuel PSD with air and O2/CO2 (70/30 vol %, OXY70) as oxidizers. Utilizing the measured fly-ash PSDs near the deposit surface and modeling the particle viscosity accurately, particle kinetic-energy (PKE)-based capture and shedding criteria were identified as the keys to accurate deposition/shedding rate predictions. The OXY70 scenarios showed higher ash-capturing propensities due to their lower PKE. Conversely, higher erosion rates were predicted in the AIR firing scenarios. In addition, the radiative characteristics across all the scenarios were dominated by the gases and were not sensitive to the fly-ash PSD. Therefore, the higher particle concentrations in the OXY70 conditions did not negatively impact the heat extraction.

Krishnamoorthy, Gautham (ORCID:0000000255205092)↗
NASA NTRS1982

Wingtip-Vortex Turbine Lowers Aircraft Drag

Turbine captures some of energy lost in aircraft wingtip vortexes. Wing-tip vortex turbine operates in crossflow of the lift-induced vortex; i.e., flow not parallel to the flightpath. Each turbine blade generates a force as a result of angle of attack between blade and nonstreamwise local flow. Turbine converts lost vortex energy to rotational energy and reduces induced drag.

Patterson, J. C. J.↗
NASA NTRS1983

Dissociative recombination of O2(+), NO(+) and N2(+)

A new L(2) approach for the calculation of the threshold molecular capture width needed for the determination of DR cross sections was developed. The widths are calculated with Fermi's golden rule by substituting Rydberg orbitals for the free electron continuum coulomb orbital. It is shown that the calculated width converges exponentially as the effective principal quantum number of the Rydberg orbital increases. The threshold capture width is then easily obtained. Since atmospheric recombination involves very low energy electrons, the threshold capture widths are essential to the calculation of DR cross sections for the atmospheric species studied here. The approach described makes use of bound state computer codes already in use. A program that collects width matrix elements over CI wavefunctions for the initial and final states is described.

Guberman, S. L.↗
NASA NTRS1989

Spline function approximation for velocimeter Doppler frequency measurement

A spline function approximation approach for measuring the Doppler spectral peak frequency in a laser Doppler velocimeter system is presented. The processor is designed for signal bursts with mean Doppler shift frequencies up to 100 MHz, input turbulence up to 20 percent, and photon counts as low as 300. The frequency-domain processor uses a bank of digital bandpass filters for the capture of the energy spectrum of each signal burst. The average values of the filter output energies, as a function of normalized frequency, are modeled as deterministic spline functions which are linearly weighted to evaluate the spectral peak location associated with the Doppler shift. The weighting coefficients are chosen to minimize the mean square error. Performance evaluation by simulation yields average errors in estimating mean Doppler frequencies within 0.5 percent for poor signal-to-noise conditions associated with a low photon count of 300 photons/burst.

Savakis, Andreas E.↗
NASA NTRS1991

Numerical performance estimates for a generic hypersonic forebody

The computation of a hypersonic flow past the forebody of a hypersonic vehicle is analyzed for two sets of flow conditions: the first represents flow conditions of an experimental test of the model in the Calspan 96-inch shock tunnel, and the second set is chosen to represent actual flight conditions. Solutions are derived for sharp- and blunt-nose versions of the geometry in order to understand the effects of the entropy layer on the forebody pressure and heat transfer rates. Some sensitivity of predicted heating rates to grid refinement is observed, but it is found to be small compared to the effects of bluntness. Real-gas effects are studied for the blunt-nose version at flight-like conditions, and these effects are found to have a significant effect on inlet-face performance measures such as mass capture and kinetic energy efficiency.

Lawrence, Scott L.↗
NASA NTRS1992

A model for the trap-assisted tunneling mechanism in diffused n-p and implanted n(+)-p HgCdTe photodiodes

A theoretical model for the trap-assisted tunneling process in diffused n-on-p and implanted n(+)-on-p HgCdTe photodiodes is presented. The model describes the traps and the trap characteristics: concentration, energy level, and capture cross sections. We have observed that the above two types of diodes differ in the voltage dependence of the trap-assisted tunneling current and dynamic resistance. Our model takes this difference into account and offers an explanation of the phenomenon. The good fit between measured and calculated DC characteristics of the photodiodes (for medium and high reverse bias and for temperatures from 65 to 140 K) supports the validity of the model.

Rosenfeld, David↗
NASA NTRS1992

A model for the trap-assisted tunneling mechanism in diffused n-p and implanted n(+)-p HgCdTe photodiodes

This paper presents a theoretical model for the trap-assisted tunneling process in diffused n-on-p and implanted n(+)-on-p HgCdTe photodiodes. The model describes the connection between the leakage current associated with the traps and the trap characteristics: concentration, energy level, and capture cross sections. It is observed that the above two types of diodes differ the voltage dependence of the trap-assisted tunneling current and dynamic resistance. The model takes this difference into account and offers an explanation of the phenomenon. The good fit between measured and calculated dc characteristics of the photodiodes supports the validity of the model.

Rosenfeld, David↗