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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Orbiter thermal pressure drop characteristics for shuttle orbiter thermal protection system components: High density tile, low density tile, densified low density tile, and strain isolation pad

Pressure drop tests were conducted on available samples of low and high density tile, densified low density tile, and strain isolation pads. The results are presented in terms of pressure drop, material thickness and volume flow rate. Although the test apparatus was only capable of a small part of the range of conditions to be encountered in a Shuttle Orbiter flight, the data serve to determine the type of flow characteristics to be expected for each material type tested; the measured quantities also should serve as input for initial venting and flow through analysis.

Lawing, P. L.↗
DOE OSTI2026

Data for Propagation Method and Planting Density Influence Canopy Developmental Transition and Biomass Productivity in Miscanthus × giganteus

Understanding how establishment practices influence the mechanisms underlying Miscanthus × giganteus (miscanthus) productivity and canopy development is critical for optimizing management. Data was collected during the juvenile (2011–2013) and mature (2024) phases of a long-term field experiment established in Urbana, Illinois, to evaluate the effects of propagation method (plug propagation [PP] and rhizome propagation [RP]), planting density (1.0, 0.75, and 0.25 plants m⁻²), and nitrogen application (0 and 67 kg N ha⁻¹) on end-of-season biomass yield, tiller mass, tiller density, and tiller height. Linear regression models identified the dominant predictors of yield across stand ages and management regimes. Planting density, nitrogen (N) application, and propagation method significantly influenced early yield and canopy development. During the juvenile phase, biomass yield was driven by tiller density due to canopy expansion; in the mature phase, yield became driven by tiller mass. The PP plots produced higher tiller density than the RP plots, resulting in faster canopy closure and higher juvenile-phase yields. Rhizome-propagated (RP) plots produced lower tiller density, but individual tillers were 3.3–6.4 g tiller−1 heavier than PP tillers. After the canopy reached equilibrium, the PP and RP yields were similar because greater RP tiller mass compensated for its lower tiller density. Higher planting density resulted in greater yield and tiller density during the second year (2012), but this effect was absent from the third year (2013) onward. In the juvenile phase, N fertilization enhanced yield by 1.6–3.4 Mg ha−1. Initiating fertilization in 2013 on unfertilized plots produced biomass similar to that in fertilized plots, suggesting yield recovery in the mature phase. These findings revealed that establishment strategies, including propagation method and planting density, influence juvenile miscanthus canopy development and productivity, transitioning from tiller-density- to mass-dominated yields, but not mature phase productivity.

Miscanthus↗
DOE OSTI2026

Using Density-Corrected DFT to Understand Density-Driven and Functional-Dependent Errors in Ab Initio Simulations of the Hydrated Electron

The hydrated electron, an excess electron in liquid water, plays a crucial role in a plethora of chemical processes, motivating extensive research efforts to characterize its structure, dynamics, and reactivity in solution. Recent theoretical approaches to understanding this intriguing object have involved ab initio simulations based on density functional theory (DFT). Although DFT allows for the study of hydrated electron reactivity and quantum mechanical behavior, it is well-known that anionic systems can suffer from significant density-driven errors (DDEs). Density-corrected DFT (DC-DFT) provides a framework to mitigate such errors; the method reduces DDEs by replacing the self-consistent (SC) density associated with a given density functional with the Hartree–Fock (HF) density. Since HF densities tend to be more localized than DFT SC densities, the DC-DFT scheme significantly improves errors in calculations where the SC density is spuriously delocalized. Here, we investigate how the use of density correction affects the calculated properties of the DFT-simulated (PBEh) hydrated electron, a particularly challenging diffuse anionic system to simulate. First, we analyze charge delocalization in a system consisting of a model octahedral hydrated electron water cluster (the so-called Kevan structure) along with a spatially separated sulfur atom. We show that the use of density correction indeed reduces DDEs in comparison to a standard DFT global hybrid functional. We then propagate molecular dynamics trajectories of the hydrated electron using DC-DFT, where we find that DC further localizes electron density in the cavity region, a signature of reduced charge delocalization. Unfortunately, the decreased radius of gyration of the spin density and corresponding tightening of the local solvation structure from density correction causes predicted observables to deviate further from experimental measurements than when density correction is not employed. Here, we argue that DC’s worse agreement with experiment results from the removal of a fortuitous cancellation of errors that is intrinsic to the PBEh functional. This indicates that the difficulties with DFT to simulate hydrated electrons are primarily due to the inherent approximations in DFT rather than to density-driven errors.

Density functional theory↗
NASA NTRS2001

Instability Analysis of a Low-Density Gas Jet Injected into a High-Density Gas

The objective of this study was to determine the effects of buoyancy on the absolute instability of low-density gas jets injected into high-density gas mediums. Most of the existing analyses of low-density gas jets injected into a high-density ambient have been carried out neglecting effects of gravity. In order to investigate the influence of gravity on the near-injector development of the flow, a linear temporal stability analysis and a spatio-temporal stability analysis of a low-density round jet injected into a high-density ambient gas were performed. The flow was assumed to be isothermal and locally parallel; viscous and diffusive effects were ignored. The variables were represented as the sum of the mean value and a normal-mode small disturbance. An ordinary differential equation governing the amplitude of the pressure disturbance was derived. The velocity and density profiles in the shear layer, and the Froude number (signifying the effects of gravity) were the three important parameters in this equation. Together with the boundary conditions, an eigenvalue problem was formulated. Assuming that the velocity and density profiles in the shear layer to be represented by hyperbolic tangent functions, the eigenvalue problem was solved for various values of Froude number. The temporal growth rates and the phase velocity of the disturbances were obtained. It was found that the presence of variable density within the shear layer resulted in an increase in the temporal amplification rate of the disturbances and an increase in the range of unstable frequencies, accompanied by a reduction in the phase velocities of the disturbances. Also, the temporal growth rates of the disturbances were increased as the Froude number was reduced (i.e. gravitational effects increased), indicating the destabilizing role played by gravity. The spatio-temporal stability analysis was performed to determine the nature of the absolute instability of the jet. The roles of the density ratio, Froude number, Schmidt number, and the lateral shift between the density and velocity profiles on the jet s absolute instability were determined. Comparisons of the results with previous experimental studies show good agreement when the effects of these variables are combined together. Thus, the combination of these variables determines how absolutely unstable the jet will be. Experiments were carried out to observe the qualitative differences between a round low-density gas jet injected into a high-density gas (helium jet injected into air) and a round constant density jet (air jet injected into air). Flow visualizations and velocity measurements in the near-injector region of the helium jet show more mixing and spreading of the helium jet than the air jet. The vortex structures develop and contribute to the jet spreading causing the helium jet to oscillate.

Lawson, Anthony Layiwola↗
NASA NTRS2005

Linear Stability Analysis of Gravitational Effects on a Low-Density Gas Jet Injected into a High-Density Medium

The objective of this study was to determine the effects of buoyancy on the absolute instability of low-density gas jets injected into high-density gas mediums. Most of the existing analyses of low-density gas jets injected into a high-density ambient have been carried out neglecting effects of gravity. In order to investigate the influence of gravity on the near-injector development of the flow, a spatio-temporal stability analysis of a low-density round jet injected into a high-density ambient gas was performed. The flow was assumed to be isothermal and locally parallel; viscous and diffusive effects were ignored. The variables were represented as the sum of the mean value and a normal-mode small disturbance. An ordinary differential equation governing the amplitude of the pressure disturbance was derived. The velocity and density profiles in the shear layer, and the Froude number (signifying the effects of gravity) were the three important parameters in this equation. Together with the boundary conditions, an eigenvalue problem was formulated. Assuming that the velocity and density profiles in the shear layer to be represented by hyperbolic tangent functions, the eigenvalue problem was solved for various values of Froude number. The Briggs-Bers criterion was combined with the spatio-temporal stability analysis to determine the nature of the absolute instability of the jet whether absolutely or convectively unstable. The roles of the density ratio, Froude number, Schmidt number, and the lateral shift between the density and velocity profiles on the absolute instability of the jet were determined. Comparisons of the results with previous experimental studies show good agreement when the effects of these variables are combined together. Thus, the combination of these variables determines how absolutely unstable the jet will be.

Lawson, Anthony L.↗
DOE OSTI2025

Excited-State Densities from Time-Dependent Density Functional Response Theory

While the variational principle for excited-state energies leads to a route to obtaining excited-state densities from time-dependent density functional theory, relatively little attention has been paid to the quality of the resulting densities in real space obtained with different exchange-correlation functional approximations or how nonadiabatic approximations developed for energies of states of double-excitation character perform for their densities. Here we derive an expression directly in real space for the excited-state density, which includes the case of nonadiabatic kernels and consequently is able, for the first time, to yield densities of states of double-excitation character. Under some well-defined simplifications, we compare the performance of the local-density approximation and exact-exchange approximation, which are in a sense at the opposite extremes of the fundamental functional approximations, on local and charge-transfer excitations in one-dimensional model systems and show that the dressed Time-Dependent Density Functional Theory (TDDFT) approach gives good densities of double excitations.

approximation↗
NASA NTRS2003

Effects of Mean Flow Profiles on Instability of a Low-Density Gas Jet Injected into a High-Density Gas

The objective of this study was to investigate the effects of the mean flow profiles on the instability characteristics in the near-injector region of low-density gas jets injected into high-density ambient gas mediums. To achieve this, a linear temporal stability analysis and a spatio-temporal stability analysis of a low-density round gas jet injected vertically upwards into a high-density ambient gas were performed by assuming three different sets of mean velocity and density profiles. The flow was assumed to be isothermal and locally parallel. Viscous and diffusive effects were ignored. The mean flow parameters were represented as the sum of the mean value and a small normal-mode fluctuation. A second order differential equation governing the pressure disturbance amplitude was derived from the basic conservation equations. The first set of mean velocity and density profiles assumed were those used by Monkewitz and Sohn for investigating absolute instability in hot jets. The second set of velocity and density profiles assumed for this study were the ones used by Lawson. And the third set of mean profiles included a parabolic velocity profile and a hyperbolic tangent density profile. The effects of the inhomogeneous shear layer and the Froude number (signifying the effects of gravity) on the temporal and spatio-temporal results for each set of mean profiles were delineated. Additional information is included in the original extended abstract.

Vedantam, Nanda Kishore↗
DOE OSTI2026

Power Electronic Development Challenges for High Power Density Integrated Electric Drive Applications

The ever-increasing demand for compact, efficient, and high-performance traction drive systems for transportation applications has accelerated the development of integrated electric drives. In these systems, the electric machine and inverter are integrated within a single housing, offering significant advantages in electrical performance, volume, weight, cost, and overall system efficiency. Despite these benefits, such high levels of integration introduce a new set of challenges, particularly in power electronic design and component selection. This article presents an in-depth investigation of a highly integrated electric drive architecture with an internal stator-mounted inverter, highlighting key design considerations and trade-offs aimed exclusively at maximizing system power density.Based on a comprehensive review of the literature, the power density of a voltage-source-inverter-driven electric drive is primarily governed by the volumetric contributions of the power modules, heat sinks, and DC-link capacitors. Accordingly, this work focuses on the optimization of these three critical components to enhance the inverter's overall power density. The proposed design achieves a power density of 100 kW/L, demonstrating the effectiveness of the presented approach for next-generation integrated electric drive systems.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1972

Neutral density measurements near 400 kilometers by a microphone density gage on Ogo 6 during July 12-15, 1969.

Analysis of persistent density peaks (maxima) measured near 400 km during daytime (1425 LT) by a microphone density gauge on Ogo 6 during July 12 to 15, 1969. Most of the density peaks occurred between geomagnetic latitudes 50 and 61 N and L values 2.3 and 4.7. The average density change in the peaks was 27%. Most of the peaks appeared in the longitude sector from 150 to 350 E. No density peaks were measured in the 50 to 130 E sector during the 3-1/2 day observation period. A persistent pair of density peaks was present on seven successive orbits during July 13 and July 14 (both geomagnetically disturbed days) near geomagnetic latitudes 53 and 61 N, respectively.

Anderson, A. D.↗
NASA NTRS2004

Effects of Mean Flow Profiles on the Instability of a Low-Density Gas Jet Injected into a High-Density Gas

The effects of the mean velocity profiles on the instability characteristics in the near-injector region of axisymmetric low density gas jets injected vertically upwards into a high-density gas medium were investigated using linear inviscid stability analysis. The flow was assumed to be isothermal and locally parallel. Three velocity profiles, signifying different changes in the mean velocity in the shear layer, were used in the analysis. The effects of the inhomogeneous shear layer and the Froude number (signifying the effects of gravity) on the instability for each set of mean profiles were delineated. At a large Froude number (negligible gravity), a critical density ratio was found for the three profiles at which the jet became absolutely unstable. The critical density ratio for each velocity profile was increased as the Froude number was reduced. A critical Froude number was found for the three sets of profiles, below which the jet was absolutely unstable for all the density ratios less than unity, which demarcated the jet flow into the momentum-driven regime and the buoyancy-driven regime.

Vedantam, NandaKishore↗
NASA NTRS2002

Measurement of Correlation Between Flow Density, Velocity, and Density*velocity(sup 2) with Far Field Noise in High Speed Jets

To locate noise sources in high-speed jets, the sound pressure fluctuations p', measured at far field locations, were correlated with each of radial velocity v, density rho, and phov(exp 2) fluctuations measured from various points in jet plumes. The experiments follow the cause-and-effect method of sound source identification, where correlation is related to the first, and correlation to the second source terms of Lighthill's equation. Three fully expanded, unheated plumes of Mach number 0.95, 1.4 and 1.8 were studied for this purpose. The velocity and density fluctuations were measured simultaneously using a recently developed, non-intrusive, point measurement technique based on molecular Rayleigh scattering. It was observed that along the jet centerline the density fluctuation spectra S(sub rho) have different shapes than the radial velocity spectra S(sub v), while data obtained from the peripheral shear layer show similarity between the two spectra. Density fluctuations in the jet showed significantly higher correlation, than either rhov(sub 2) or v fluctuations. It is found that a single point correlation from the peak sound emitting region at the end of the potential core can account for nearly 10% of all noise at 30 to the jet axis. The correlation, representing the effectiveness of a longitudinal quadrupole in generating noise 90 to the jet axis, is found to be zero within experimental uncertainty. In contrast rhov(exp 2) fluctuations were better correlated with sound pressure fluctuation at the 30 location. The strongest source of sound is found to lie at the centerline and beyond the end of potential core.

Panda, Jayanta↗
DOE OSTI2026

Evaluating hydrogen permeation through medium-density and high-density polyethylene pipes to enable a hydrogen-compatible infrastructure

As the United States and the global community pursue energy abundance and resilience, hydrogen is becoming a critical energy carrier. The future of hydrogen transport depends on one thing: verifying that today’s pipelines are hydrogen ready. This study investigates the permeation behavior of medium-density polyethylene (MDPE) and high-density polyethylene (HDPE) pipelines under pure hydrogen gas environment at various pressures and temperatures. Using thermal desorption analysis (TDA) and direct pipe permeability measurements, hydrogen loss rates are quantified, revealing minimal permeation losses (< 10.5 g/km/day) under realistic operating conditions. Effects of temperature and pressure with Standard Dimension Ratios (SDR), were evaluated to determine their influence on permeation rates of MDPE and HDPE pipelines. In addition, ex-situ density and degree of crystallinity (DOC) of MDPE and HDPEs after hydrogen exposure were also investigated to understand pressure-dependency of polymer properties. The findings provide essential data for assessing polymer-based pipeline materials for safe and reliable hydrogen transport.

08 HYDROGEN↗
DOE OSTI2025

Hydrogen from low-density polyethylene via nonthermal plasma: Effects of energy density and process parameters

Nonthermal plasma processes are promising for the modular valorization of plastic waste, especially into hydrogen and carbon materials, due to their high intensity, lack of reliance on catalysts or consumables, and suitability to be directly powered by electricity. We investigate the production of hydrogen from low-density polyethylene (LDPE) as a plastic waste model using streamer Dielectric Barrier Discharge (sDBD) plasma in nitrogen at atmospheric pressure. Here, we examine the effects of process energy density (energy input per unit of feedstock mass), feedstock mass, and plasma intensity (electric voltage) on plasma properties, hydrogen yield and energy efficiency via gas chromatography, optical emission spectroscopy, and electrical diagnostics, together with reactor-scale and nonlinear electric circuit modeling. The characteristic temperature of free electrons in the sDBD plasma is approximately 15000 K (1.3 eV), and that of gas species 10 times lower, demonstrating strong thermal non-equilibrium that can lead to molecular bond scission via charged species impact rather than direct heating. Experimental results show that higher energy density leads to greater hydrogen production and diminishing energy efficiency, and that higher plasma intensity and larger feedstock mass lead to greater hydrogen yield due to higher plasma temperatures and enhanced energy fluxes to the feedstock.

08 HYDROGEN↗
DOE OSTI2025

Tetrahedral Lithium Stuffing in Disordered Rocksalt Cathodes for High-Power-Density and Energy-Density Batteries

Li-rich cation-disordered rocksalt (DRX) materials introduce new paradigms in the design of high-capacity Li-ion battery cathode materials. However, DRX materials show strikingly sluggish kinetics due to random Li percolation with poor rate performance. Here, in this study, we demonstrate that Li stuffing into the tetrahedral sites of the Mn-based rocksalt skeleton injects a novel tetrahedron-octahedron-tetrahedron diffusion path, which acts as a low-energy-barrier hub to facilitate high-speed Li transport. Moreover, the enhanced stability of lattice oxygen and the suppression of transition metal migration preserve the efficacy of the Li percolation network during cycling. Overall, the tetrahedral Li stuffing DRX material exhibits high energy density (311 mAh g -1 , 923 Wh kg -1 ) and high power density (251 mAh g -1 , 697 Wh kg -1 at 1000 mA g -1 ). Our results highlight the potential to develop high-performance and earth-abundant cathode materials within the extensive range of rocksalt compounds.

Disordered Rocksalt Cathodes↗
DOE OSTI2025

Quantum Monte Carlo and Density Functional Theory Study of Strain and Magnetism in 2D 1T-VSe 2 with Charge Density Wave States

Two-dimensional (2D) 1T-VSe 2 has prompted significant interest due to the discrepancies regarding alleged ferromagnetism (FM) at room temperature, charge density wave (CDW) states, and the interplay between the two. We employed a combined Diffusion Monte Carlo (DMC) and density functional theory (DFT) approach to accurately investigate the magnetic properties, CDW states, and their responses to strain in monolayer 1T-VSe 2 . Our calculations show the delicate competition between various phases, revealing critical insights into the relationship between their energetic and structural properties. Here, we performed classical Monte Carlo simulations informed by our DMC and DFT results and found the magnetic transition temperature (T c ) of the undistorted (non-CDW) FM phase to be 228 K and the distorted (CDW) phase to be 68 K. Additionally, we studied the response of biaxial strain on the energetic stability and magnetic properties of various phases of 2D 1T-VSe 2 and found that small amounts of strain can increase the T c , suggesting a promising route for engineering and enhancing magnetic behavior. Finally, we synthesized 1T-VSe 2 and performed Raman spectroscopy measurements, which were in close agreement with our calculated results, validating our computational approach. Our work emphasizes the role of highly accurate DMC methods in advancing the understanding of monolayer 1T-VSe 2 and provides a robust framework for future studies of 2D magnetic materials.

2D magnets↗
DOE OSTI2025

Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights

Despite decades of work on aqueous lead (Pb) adsorption on a-Fe2O3 (hematite) and a-Al2O3 (alumina), gaps between measurements and modeling obscure molecular-level understanding. Achieving well-matched geometries between theory and experimental for mineral-water interfaces is a hurdle, as surface functional group type and distribution must be accounted for in determining mechanisms. Additionally, computational methods that can describe the substrate are often not appropriate to capture aqueous effects. Progress requires focusing on well-studied and relevant systems, such as key facets (001),(012), and (110) of hematite and alumina, and ubiquitous contaminants such as aqueous Pb. In the past, bulk-parametrized bond-valence principles were used to rationalize Pb(II) adsorption trends. These approaches can break down at surfaces, where flexible bonding environments and adsorption-induced surface relaxations play a critical role. Here, we adapt and apply a density functional theory (DFT) and thermodynamics framework, integrating DFT-calculated energies with experimental data and electrochemical principles, to predict Pb(II) adsorption. Our model results capture trends across the full set of surfaces and predict that inner-sphere Pb(II) sorption on (001) alumina varies from unfavorable to weakly favorable across a range of pH conditions. This aligns with experiment insights that Pb(II) interacts at that surface through outer-sphere interactions. Extending to Fe(II) adsorption, we demonstrate a coverage-dependent site preference, potentially explaining disorder in overlayers grown by the oxidative adsorption of Fe(II) on hematite (001).

lead contamination↗