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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Structure of three-dimensional turbulent boundary layers

The changes that occur in the Reynolds-stress-producing motion when a cross-stream pressure gradient is applied to an initially two-dimensional turbulent flow are discussed. Two examples are used: (1) a temporal simulation of a channel flow with crossflow applied by a spanwise pressure gradient for t is greater than 0; and (2) a spatial simulation of the boundary layer on an infinite swept wing. Evidence examined to date suggests that the structural changes in the two cases are similar, but the mechanisms may be significantly different, even if effects peculiar to the viscous wall region are ignored. The results from (2) are provisional, based on too short a time series for accurate statistical averages to be obtained. We treat turbulence 'statistics' (solutions of the Navier-Stokes equations in three space dimensions and time) in the same way as experiments: both have limitations of accuracy but both are acceptable representations of real fluid flows.

Bradshaw, P.↗
DOE OSTI2023

GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code

We present a Graphics Processing Unit (GPU)-accelerated version of the real-space SPARC electronic structure code for performing Kohn–Sham density functional theory calculations within the local density and generalized gradient approximations. In particular, we develop a modular math-kernel based implementation for NVIDIA architectures wherein the computationally expensive operations are carried out on the GPUs, with the remainder of the workload retained on the central processing units (CPUs). Here, using representative bulk and slab examples, we show that relative to CPU-only execution, GPUs enable speedups of up to 6× and 60× in node and core hours, respectively, bringing time to solution down to less than 30 s for a metallic system with over 14 000 electrons and enabling significant reductions in computational resources required for a given wall time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Supporting Information for manuscript: “A latitudinal gradient in S/G lignin monomer ratio driven by laccase in natural poplar variants”

Lignin composition plays a crucial role in plant structural integrity and environmental adaptation. However, the genetic and molecular mechanisms underlying natural variation in lignin composition remain poorly understood. This study investigates the syringyl-to-guaiacyl (S/G) lignin monomer ratio across a natural population of Populus trichocarpa spanning a latitudinal gradient along the Northwest coast of North America. By integrating biochemical, genomic, and geographic analysis, we identify key gene variants associated with S/G ratio differences. These datasets provide valuable insights into the evolutionary and functional genomics of lignin composition and serve as a resource for developing poplar variants optimized for forestry and bioenergy applications.

Poplar, lignin composition, laccases, latitude, ad↗
DOE OSTI2025

In-device Battery Failure Analysis

Lithium-ion batteries are indispensable power sources for a wide range of modern electronic devices. However, battery lifespan remains a critical limitation, directly affecting the sustainability and user experience. Conventional battery failure analysis in controlled lab settings may not capture the complex interactions and environmental factors encountered in real-world, in-device operating conditions. Here, this study analyzes the failure of commercial wireless earbud batteries as a model system within their intended usage context. Through multiscale and multimodal characterizations, the degradations from the material level to the device level are correlated, elucidating a failure pattern that is closely tied to the specific device configuration and operating conditions. The findings indicate that the ultimate failure mode is determined by the interplay of battery materials, cell structural design, and the in-device microenvironment, such as temperature gradients and their fluctuations. This holistic, in-device perspective on environmental influences provides critical insights for battery integration design, enhancing the reliability of modern electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Prediction of residual stresses in additively manufactured parts using lumped capacitance and classical lamination theory

Several industries are interested in Laser Powder Bed Fusion (L-PBF) Additively Manufactured (AM) metal parts because their designs can be made arbitrarily complex while retaining bulk-type material properties. However, the residual stresses (RS) and distortions caused by the heat gradients inherent to L-PBF processes are detrimental to the structural integrity of the parts and must be taken into consideration during the part design cycle. Predicting the state of stresses in as-built 3D printed parts is a difficult problem that is typically approached with the use of transient thermomechanical Finite Element Models (FEMs). However, the nonlinearities associated with AM processes are difficult to capture in these FEMs without increasing the computational cost of the simulation, limiting their ability to be incorporated into practical design cycles. This work presents a novel analytical framework that combines lumped capacitance nonlinear heat transfer with time dependent classical lamination theory to efficiently and accurately predict RS in as-built L-PBF parts without the need of FEMs. The simulation was compared to Neutron Diffraction (ND) residual strain measurements taken at Oak Ridge National Laboratories (ORNL) as well as Synchrotron X-ray Diffraction (XRD) strain data published by the National Institute of Standards and Technology (NIST). The simulation predictions and the experimental data showed excellent agreement for the in-plane strain directions, and general agreement for the out of plane strain component, highlighting an area where further development can be implemented.

42 ENGINEERING↗
DOE OSTI2022

On the effects of reactant stratification and wall curvature in non-premixed rotating detonation combustors

The optimization of non-premixed rotating detonation combustors (RDCs) requires improved understanding of the coupled effects of reactant stratification, fluid property gradients, and complex shock-wave interactions on the detonation wave structure within annular geometries. In the current work, simultaneous orthogonal views of chemiluminescence and hydroxyl planar laser-induced fluorescence (PLIF) are utilized to establish the existence of a dual-wave system characterized by leading and trailing detonation waves that are closely coupled by the local flow physics. These features are persistent over a wide range of mass flow rates and are consistent with prior observations of non-premixed rotating detonations in annular geometries. The detailed instantaneous time sequences are compared with a 3D reactive unsteady Reynolds averaged Navier-Stokes (URANS) simulation to more clearly elucidate the in-situ combustion dynamics and the sensitivity to reactant inlet conditions. It is found that the dual-wave system results from unburned reactants that survive the leading detonation wave in the injector near field and are consumed within a trailing azimuthal reflected-shock combustion (ARSC) zone. By contrast, the injector far field is characterized by rapid mixing due to a sudden drop to subsonic conditions, and the bifurcated detonation wave structure collapses into a stronger, single-wave detonation front with higher overall pressure ratio as compared with the dual-wave system. While each RDC will have different inflow, mixing, and combustion characteristics, the underlying interactions between the stratified reactants and azimuthal wave dynamics identified through the combination of advanced MHz-rate diagnostics and 3D numerical simulations have important implications for the study of detonation wave stability, mode transition, and combustion efficiency in non-premixed annular RDCs.

3D URANS↗
DOE OSTI2025

Hydrodynamic modeling of plasma channel systems for laser plasma accelerators

Structured plasma channels are an essential technology for driving high-gradient, plasma-based acceleration and control of electron and positron beams for advanced concepts accelerators. Laser and gas technologies can permit the generation of long plasma columns known as hydrodynamic, optically-field-ionized (HOFI) channels, which feature low on-axis densities and steep walls. By carefully selecting the background gas and laser properties, one can generate narrow, tunable plasma channels for guiding high intensity laser pulses. Here, we present on the development of simulations of HOFI channels using the FLASH code, a publicly available radiation hydrodynamics code. We explore sensitivities of the channel evolution to laser profile, intensity, and background gas conditions, and identify relevant scalings with laser intensity through a range of practical channel delays.

Accelerators↗
DOE OSTI2025

Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs

Applications of deep learning (DL) to design nanomaterials are hampered by a lack of suitable data representations and training data. Here, in this study, we report efforts to overcome these limitations and leverage DL to optimize the nonlinear optical properties of core–shell upconverting nanoparticles (UCNPs). UCNPs, which have applications in fields such as biosensing, super-resolution microscopy and three-dimensional printing, can emit visible and ultraviolet light from near-infrared excitations. We report a large-scale dataset of UCNP emission spectra based on accurate but expensive kinetic Monte Carlo simulations (N > 6,000) and use these data to train a heterogeneous graph neural network using a physically motivated representation of UCNP nanostructure. Applying gradient-based optimization on the trained graph neural network, we identify structures with 6.5× higher predicted emission under 800-nm illumination than any UCNP in our training set. Our work reveals design principles for UCNP heterostructures and presents a roadmap for DL-based inverse design of nanomaterials.

Sivonxay, Eric [Lawrence Berkeley National Laborat↗
DOE OSTI2021

The effects of laser polarization and wavelength on injection dynamics of a laser wakefield accelerator

Here, we investigate the effects of laser polarization and wavelength on electron injection dynamics in a laser wakefield accelerator. During the ionization process, electrons gain residual momentum and kinetic energy via above threshold ionization, which has a strong dependence on laser polarization. A circularly polarized laser pulse results in a much higher residual momentum and kinetic energy gain for the ionized electrons compared with the linearly polarized case. This residual momentum results in particle injection because of the sensitivity of particle trapping to the initial conditions and enhanced the total injected beam charge in both experiments and particle-in-cell simulations. Due to the strong correlation of above threshold ionization with laser wavelength, in this work we extended the investigation to long wavelength (up to 20 μm) drive pulses using particle-in-cell simulations. Owing to the gain in kinetic energy, it may be expected that the charge trapped would consistently increase for circular polarization with increasing laser wavelength, but this was not observed. Instead, there are oscillations with wavelength in the relative trapped charge between linear and circular polarization cases, which arise because of ionization and heating effects on the plasma. Our studies highlight the complex interplay between several different physical effects, including injection regimes—above threshold ionization assisted injection, wave-breaking injection by carrier-envelope-phase effects and ionization injection—ionization gradient induced laser pulse evolution, and thermal modifications to the wake structure that need considering when extrapolating laser wakefield acceleration to different wavelength regimes.

Ma, Y. (ORCID:0000000239194856)↗
DOE OSTI2024

Investigating instabilities in magnetized low-pressure capacitively coupled RF plasma using particle-in-cell (PIC) simulations

The effect of a uniform magnetic field on particle transport in low-pressure radio frequency (RF) capacitively coupled plasma (CCP) has been studied using a particle-in-cell model. Three distinct regimes of plasma behavior can be identified as a function of the magnetic field. In the first regime at low magnetic fields, asymmetric plasma profiles are observed within the CCP chamber due to the effect of $\overrightarrow{E}$ × $\overrightarrow{B}$ drift. As the magnetic field increases, instabilities develop and form self-organized spoke-shaped structures that are distinctly seen within the bulk plasma closer to the sheath. In this second regime, the spoke-shaped coherent structures rotate inside the plasma chamber in the -$\overrightarrow{E}$ × $\overrightarrow{B}$ direction, where $\overrightarrow{E}$ × $\overrightarrow{B}$ are the DC electric and magnetic field vectors, respectively, and the DC electric field exists in the sheath and pre-sheath regions. The spoke rotation frequency is in the megahertz range. As the magnetic field strength increases further, the rotating coherent spokes continue to exist near the sheath. The coherent structures are, however, accompanied by new small-scale incoherent structures originating and moving within the bulk plasma region away from the sheath. This is the third regime of plasma behavior. The threshold values of the magnetic field between these regimes were found not to vary with changing plasma reactor geometry (e.g., area ratio between ground and powered electrodes) or the use of an external capacitor between the RF-powered electrode and the RF source. The threshold values of the magnetic field between these regimes shift toward higher values with increasing gas pressure. Analysis of the results indicates that the rotating structures are due to the lower hybrid instability driven by density gradients and electron-neutral collisions. This paper provides guidance on the upper limit of the magnetic field for instability-free operation in low-pressure CCP-based semiconductor deposition and etch systems that use the external magnetic field for plasma uniformity control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1966

Bypass rod transfers heat developed in thermionic diode

In a thermionic diode, a cesium tube joining the emitter-collector area and the cesium reservoir is fitted with a copper bypass rod held in place by two standoff brackets. The rod transfers heat from the emitter-collector to the reservoir without going through the ceramic seal structure which surrounds the cesium tube and cannot sustain large temperature gradients.

Lazaridis, L. J.↗
NASA NTRS1969

probing the atmosphere with high power, high resolution radars

Observations of radar echoes from the clear atmosphere are presented and the scattering mechanisms responsible for the two basic types of clear-air echoes are discussed. The commonly observed dot echo originates from a point in space and usually shows little variation in echo intensity over periods of about 0.1 second. The second type of clear-air radar echo appears diffuse in space, and signal intensities vary considerably over periods of less than 0.1 second. The echoes often occur in thin horizontal layers or as boundaries of convective activity; these are characterized by sharp gradients of refractive index. Some features of clear-air atmospheric structures as observed with radar are presented. These structures include thin stable inversions, convective thermals, Benard convection cells, breaking gravity waves, and high tropospheric layers which are sufficiently turbulent to affect aircraft.

Hardy, K. R.↗
NASA NTRS1972

Fine structure of the lower atmosphere as seen by high resolution radar

A ground-based vertically pointing FM-CW radar is described that permits remote probing of the refractive index structure in the troposphere. The radar has the characteristics of extremely high sensitivity, ultrahigh range resolution, and close minimum detection range without clutter. The sounder routinely detects layer structures in the lower troposphere. These layers are always associated with gradients in the vertical refractive index profile, and are frequently very thin, approaching the resolution of the radar (1 m). Very often they are perturbed by wave motions. Examples of various wave patterns are presented, and an explanation is given for organized substructures frequently superimposed on larger scale wave motions.

Richter, J. H.↗
NASA NTRS1980

Modulation theory

Cosmic ray modulation theory is reviewed with regard to microscopic effects, gradients, and drift. It is noted that the three-dimensional structure of the heliosphere has been shown to be very important for the understanding of modulation, even for effects observed in the solar equatorial plane. In addition, recent revisions in the understanding of the magnetic field structure have led to a dramatic change in the understanding of modulation.

Jokipii, J. R.↗
NASA NTRS1988

Estimating noise levels of remotely sensed measurements from satellites using spatial structure analysis

A technique is presented whereby the noise level of satellite measurements of the atmosphere and earth can be estimated. The technique analyzes a spatial array of data measured by a satellite instrument. A minimum of about 200 satellite measurements is required, preferably in a regular pattern. Statistical structure analysis is used to describe a combination of the mean gradient and noise in the data. The noise level is then estimated by separating out the gradient information and leaving only the noise. Results are presented for four satellite sounding instruments, and effective blackbody or brightness temperature noise levels were compared to prelaunch specifications or inflight calibrations for each instrument. Comparisons showed that in the absence of cloud-contaminated measurements (in the case of infrared data) and away from the highly variable ground surface, the noise level of various satellite instruments can be obtained without the need for calibration data. The noise levels imply how much spatial averaging is possible, without smearing the detected geophysical gradient, and how much is necessary, to meet the absolute signal accuracy requirements for the intended use of the satellite measurements.

Hillger, Donald W.↗
NASA NTRS1989

Carbon/Carbon Panels Cooled By Heat Pipes

Durable and reusable high-temperature carbon/carbon heat-pipe structure operates at temperatures above 3,000 degree F (1,649 degree C) in vacuum or inert environment and up to 2,800 degree F (1,537 degree C) in oxidizing environment. New concept combines high-temperature heat-pipe and carbon/carbon technologies to extend both thermal structural capabilities of refractory-metal heat pipes and maximum heat-flux capability of carbon/carbon structures. Uses refractory-metal heat pipes embedded within carbon/carbon structure. Walls of heat pipes thin and contain working fluid (lithium or sodium) of heat pipe. Carbon/carbon acts as primary load-carrying part of structure. Heat pipes help to eliminate local hotspots and associated thermal gradients and stresses and to reduce peak surface temperatures of carbon/carbon to levels within capability of oxidation-resisting system.

Camarda, Charles J.↗
NASA NTRS1990

The 27-28 October 1986 FIRE cirrus case study: Meteorology and clouds

Detailed descriptions of the rawinsonde resolved meteorological conditions (3 hourly soundings) associated with a succession of five distinct mesoscale cirrus cloud regimes, that were intensively observed over a 36 hour period, are given. The synoptic scale systems in which these features were embedded are described and a brief overview of the experiment is given. Regional analyses of the static stability structure and vertical motion are presented and interpreted with respect to the characteristics of the corresponding cloud fields as deduced from satellite and lidar observations. The cloud fields exhibited a high degree of persistent mesoscale organization on scales of 20 to 500 km reflecting corresponding scales of dynamic and thermodynamic structure/variability as on the synoptic scale. Cloud generation was usually confined to layers less than 1 km deep (typically 0.5 km in depth) and cellular organization was evident in most cases irrespective of the thermal stratification. Multilayered development was prevalent (2 to 3 layers) and was associated with vertical structure of the temperature and moisture fields resulting primarily from vertical gradients in horizontal advection.

Starr, David↗
NASA NTRS1991

Five-Segment Interconnection For Electromigration Tests

Proposed integrated-circuit conductive pattern intended for use in electromigration lifetime testing of interconnection lines of integrated circuits. Designed for collection of statistics on electromigration from smallest possible area. Includes 5 interconnection segments with Kelvin voltage taps, with total of 12 contact pads, and provides for simultaneous measurements on all of segments. Attempts to minimize thermal gradients within each segment and conforms to guidelines on electromigration test structures promulgated by National Institute of Standards and Technology (NIST).

Hannaman, David J.↗