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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
DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

Middle atmosphere modeling

Breaking gravity waves generate and maintain a background level of turbulence which is capable of producing substantial cooling and/or heating in the upper mesosphere and lower thermosphere. The net thermodynamic effect of breaking gravity waves is critically dependent on the eddy Prandt number (P sub t) applicable to mesospheric turbulence. When P sub t is approximately 1, the calculations of the heat budget for the mesopause region imply that the globally averaged eddy or turbulent diffusion coefficient cannot exceed .000001 sq cm/s. This upper limit on turbulant diffusion applies to both potential temperature transport and chemically inert tracer transport when radiative damping is neglible. For chemically active species larger diffusion coefficients are permitted, because the effective eddy diffusion coefficient is increased by an additive term L/2 gamma (sup 2), where L is the chemical loss rate and gamma is the vertical wavenumber. For P sub t is approximately 4 to 6, the turbulent diffusion of momentum (D sub M) is sufficiently greater than the turbulent diffusion of heat (D sub H) that the conversion of gravity wave energy to heat with high efficiency nearly balances the divergence of the downward eddy heat flux in the wave breaking zone. Therefore the heat budget of the mesopause region would no longer provide a powerful and useful constraint on D sub H. If P sub t exceeds 6 with high efficiency for energy conversion to heat, gravity waves would heat the mesosphere throughout the wave breaking region.

Strobel, D. F.↗
DOE OSTI2024

Photon classification with Gradient Boosted Trees at CLAS12

Dihadron semi-inclusive deep inelastic scattering (SIDIS) of 10.6 GeV longitudinally polarized electrons off the proton has been measured using the CLAS12 detector at Jefferson Lab. Two separate channels, π + π 0 and π - π 0 , were analyzed, requiring the reconstruction of diphoton pairs. Here, in this analysis, we addressed the problem of false neutral particles being reconstructed by CLAS12's event builder, polluting the otherwise physical combinatorial background underneath the π 0 peak. A photon classifier using a Gradient Boosted Trees (GBTs) architecture was trained with Monte Carlo simulations to reduce the amount of background π 0 's. We show that the nearest-neighbor features learned by the model lead to a substantial increase in signal vs. background discrimination compared to previous CLAS12 π^0 analyses. The machine learning approach recovers several times more dihadron statistics for the dataset.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Phases of $ \mathcal{N} $ = 2 Sachdev-Ye-Kitaev models

We study N = 2 supersymmetric Sachdev-Ye-Kitaev (SYK) models with com- plex fermions at non-zero background charge. Motivated by multi-charge supersymmetric black holes, we propose a new N = 2 SYK model with multiple U(1) symmetries, integer charges, and a non-vanishing supersymmetric index, realizing features not present in known SYK models. In both models, a conformal solution with a super-Schwarzian mode emerges at low temperatures, signaling the appearance of nearly AdS2/BPS physics. However, in contrast to complex SYK, the fermion scaling dimension depends on the background charge in the conformal limit. For a critical charge, we find a high to low entropy phase transition in which the conformal solution ceases to be valid. This transition has a simple interpretation– the fermion scaling dimension violates the unitarity bound. We offer some comments on a holographic interpretation for supersymmetric black holes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Using lower-redshift, non-CMB, data to constrain the Hubble constant and other cosmological parameters

Here we use updated Hubble parameter and baryon acoustic oscillation data, as well as other lower-redshift Type Ia supernova, Mg ii reverberation-measured quasar, quasar angular size, H ii starburst galaxy, and Amati-correlated gamma-ray burst data, to jointly constrain cosmological parameters in six cosmological models. The joint analysis provides model-independent determinations of the Hubble constant, H 0 = 69.7 ± 1.2 km s -1 Mpc -1 , and the current non-relativistic matter density parameter, Ω m0 = 0.295 ± 0.017. These error bars are factors of 2.2 and 2.3 larger than the corresponding error bars in the flat ΛCDM model from Planck TT,TE,EE+lowE+lensing cosmic microwave background anisotropy data. Based on the deviance information criterion (DIC), the flat ΛCDM model is most favored but mild dark energy dynamics and a little spatial curvature are not ruled out.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

SAS 3 survey of the soft X-ray background

The results of a survey of the soft X-ray sky in the C band (0.10-0.28keV) are reported. The observations were carried out using two independent flow proportional counters on board the SAS 3 X-ray satellite which had a total angular resolution of 2.9 deg FWHM, and a total exposure of 2.2 x 10 to the 4th per sq cm s sr. It is found that C band counting rates were generally inversely correlated with the column density of the neutral hydrogen on all angular scales down to the lowest angular resolution of the detectors. In the region 90-180 deg l and 0-10 deg b, the relation between C-band rates and the column densities of neutral hydrogen was fitted with a residual rms deviation of less than 13 percent by a two-component numerical model of the X-ray background. For the apparent attenuation column density a value of 2.7 x 10 to the 20th per sq cm was obtained. On the basis of a computer simulation of the SAS 3 data, it is shown that the observed clumping of interstellar matter was consistent with the magnitude of spatial fluctuations in the C-band map. When the background rates were subtracted from the survey map, the subsequent map showed foreground emission and absorption features with improved sensitivity and clarity. A series of computer-generated maps incorporating the SAS 3 data is given in an appendix.

Marshall, F. J.↗
NASA NTRS2000

On the Relationship of Multiple Solutions in Tropospheric Photochemistry to Observable Phenomena

Multiple steady-state solutions are a fairly robust feature of simplified models of tropospheric photochemistry and have been reported for a range of different modeling assumptions. Multiple solutions occur through a bifurcation as changes in a control parameter induce a transition from low to high NO(x) conditions. The usual control parameters are the sources of NO and of CO, CH4 or non-methane hydrocarbons. Typically, with increasing NO source, bifurcations occur at NO(x). concentrations that are higher than would be expected of even heavily polluted conditions. However, there are other ways of inducing a low NO(x) - high NO(x) transition. In this paper the primary control parameter is solar zenith angle. This is varied throughout the year by computing noontime steady states on successive days. Background NO(x), varied by assuming different NO(x) sources values, is used as a secondary control parameter. It is found that bifurcations can occur from high to low NO(x) conditions, for reasonable background NO(x) levels, as the model progresses through spring and then from low to high NO,, during the progression through fall. A time dependent version of this model has been run for the same parameter values as in the steady state runs. This shows rapid spring and fall transitions between high and low NO(x) states. H2O2, for example, rises from sub-ppb levels to about 2 ppb over a five day period in spring and declines quickly, but less precipitously, in fall. This study supports the suggestions that the rapid change in peroxide concentrations between summer and winter conditions may be understood as a manifestation of different underlying steady-state behavior.

Stewart, Richard W.↗
DOE OSTI2024

Innovative dead-time correction and background subtraction for neutron multiplicity measurements using neural networks

Abstract The number of neutrons emitted from a nuclear reaction plays a crucial role in various fields, including nuclear theory, nuclear nonproliferation, nuclear energy and nuclear criticality safety. Accurate determination of neutron multiplicities requires the application of several corrections, with dead-time correction and background subtraction being particularly significant. These corrections become more challenging for neutron detectors with time-dependent neutron capture. In this work, we perform a comprehensive study of three existing methods used for dead-time correction and background subtraction in neutron detectors with time-dependent neutron capture. The methods were tested for dead-times in the range from 0 to 1 μs using a Monte Carlo model simulating the dead-time and background effects in the standard neutron multiplicity probability distribution of $$^{252}$$ 252 Cf. The previous methods showed larger than desired uncertainty or systematic trade off. Those uncertainties prompted the development of a novel approach using neural networks trained with data from Monte Carlo simulations. The Neural Network method enabled the correction of neutron multiplicity probabilities more accurately than the other methods with fractional errors smaller than 3% for multiplicities around the peak of $$^{252}$$ 252 Cf. A similar approach using neural networks could be applied to problems where the system being studied can be accurately simulated without having an accurate analytical description available. The neural network method presented in this paper can be easily expanded if multiplicities greater than 10 are expected.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1994

Electron time dispersion

Observations of electrons during a sounding rocket flight from Sondrestromfjord, Greenland, in 1985 showed numerous instances of electron time-of-flight dispersion, that is, a coherent structure in which fast electrons arrived before slow electrons. The instrumentation measured many pitch angles simultaneously with high time resolution, providing a detailed view of the temporal evolution of the electron signature at rocket altitudes which was indicative of an impulsive injection of electrons over a range of energies. A model utilizing an extended, quasi-static (static on a timescale of 1 s), parallel electric field was developed to investigate a possible mechanism for the injection of these electrons. The model is found to fit the data well only when a background is added which cannot be self-consistently generated by the model, although other parameters used in the model are in general agreement with previous reports. This leads to the conclusion that electron dispersion is more probably generated by a wave acceleration mechanism.

Kletzing, C. A.↗
NASA NTRS1993

Testing for the Gaussian nature of cosmological density perturbations through the three-point temperature correlation function

One of the crucial aspects of density perturbations that are produced by the standard inflation scenario is that they are Gaussian where seeds produced by topological defects tend to be non-Gaussian. The three-point correlation function of the temperature anisotropy of the cosmic microwave background radiation (CBR) provides a sensitive test of this aspect of the primordial density field. In this paper, this function is calculated in the general context of various allowed non-Gaussian models. It is shown that the Cosmic Background Explorer and the forthcoming South Pole and balloon CBR anisotropy data may be able to provide a crucial test of the Gaussian nature of the perturbations.

Luo, Xiaochun↗
NASA NTRS2008

Assimilation of Atmospheric InfraRed Sounder (AIRS) Profiles using WRF-Var

The Weather Research and Forecasting (WRF) model contains a three-dimensional variational (3DVAR) assimilation system (WRF-Var), which allows a user to join data from multiple sources into one coherent analysis. WRF-Var combines observations with a background field traditionally generated using a previous model forecast through minimization of a cost function. In data sparse regions, remotely-sensed observations may be able to improve analyses and produce improved forecasts. One such source comes from the Atmospheric Infrared Sounder (AIRS), which together with the Advanced Microwave Sounding Unit (AMSU), represents one of the most advanced space-based atmospheric sounding systems. The combined AIRS/AMSU system provides radiance measurements used as input to a sophisticated retrieval scheme which has been shown to produce temperature profiles with an accuracy of 1 K over 1 km layers and humidity profiles with accuracy of 15% in 2 km layers in both clear and partly cloudy conditions. The retrieval algorithm also provides estimates of the accuracy of the retrieved values at each pressure level, allowing the user to select profiles based on the required error tolerances of the application. The purpose of this paper is to describe a procedure to optimally assimilate high-resolution AIRS profile data into a regional configuration of the Advanced Research WRF (ARW) version 2.2 using WRF-Var. The paper focuses on development of background error covariances for the regional domain and background field type using gen_be and an optimal methodology for ingesting AIRS temperature and moisture profiles as separate overland and overwater retrievals with different error characteristics in the WRF-Var. The AIRS thermodynamic profiles are obtained from the version 5.0 Earth Observing System (EOS) science team retrieval algorithm and contain information about the quality of each temperature layer. The quality indicators are used to select the highest quality temperature and moisture data for each profile location and pressure level. Analyses are run to produce quasi-real-time regional weather forecasts over the continental U.S. The preliminary assessment of the impact of the AIRS profiles will focus on intelligent use of the quality indicators, optimized tuning of the WRF-Var, and comparison of analysis soundings to radiosondes.

Zavodsky, Brad↗
NASA NTRS1980

Remote sensing of ozone in the middle ultraviolet

Earlier studies of the remote sensing of the ozone distribution from satellites in the middle ultraviolet are extended, giving particular attention to the analytic model method. After a brief introduction, the historical background of this subject is presented. This is followed by a summary and review of early work based upon the analytic model. Then a linearized approach to the problem and a linearized equation for a density correction are discussed. These indicate some of the general limitations of the inversion method. Finally the parametrized model approach is reexamined by using both simulated data and some actual satellite data.

Green, A. E. S.↗
NASA NTRS1994

A standard satellite control reference model

This paper describes a Satellite Control Reference Model that provides the basis for an approach to identify where standards would be beneficial in supporting space operations functions. The background and context for the development of the model and the approach are described. A process for using this reference model to trace top level interoperability directives to specific sets of engineering interface standards that must be implemented to meet these directives is discussed. Issues in developing a 'universal' reference model are also identified.

Golden, Constance↗
NASA NTRSDate not supplied

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

The environments experienced by vehicles upon entry into planetary atmospheres generally result in severe aerothermodynamic loading. These flows are characterized by the formation of strong shock waves, behind which high temperatures and non-equilibrium environments are generated, and the accurate prediction of internal energy relaxation and chemical kinetics becomes important. This manuscript focuses on the internal relaxation of the rotational energy of polyatomic molecules. Previous work has described the implementation of a discrete rotational energy model for diatomic molecules (linear rotators). Later, Gimelshein et. al extended this model to include polyatomic molecular internal energies. However, they did not include details on how to generate the particles at equilibrium conditions and centrifugal distortion was not included in their model. The purpose of the present study is to extend the afore-mentioned models to the treatment of discrete rotational energy in polyatomic molecules with the addition of centrifugal distortion. An overview of the background theory needed for the implementation of the model will be given followed by the model itself and verification of the model. For example, sampled versus Boltzmann distributions are compared in Figure 1 for CH3 (oblate rotator – two quantum numbers) and examples of thermal relaxation behavior for linear and non-linear rotators are presented in Figure 2. In addition, comparisons of thermophysical properties will be presented, as well as examples of adiabatic relaxation and application to hypersonic flow.

Rarefied Gas Dynamics↗
DOE OSTI2020

Exploration of oxidative chemistry and secondary organic aerosol formation in the Amazon during the wet season: explicit modeling of the Manaus urban plume with GECKO-A

The GoAmazon 2014/5 field campaign took place in Manaus, Brazil, and allowed the investigation of the interaction between background-level biogenic air masses and anthropogenic plumes. We present in this work a box model built to simulate the impact of urban chemistry on biogenic secondary organic aerosol (SOA) formation and composition. An organic chemistry mechanism is generated with the Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) to simulate the explicit oxidation of biogenic and anthropogenic compounds. A parameterization is also included to account for the reactive uptake of isoprene oxidation products on aqueous particles. The biogenic emissions estimated from existing emission inventories had to be reduced to match measurements. The model is able to reproduce ozone and NO x for clean and polluted situations. The explicit model is able to reproduce background case SOA mass concentrations but does not capture the enhancement observed in the urban plume. The oxidation of biogenic compounds is the major contributor to SOA mass. A volatility basis set (VBS) parameterization applied to the same cases obtains better results than GECKO-A for predicting SOA mass in the box model. The explicit mechanism may be missing SOA-formation processes related to the oxidation of monoterpenes that could be implicitly accounted for in the VBS parameterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗