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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Dissolution of Nb(C,N) During Post-weld Heat-Treatment of Electric Resistance Welded X70 Line Pipe

The effect of peak temperature for post-weld heat treatment (PWHT) on the dissolution of Nb-rich carbonitrides, Nb(C,N), in the weldline of an electric resistance welded (ERW) X70 grade pipeline steel was investigated. Selected-area electron diffraction patterns and corresponding electron energy loss spectroscopy mappings revealed both Nb-rich carbonitrides and Ti-rich nitrides, (Ti,Nb)N, in the sample heat-treated to 1080 °C peak temperature. However, only Ti-rich nitrides were revealed in the sample heat-treated to 1220 °C peak temperature. During continuous heating to higher than the Ac3 temperature, i.e., near 1100 °C temperature, the dissolution of Nb(C,N) was observed in dilation and derivative of dilation. Notably, this experimental result agreed with the predictions by a DICTRA model. Furthermore, a phenomenological model was developed to explain the volume shrinkage during the dissolution of Nb(C,N) precipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction

The electrocatalytic oxygen evolution reaction (OER) supplies the protons and electrons needed to transform renewable electricity into chemicals and fuels. However, the OER is kinetically sluggish; it operates at significant rates only when the applied potential far exceeds the reversible voltage. The origin of this overpotential is hidden in a complex mechanism involving multiple electron transfers and chemical bond making/breaking steps. Our desire to improve catalytic performance has then made mechanistic studies of the OER an area of major scientific inquiry, though the complexity of the reaction has made understanding difficult. While historically, mechanistic studies have relied solely on experiment and phenomenological models, over the past twenty years ab initio simulation has been playing an increasingly important role in developing our understanding of the electrocatalytic OER and its reaction mechanisms. In this Review we cover advances in our mechanistic understanding of the OER, organized by increasing complexity in the way through which the OER is modeled. We begin with phenomenological models built using experimental data before reviewing early efforts to incorporate ab initio methods into mechanistic studies. We go on to cover how the assumptions in these early ab initio simulations-no electric field, electrolyte, or explicit kinetics-have been relaxed. Through comparison with experimental literature, we explore the veracity of these different assumptions. We summarize by discussing the most critical open challenges in developing models to understand the mechanisms of the OER.

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

Global tuning of hadronic interaction models with accelerator-based and astroparticle data

In high-energy and astroparticle physics, event generators play an essential role, even in the simplest data analyses. As analysis techniques become more sophisticated, e.g. based on deep neural networks, their correct description of the observed event characteristics becomes even more important. Physical processes occurring in hadronic collisions are simulated within a Monte Carlo framework. A major challenge is the modeling of hadron dynamics at low momentum transfer, which includes the initial and final phases of every hadronic collision. QCD-inspired phenomenological models used for these phases cannot guarantee completeness or correctness over the full phase space. These models usually include parameters which must be tuned to suitable experimental data. Until now, event generators have been developed and tuned mainly on the basis of data from high-energy physics experiments at accelerators. The wealth of data available from the latest generation of astroparticle experiments has not yet been fully exploited, and in many cases is not satisfactorily described. Both kinds of data sets are complementary as astroparticle experiments provide sensitivity especially to hadrons produced nearly parallel to the collision axis and cover center-of-mass energies up to several hundred TeV, well beyond those reached at colliders so far. In this report, we provide an overview of state-of-the-art event generators and their tuning, including the most relevant inputs from high-energy accelerator and astroparticle experiments. We present a road map that shows, for the first time, how the unified tuning of event generators with accelerator-based and astroparticle data can be performed.

Albrecht, J. [Ruhr U., Bochum, RAPP Ctr.; Ruhr U.,↗
NASA NTRSDate not supplied

TPSAS-NF1676L-17560-DND

There has been much work in the past few years updating direct simulation Monte Carlo (DSMC) algorithms and phenomenological models. Algorithmic advances[1] have allowed simulations to be run more efficiently reducing the time to solution as well as allowing simulations to be run at lower altitudes because of the increased efficiency. Improved phenomenological models have focused on chemistry[2, 3] and internal energy modes[4, 5] and have had a profound effect on DSMC simulations by way of expanded physical realism[6] and computational speed. The DAC software[7, 8] has been widely adopted and performs well the jobs it was designed to do, but upgrading DAC to take advantage of these modeling advances has proven difficult due to a lack of modularity in the code base. Agency investment in DSMC code development has been almost non-existent for the past two decades. DAC was developed in the 1990?s at LaRC and has seen little improvement since. However, NASA is currently (under the Hypersonics Entry, Descent and Landing program) investing in the possibility of a stand-alone code to incorporate recent developments to expand physical realism, time to solution, and expand the range of usefulness of DSMC (both in velocity space and altitude).

Derek S Liechty↗
NASA NTRS1991

The gravitomagnetic interaction and its relationship to other relativistic gravitational effects

To better understand the relationship between the expected precession rates of an orbiting gyroscope (GP-B) and other observable consequences in the solar system of relativistic, post-Newtonian gravity, a phenomenological model was developed of post-Newtonian gravity which presupposes the very minimum possible concerning the nature and foundations of the gravitational interaction. Solar system observations, chiefly interplanetary ranging, fix all the parameters in the phenomenological model to various levels of precision. This permits prediction of gyroscope precession rates to better than 10 pct. accuracy. A number of new precession terms are calculated which would exist if gravity were not a metric field phenomenon, but this would clash with other empirical observations of post-Newtonian effects in gravity. It is shown that gravitomagnetism, the post-Newtonian gravitational corrections to the interactions between moving matter, plays a ubiquitous role in determining a wide variety of gravitational effects, including the precession of orbiting gyroscopes.

Nordtvedt, Kenneth↗
NASA NTRS1980

Magnetic variations during substorms

Extensive observations of magnetic field variations during auroral substorms have been used to construct phenomenological models of the substorm process. In one model, three substorm phases, growth, expansion and recovery correspond respectively to energy storage, energy release and return to equilibrium. New data and more detailed studies show the simple model required modification. Consideration is given to a number of recent studies of substorm magnetic field variations which illustrate the limitations of the simple model. These include the existence of several substorm expansions following a single growth phase; the frequent occurrence of multiple onsets of a single substorm; plasma sheet thinning prior to each onset; correlations between northward fluctuations of the IMF and expansion onset. These observations are incorporated into a revised phenomenological model.

Mcpherron, R. L.↗
DOE OSTI2021

Electron-beam energy reconstruction for neutrino oscillation measurements

Neutrinos exist in one of three types or ‘flavours’—electron, muon and tau neutrinos—and oscillate from one flavour to another when propagating through space. This phenomena is one of the few that cannot be described using the standard model of particle physics (reviewed in ref. 1), and so its experimental study can provide new insight into the nature of our Universe (reviewed in ref. 2). Neutrinos oscillate as a function of their propagation distance (L) divided by their energy (E). Therefore, experiments extract oscillation parameters by measuring their energy distribution at different locations. As accelerator-based oscillation experiments cannot directly measure E, the interpretation of these experiments relies heavily on phenomenological models of neutrino–nucleus interactions to infer E. Here we exploit the similarity of electron–nucleus and neutrino–nucleus interactions, and use electron scattering data with known beam energies to test energy reconstruction methods and interaction models. We find that even in simple interactions where no pions are detected, only a small fraction of events reconstruct to the correct incident energy. More importantly, widely used interaction models reproduce the reconstructed energy distribution only qualitatively and the quality of the reproduction varies strongly with beam energy. This shows both the need and the pathway to improve current models to meet the requirements of next-generation, high-precision experiments such as Hyper-Kamiokande (Japan) and DUNE (USA).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Microscopic examination of rf-cavity-quality niobium films through local nonlinear microwave response

The performance of superconducting radio-frequency (SRF) cavities is sometimes limited by local defects. To investigate the rf properties of these local defects, especially those that nucleate rf magnetic vortices, a near-field magnetic microwave microscope is employed. Local third-harmonic response ( P 3 f ) and its temperature dependence and rf power dependence are measured for one Nb / Cu film grown by direct current magnetron sputtering (DCMS) and six Nb / Cu films grown by high-power impulse magnetron sputtering (HiPIMS) with systematic variation of deposition conditions. Five out of the six HiPIMS Nb / Cu films show a strong third-harmonic response that is likely coming from rf vortex nucleation due to a low- T c surface defect with a transition temperature between 6.3 and 6.8 K, suggesting that this defect is a generic feature of air-exposed HiPIMS Nb / Cu films. A phenomenological model of surface-defect grain boundaries hosting a low- T c impurity phase is introduced and studied with time-dependent Ginzburg-Landau (TDGL) simulations of probe-sample interaction to better understand the measured third-harmonic response. The simulation results show that the third-harmonic response of rf vortex nucleation caused by surface defects exhibits the same general features as the data, including peaks in third-harmonic response with temperature, and their shift and broadening with higher microwave amplitude. We find that the parameters of the phenomenological model (the density of surface defects that nucleate rf vortices and the depth an rf vortex travels through these surface defects) vary systematically with film deposition conditions. From the point of view of these two properties, the Nb / Cu film that is most effective at reducing the nucleation of rf vortices associated with surface defects can be identified. Published by the American Physical Society 2024

Wang, Chung-Yang (ORCID:0000000184299633)↗
DOE OSTI2025

Three-dimensional core-collapse supernova models with phenomenological treatment of neutrino flavor conversions

Abstract We perform three-dimensional supernova simulations with a phenomenological treatment of neutrino flavor conversions. We show that the explosion energy can increase to as high as $\sim 10^{51}$ erg depending on the critical density for the onset of flavor conversions, due to a significant enhancement of the mean energy of electron antineutrinos. Our results confirm previous studies showing such energetic explosions, but for the first time in three-dimensional configurations. In addition, we predict neutrino and gravitational wave (GW) signals from a nearby supernova explosion aided by flavor conversions. We find that the neutrino event number decreases because of the reduced flux of heavy-lepton neutrinos. In order to detect GWs, next-generation GW telescopes such as Cosmic Explorer and the Einstein Telescope are needed even if the supernova event is located at the Galactic Center. These findings show that the neutrino flavor conversions can significantly change supernova dynamics and highlight the importance of further studies on the quantum kinetic equations to determine the conditions of the conversions and their asymptotic states.

Mori, Kanji↗
DOE OSTI2022

Microstructure-Sensitive Uncertainty Quantification for Crystal Plasticity Finite Element Constitutive Models Using Stochastic Collocation Methods

Uncertainty quantification (UQ) plays a major role in verification and validation for computational engineering models and simulations, and establishes trust in the predictive capability of computational models. In the materials science and engineering context, where the process-structure-property-performance linkage is well known to be the only road mapping from manufacturing to engineering performance, numerous integrated computational materials engineering (ICME) models have been developed across a wide spectrum of length-scales and time-scales to relieve the burden of resource-intensive experiments. Within the structure-property linkage, crystal plasticity finite element method (CPFEM) models have been widely used since they are one of a few ICME toolboxes that allows numerical predictions, providing the bridge from microstructure to materials properties and performances. Several constitutive models have been proposed in the last few decades to capture the mechanics and plasticity behavior of materials. While some UQ studies have been performed, the robustness and uncertainty of these constitutive models have not been rigorously established. In this work, we apply a stochastic collocation (SC) method, which is mathematically rigorous and has been widely used in the field of UQ, to quantify the uncertainty of three most commonly used constitutive models in CPFEM, namely phenomenological models (with and without twinning), and dislocation-density-based constitutive models, for three different types of crystal structures, namely face-centered cubic (fcc) copper (Cu), body-centered cubic (bcc) tungsten (W), and hexagonal close packing (hcp) magnesium (Mg). Our numerical results not only quantify the uncertainty of these constitutive models in stress-strain curve, but also analyze the global sensitivity of the underlying constitutive parameters with respect to the initial yield behavior, which may be helpful for robust constitutive model calibration works in the future.

36 MATERIALS SCIENCE↗
NASA NTRS1978

A phenomenological pulsar model

Particle injection energies and rates previously calculated for the stellar wind generation by rotating magnetized neutron stars are adopted. It is assumed that the ambient space-charge density being emitted to form this wind is bunched. These considerations immediately place the coherent radio frequency luminosity from such bunches near 10 to the 28th erg/s for typical pulsar parameters. A comparable amount of incoherent radiation is emitted for typical (1 second) pulsars. For very rapid pulsars, however, the latter component grows more rapidly than the available energy sources. The comparatively low radio luminosity of the Crab and Vela pulsars is attributed to both components being limited in the same ratio. The incoherent radiation essentially has a synchotron spectrum and extends to gamma-ray energies; consequently the small part of the total luminosity that is at optical wavelengths is unobservable. Assuming full coherence at all wavelengths short of a critical length gives a spectral index for the flux density of -8/3 at higher frequencies. The finite energy available from the injected particles would force the spectrum to roll over below about 100 MHz, although intrinsic morphological factors probably enter for any specific pulsar as well.

Michel, F. C.↗
NASA NTRS1993

Simulation of a passive millimeter wave sensor

The visual display expected to be generated by a Passive Millimeter Wave (PMMW) camera and sensor system has been simulated on a Silicon Graphics IRIS workstation at the NASA Langley Research Center (LaRC). The low resolution of the sensor has been simulated by graphically manipulating the scene as it is being drawn by the IRIS in real time. Camera field of view, sensor resolution, and sensor update rate are the controllable parameters. Physical effects such as lens model, radome effects, and noise have not been included at this time. An approximate dynamic model of the atmospheric phenomenology has been included which generates the gray-scale intensity values in real time for the simulated image. The gray-scale values are proportional to temperature. A snapshot capability which captures individual image frames during real-time operation has been included. These images were used to validate the approximate phenomenology model against a more rigorous physical model.

Kahlbaum, William W.↗
NASA NTRS1991

Baryon isocurvature scenario in inflationary cosmology - A particle physics model and its astrophysical implications

A phenomenological model to produce isocurvature baryon-number fluctuations is proposed in the framework of inflationary cosmology. The resulting spectrum of density fluctuation is very different from the conventional Harrison-Zel'dovich shape. The model, with the parameters satisfying several requirements from particle physics and cosmology, provides an appropriate initial condition for the minimal baryon isocurvature scenario of galaxy formation discussed by Peebles.

Yokoyama, Jun'ichi↗
NASA NTRS2012

A Review of the Ginzburg-Syrovatskii's Galactic Cosmic-Ray Propagation Model and its Leaky-Box Limit

Phenomenological models of galactic cosmic-ray propagation are based on a diffusion equation known as the Ginzburg-Syrovatskii s equation, or variants (or limits) of this equation. Its one-dimensional limit in a homogeneous volume, known as the leaky-box limit or model, is sketched here. The justification, utility, limitations, and a typical numerical implementation of the leaky-box model are examined in some detail.

Barghouty, A. F.↗
DOE OSTI2021

nn-PINNs: Non-Newtonian physics-informed neural networks for complex fluid modeling

Time- and rate-dependent material functions in non-Newtonian fluids in response to different deformation fields pose a challenge in integrating different constitutive models into conventional computational fluid dynamic platforms. Considering their relevance in many industrial and natural settings alike, robust data-driven frameworks that enable accurate modeling of these complex fluids are of great interest. The main goal is to solve the coupled Partial Differential Equations (PDEs) consisting of the constitutive equations that relate the shear stress to the deformation and fully capture the behavior of the fluid under various flow protocols with different boundary conditions. Here, in this work, we present non-Newtonian physics-informed neural networks (nn-PINNs) for solving systems of coupled PDEs adopted for complex fluid flow modeling. The proposed nn-PINN method is employed to solve the constitutive models in conjunction with conservation of mass and momentum by benefiting from Automatic Differentiation (AD) in neural networks, hence avoiding the mesh generation step. nn-PINNs are tested for a number of different complex fluids with different constitutive models and for several flow protocols. These include a range of Generalized Newtonian Fluid (GNF) empirical constitutive models, as well as some phenomenological models with memory effects and thixotropic timescales. nn-PINNs are found to obtain the correct solution of complex fluids in spatiotemporal domains with good accuracy compared to the ground truth solution. We also present applications of nn-PINNs for complex fluid modeling problems with unknown boundary conditions on the surface, and show that our approach can successfully recover the velocity and stress fields across the domain, including the boundaries, given some sparse velocity measurements.

42 ENGINEERING↗
DOE OSTI2021

Test of model of equivalence of tree height growth and transpiration rates in percolation-based phenomenology for root-soil interaction

We recently introduced a phenomenological model to represent root-soil interactions that accounts for variability in tree growth on local scales and within species (Hunt et al., 2020). Here, using publicly available datasets, we examine the developed model to provide additional empirical evidence, which also gives novel insight into two particular tree species, Eucalyptus regnans and Eucalyptus sieberri. In particular, we discovered two novel aspects of the model: a power-law time dependence with a different power-law exponent than usually heretofore applied, and apparently a direct equivalence of results for transpiration and growth rates. Also, although our original expectation was that growth and transpiration were merely proportional, comparison of the entire BAAD data set (Falster et al., 2015) for tree height with our model (Hunt et al., 2020; Fig. 1) already suggested approximate equality of these disparate measurements (volume/area, height). In this present manuscript we find further evidence for equivalence of the two measurements and provide additional theoretical basis for a model assumption regarding constancy of sap flow rates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Engineering-scale Modeling of High-Temperature Creep and Creep Crack Growth in Alloy 316H

This document demonstrates completion of the goals described in the technical narrative of the Department of Energy’s Industry Funding Opportunity Announcement (iFOA) project entitled “Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing,” which relates to the development and demonstration of capabilities for conducting engineering-scale simulations of Alloy 316H components under high-temperature conditions. This work encompassed two major aspects: integrating and testing constitutive models for the creep response of 316H at high temperatures, and developing tools for modeling creep crack growth (CCG) in 316H. Two classes of constitutive models were used in this effort: phenomenological models based on behavior observed at the engineering scale, and reduced-order models (ROMs) that represent the nonlinear response of mesoscale models that capture the sensitivity to material microstructure and processing. Likewise, the approaches employed for CCG modeling considered both simplified engineering approaches and detailed simulations of creep and damage ahead of the crack tip. These developments, which were performed by utilizing the Grizzly code as well as the open-source libraries it depends on, strengthen Grizzly’s ability to support licensing and safety analyses of high-temperature reactor components.

316H↗
NASA NTRS1988

Measurements of the gas temperature and iron abundance distribution in the Coma Cluster

The medium energy X-ray detectors onboard the EXOSAT Observatory have been used to determine the gas temperature at several positions in the Coma Cluster of galaxies. Evidence is found at greater than 95 percent confidence for a higher temperature in the center of the cluster than in a position approximately 45 arcmin off-center. No difference in iron abundance is observed between the center and off-center regions and the equilibrium model for the distribution of elements in the Coma Cluster of Abramopoulos, Chanan, and Ku can be rejected with greater than 99.5 percent confidence, in favor of a model with more uniform composition. A phenomenological model is presented of the Coma Cluster, which is consistent with the data presented here, as well as the imaging data from the Einstein Observatory and the Tenma X-ray spectrum. The model has a central isothermal region of temperature about 9 keV extending to about 25 arcmin (about 1 Mpc). Beyond this radius the temperature falls as a polytrope with index about 1.6.

Hughes, John P.↗