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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Modification of conventional peak shapes to accurately represent spectral asymmetry: High-Resolution X-ray photoelectron spectra of [C 4 C 1 Pyrr][NTf 2 ] and [C 8 C 1 Im][NTf 2 ] ionic liquids

X-ray photoelectron spectroscopy (XPS) is one of the most widely used techniques for surface characterization. Analysis of XPS data is challenging and requires the analyst to fit the data with synthetic line shapes to reach physically meaningful interpretations. Experimental spectral envelopes, however, are complex and display asymmetric features that are often ignored or attributed to additional chemical components. The high-resolution XPS spectra of [C 4 C 1 Pyrr][NTf 2 ] and [C 8 C 1 Im][NTf 2 ] all exhibit a degree of asymmetry which is systematically observed at the higher binding energy side of photoemission envelopes. Here, we present the development of a refined fitting procedure for XPS spectra of these ionic liquid-based systems which include (a) Shirley background offset necessary to account for the insulator-like region and (b) spectral asymmetry in C 1s and N 1s regions. Further, Shirley and trapezoid components are applied to compensate for inelastic scattering taking place during electron transitions as high as 7.8 eV above the start of the fitting region in C 1s high-resolution spectrum. To demonstrate the fitness of this model, we present an analysis of a 2:1 mixture of [C 4 C 1 Pyrr][NTf 2 ]: [C 8 C 1 Im][NTf 2 ].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Origin of the background absorption in carbon nanotubes: Phonon-assisted excitonic continuum

Excitonic effects in 1D semiconductors can be qualitatively different from those in higher dimensions. In particular, the Sommerfeld factor, the ratio of the above-band-edge excitonic continuum absorption to free electron-hole pair generation, has been shown to be less than 1 (suppressed) in 1D systems while it is larger than 1 (enhanced) in 2D and 3D systems. Strong continuum suppression indeed exists in semiconducting single-wall carbon nanotubes, a prototypical 1D semiconductor. However, absorption spectra for carbon nanotubes are typically fit with a combination of Lorentzians and a polynomial background baseline with little physical meaning. We performed absorption measurements in aligned single-chirality (6,5) carbon nanotube films. The obtained spectra were fit with our theoretical model obtained by solving the Boltzmann scattering equation involving fifty-nine different types of transitions among three different types of quasiparticles. Specifically, we took into account microscopic interactions between photons, phonons, and excitons, including their dispersions, which unambiguously demonstrated that the background absorption is due to phonon-assisted transitions from the semiconductor vacuum to finite-momentum continuum states of excitons. The excellent agreement we obtained between experiment and theory suggests that our numerical technique can be seamlessly extended to compute strongly out-of-equilibrium many-body dynamics and time-resolved spectra in low-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The importance of flavor in SMEFT Electroweak Precision Fits

Effective field theory tools are essential for exploring non-Standard Model physics at the LHC in the absence of the discovery of new light particles. Predictions for observables are typically made at the lowest order in the QCD and electroweak expansions in the Standard Model effective field theory (SMEFT) and often ignore the effects of flavor. Here, we present results for electroweak precision observables (EWPOs) at the next-to-leading order QCD and electroweak expansions (NLO) of the SMEFT with an arbitrary flavor structure for the fermion operators. Numerical NLO SMEFT fits to EWPOs have a strong dependence on the assumed flavor structures and we demonstrate this using various popular assumptions for flavor symmetries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

SANS quantification of bound water in water-soluble polymers across multiple concentration regimes

Contrast-variation small-angle neutron scattering (CV-SANS) is a widely used technique for quantifying hydration water in soft matter systems, but it is predominantly applied in the dilute regime or for systems with a well-defined structure factor. Here, CV-SANS was used to quantify the number of hydration water molecules associating with three water-soluble polymers with different critical solution temperatures and types of water–solute interactions in dilute, semidilute, and concentrated solution through the exploration of novel methods of data fitting and analysis. Multiple SANS fitting workflows with varying levels of model assumptions were evaluated and compared to give insight into SANS model selection. These fitting pathways ranged from general, model-free algorithms to more standard form and structure factor fitting. In addition, Monte Carlo bootstrapping was evaluated as a method to estimate parameter uncertainty through simulation of technical replicates. The most robust fitting workflow for dilute solutions was found to be form factor fitting without CV-SANS ( i.e. polymer in 100% D 2 O). For semidilute and concentrated solutions, while the model-free approach can be mathematically defined for CV-SANS data, the addition of a structure factor imposes physical constraints on the optimization problem, suggesting that the optimal fitting pathway should include appropriate form and structure factor models. The measured hydration numbers were consistent with the number of tightly bound water molecules associated with each monomer unit, and the concentration dependence of the hydration number was largely governed by the chemistry-specific interactions between water and polymer. Polymers with weaker water–polymer interactions ( i.e. those with fewer hydration water molecules) were found to have more bound water at higher concentrations than those with stronger water–polymer interactions due to the increase in the number of forced water–polymer contacts in the concentrated system. This SANS-based method to count hydration water molecules can be applied to polymers in any concentration regime, which will lead to improved understanding of water–polymer interactions and their impact on materials design.

36 MATERIALS SCIENCE↗
DOE OSTI2020

GEANT4 parameter tuning using Professor

The GEANT4 toolkit is used extensively in high energy physics to simulate the passage of particles through matter and to predict effects such as detector efficiencies and smearing. GEANT4 uses many underlying models to predict particle interaction kinematics, and uncertainty in these models leads to uncertainty in high energy physics measurements. The GEANT4 collaboration recently made free parameters in some models accessible through partnership with GEANT4 developers. We present a study of the impact of varying parameters in three GEANT4 hadronic physics models on agreement with thin target datasets and describe fits to these datasets using the Professor model tuning framework [1]. We find that varying parameters produces substantially better agreement with some datasets, but that more degrees of freedom are required for full agreement. This work is a first step towards a common framework for propagating uncertainties in GEANT4 models to high energy physics measurements, and we outline future work required to complete that goal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Chain trajectories, domain shapes, and terminal boundaries in block copolymers

The packing geometry of macromolecules in complex mesophases is of key importance to self-organization in synthetic and biological soft materials. While approximate or heuristic models rely on often-untested assumptions about how flexible molecules “fit in” to distinct locations of complex assemblies, physical assemblies derive from ensembles of fluctuating conformations, obscuring the connection between mesophase geometry and the underlying arrangements. Here, we present an approach to extract and analyze features of molecular packing in diblock block copolymer (BCP) melts, a prototypical soft matter system, based on the statistical description of chain conformations in self-consistent field (SCF) theory. We show how average BCP chain trajectories in ordered morphologies can be analyzed from the SCF-derived orientational order parameter of chain segments. We use these extracted trajectories to analyze the features of local packing geometry, including chain bending and tilt, as well as the terminal boundaries that delineate distinct domains in ordered BCP morphologies. In conclusion, we illustrate this analysis by focusing on measurable features of packing frustration in 2D (columnar) and 3D (spherical and bicontinuous) morphologies, notably establishing an explicit link between chain conformations in complex morphologies and their medial geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A unified neural-network framework for nucleon imaging from numerical simulations of QCD

Parton distributions encode the momentum-space structure and, in their generalizations, the spatial tomography of quarks and gluons inside hadrons, the building blocks of visible matter. We present a unified neural-network approach that learns these distributions directly from matrix elements calculated via numerical simulations of quantum chromodynamics (QCD) on the lattice by fitting two complementary inputs simultaneously: data matched to physical quantities via known momentum-space and coordinate-space formalisms. Utilizing data from both methods stabilizes the extraction and mitigates biases that can arise when either is used alone. We validate the method on controlled mock data and apply it to lattice-QCD matrix elements to extract parton distribution functions (PDFs). We show benefits of such an approach for determining the physical quantities. We further extend the framework to zero-skewness generalized parton distributions and demonstrate nucleon tomography within the same neural-network parameterization. Our results provide an adaptable and systematically improvable approach for extracting partonic distributions from Euclidean correlators. It can incorporate polarization, additional channels, and future experimental constraints from current and future facilities, such as the Electron-Ion Collider.

Hadronic Spectroscopy↗
DOE OSTI2022

Wire-coil insert optimization for high-heat-load/flux synchrotron components

Many synchrotron components require high levels of internal-flow, forced-convection heat transfer to minimize surface temperatures, thermal gradients, and thermally induced stress on high-power beam-interacting surfaces. Wire-coil inserts, physically similar to a common spring, are mechanically fitted inside of component cooling passages to optimize heat transfer performance. They are routinely used in Advanced Photon Source (APS) front end and beamline high-heat-load/flux components to significantly enhance convection heat transfer-up to 400% compared to plain open passages. This has the additional benefit of greatly reducing coolant flow requirements for these components. Using several cooling passage sizes, five different wire sizes, and a range of pitch values, an experimental investigation conducted at the APS has determined the average heat transfer coefficient and resulting pressure loss as a function of water flow rate for 65 different wire-coil inserts. Data from this study have been non-dimensionalized and generalized to yield relationships that can be used to determine the heat transfer performance and resulting pressure loss for any given wire-coil insert that may be used at the APS. Through data reduction, the wire-coil insert characteristic dimensions have also been optimized to yield the highest heat transfer enhancement while minimizing the coolant flow requirements. These generalized expressions for wirecoil inserts will be presented, and they can be used by scientists and engineers during the component design process to evaluate achievable heat transfer performance and associated pressure loss, aiding in the establishment of optimized operating parameters and cooling passage flow distribution schemes.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

End block dynamics in unentangled polymers by dielectric spectroscopy

Dielectric spectroscopy measures the dynamics of polymer melts over a broad frequency range. Developing a theory for the spectral shape can extend the analysis of dielectric spectra beyond determining relaxation times from the peak maxima and adds physical meaning to shape parameters determined with empirical fit functions. Toward this goal, we use the experimental results on unentangled poly(isoprene), and unentangled poly(butylene oxide), polymer melts, to test whether the concept of end blocks could be one reason for the Rouse model deviating from experimental data. These end blocks have been suggested by simulations and neutron spin echo spectroscopy and are a consequence of the monomeric friction coefficient depending on the position of the bead in the chain. The concept of an end block is an approximation which partitions the chain in a middle and two end blocks to avoid overparameterization by a continuous position dependent change of the friction parameter. Analysis of dielectric spectra shows that the deviations of the calculated from the experimental normal mode cannot be related to the end block relaxation. However, the results do not contradict an end block hiding below the segmental relaxation peak. Finally, it seems that the results are compatible with an end block being the specific part of the sub-Rouse chain interpretation close to the chain ends.

36 MATERIALS SCIENCE↗
DOE OSTI2025

DESI 2024 III: baryon acoustic oscillations from galaxies and quasars

We present the DESI 2024 galaxy and quasar baryon acoustic oscillations (BAO) measurements using over 5.7 million unique galaxy and quasar redshifts in the range 0.1 < z < 2.1. Divided by tracer type, we utilize 300,017 galaxies from the magnitude-limited Bright Galaxy Survey with 0.1 < z < 0.4, 2,138,600 Luminous Red Galaxies with 0.4 < z < 1.1, 2,432,022 Emission Line Galaxies with 0.8 < z < 1.6, and 856,652 quasars with 0.8 < z < 2.1, over a ∼ 7,500 square degree footprint. The analysis was blinded at the catalog-level to avoid confirmation bias. All fiducial choices of the BAO fitting and reconstruction methodology, as well as the size of the systematic errors, were determined on the basis of the tests with mock catalogs and the blinded data catalogs. We present several improvements to the BAO analysis pipeline, including enhancing the BAO fitting and reconstruction methods in a more physically-motivated direction, and also present results using combinations of tracers. We employ a unified BAO analysis method across all tracers. We present a re-analysis of SDSS BOSS and eBOSS results applying the improved DESI methodology and find scatter consistent with the level of the quoted SDSS theoretical systematic uncertainties. With the total effective survey volume of ∼ 18 Gpc3, the combined precision of the BAO measurements across the six different redshift bins is ∼0.52%, marking a 1.2-fold improvement over the previous state-of-the-art results using only first-year data. We detect the BAO in all of these six redshift bins. The highest significance of BAO detection is 9.1σ at the effective redshift of 0.93, with a constraint of 0.86% placed on the BAO scale. We find that our observed BAO scales are systematically larger than the prediction of the Planck 2018-ΛCDM at z < 0.8. We translate the results into transverse comoving distance and radial Hubble distance measurements, which are used to constrain cosmological models in our companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Modeling Water Electrolysis in Bipolar Membranes

Bipolar membranes (BPMs) have proven useful in numerous electrochemical energy conversion and storage applications, including fuel cells and electrolyzers. However, water dissociation in bipolar membrane electrolysis cells (BPMECs) is a complicated phenomenon that occurs via several different pathways. In this work, we develop a model based on the Poisson-Nernst-Planck system that includes a multistep water-dissociation mechanism to observe the fundamental processes that contribute to BPMEC performance. The model, which is validated to in-house experimental data, demonstrates that the junction potential is the most significant contributor to the total electrolysis voltage. We investigated the effects of water-dissociation catalysts and found that the optimal catalyst $p{K}_{a}$ depends on how the catalyst is integrated into the BPM (although values near 7 are typically best, in accordance with conventional wisdom). We also simulated the water content across the BPM and found that dry-out is not a significant issue when the membrane is in contact with liquid water on both sides. The species conservation approach taken here leads to a physical understanding of the system without using any fitting parameters.

25 ENERGY STORAGE↗
DOE OSTI2025

Overview of the SCEC/USGS Community Stress Drop Validation Study Using the 2019 Ridgecrest Earthquake Sequence

We present initial findings from the ongoing Community Stress Drop Validation Study to compare spectral stress-drop estimates for earthquakes in the 2019 Ridgecrest, California, sequence. This study uses a unified dataset to independently estimate earthquake source parameters through various methods. Stress drop, which denotes the change in average shear stress along a fault during earthquake rupture, is a critical parameter in earthquake science, impacting ground motion, rupture simulation, and source physics. Spectral stress drop is commonly derived by fitting the amplitude-spectrum shape, but estimates can vary substantially across studies for individual earthquakes. Sponsored jointly by the U.S. Geological Survey and the Statewide (previously, Southern) California Earthquake Center our community study aims to elucidate sources of variability and uncertainty in earthquake spectral stress-drop estimates through quantitative comparison of submitted results from independent analyses. The dataset includes nearly 13,000 earthquakes ranging from M 1 to 7 during a two-week period of the 2019 Ridgecrest sequence, recorded within a 1° radius. Here, in this article, we report on 56 unique submissions received from 20 different groups, detailing spectral corner frequencies (or source durations), moment magnitudes, and estimated spectral stress drops. Methods employed encompass spectral ratio analysis, spectral decomposition and inversion, finite-fault modeling, ground-motion-based approaches, and combined methods. Initial analysis reveals significant scatter across submitted spectral stress drops spanning over six orders of magnitude. However, we can identify between-method trends and offsets within the data to mitigate this variability. Averaging submissions for a prioritized subset of 56 events shows reduced variability of spectral stress drop, indicating overall consistency in recovered spectral stress-drop values.

58 GEOSCIENCES↗
NASA NTRS1990

On the numerical solution of the dynamically loaded hydrodynamic lubrication of the point contact problem

The transient analysis of hydrodynamic lubrication of a point-contact is presented. A body-fitted coordinate system is introduced to transform the physical domain to a rectangular computational domain, enabling the use of the Newton-Raphson method for determining pressures and locating the cavitation boundary, where the Reynolds boundary condition is specified. In order to obtain the transient solution, an explicit Euler method is used to effect a time march. The transient dynamic load is a sinusoidal function of time with frequency, fractional loading, and mean load as parameters. Results include the variation of the minimum film thickness and phase-lag with time as functions of excitation frequency. The results are compared with the analytic solution to the transient step bearing problem with the same dynamic loading function. The similarities of the results suggest an approximate model of the point contact minimum film thickness solution.

Lim, Sang G.↗
NASA NTRS1996

Flow structure generated by perpendicular blade-vortex interaction and implications for helicopter noise prediction. Volume 1: Measurements

The perpendicular interaction of a streamwise vortex with an infinite span helicopter blade was modeled experimentally in incompressible flow. Three-component velocity and turbulence measurements were made using a sub-miniature four sensor hot-wire probe. Vortex core parameters (radius, peak tangential velocity, circulation, and centerline axial velocity deficit) were determined as functions of blade-vortex separation, streamwise position, blade angle of attack, vortex strength, and vortex size. The downstream development of the flow shows that the interaction of the vortex with the blade wake is the primary cause of the changes in the core parameters. The blade sheds negative vorticity into its wake as a result of the induced angle of attack generated by the passing vortex. Instability in the vortex core due to its interaction with this negative vorticity region appears to be the catalyst for the magnification of the size and intensity of the turbulent flowfield downstream of the interaction. In general, the core radius increases while peak tangential velocity decreases with the effect being greater for smaller separations. These effects are largely independent of blade angle of attack; and if these parameters are normalized on their undisturbed values, then the effects of the vortex strength appear much weaker. Two theoretical models were developed to aid in extending the results to other flow conditions. An empirical model was developed for core parameter prediction which has some rudimentary physical basis, implying usefulness beyond a simple curve fit. An inviscid flow model was also created to estimate the vorticity shed by the interaction blade, and to predict the early stages of its incorporation into the interacting vortex.

Wittmer, Kenneth S.↗
NASA NTRS2002

Studies of Dust Emission as Measured by DIRBE and IRAS

The main activity supported by this grant was to make the dust reddening map more useful for optical and microwave astronomy, and to increase our understanding of interstellar dust in general. We completed all the major objectives of the proposal, and we are eagerly awaiting the launch of Space Infrared Telescope Facility (SIRTF) so that we can check one of our most controversial conclusions. According to the ADS abstract service, the above paper has been cited 895 times. A number of authors have claimed the SFD98 dust maps are miscalibrated, but recent work suggests that the calibration is correct. The primary goal of this ADP grant was to determine the microwave / sum-mm spectrum of interstellar dust emission by cross-correlating the Far Infrared Absolute Spectrophotometer (FIRAS) spectra with a model based on the SFD98 dust map. Because of temperature variation, large (factor of two) variations are observed in submillimeter / 100 micron ratio, so a careful accounting of dust temperature data, based on Diffuse Infrared Background Experiment (DIRBE) 100 and 240 micron channels, was required. Even this improvement was unable to reduce the chi(sup 2) per degree of freedom below 30. Further study revealed that a two-component model, with the two components having different (but reasonable) optical properties, achieved a decrease in chi(sup 2) to less than 2, five times better than the next best fit in the literature. The resulting model uses density and temperature estimates based on DIRBE data, with only four global parameters fit using the FIRAS data. This dramatic reduction in chi(sup 2) using only four fit parameters may indicate that the model is physically correct, but in any case, it is an acceptable phenomenological model. We have released the appropriate data and software on our website (http://astro.berkeley.edu/dust) to allow users to compute the interstellar dust emission between from 100-3000 GHz (or 100 micron 3 mm) with approx. 15% precision. The paper describing these efforts appeared in ApJ 524, 867. This paper has to date been cited 24 times.

Davis, Marc↗
NASA NTRS2018

Seeing Double: ASASSN-18bt Exhibits a Two-component Rise in the Early-time K2 Light Curve

On 2018 February 4.41, the All-Sky Automated Survey for SuperNovae (ASAS-SN) discovered ASASSN-18bt in the K2 Campaign 16 field. With a redshift of z=0.01098 and a peak apparent magnitude of B(max)=14.31, ASASSN-18bt is the nearest and brightest SNe Ia yet observed by the Kepler spacecraft. Here we present the discovery of ASASSN-18bt, the K2 light curve, and prediscovery data from ASAS-SN and the Asteroid Terrestrial-impact Last Alert System. The K2 early-time light curve has an unprecedented 30-minute cadence and photometric precision for an SN Ia light curve, and it unambiguously shows a ∼4 day nearly linear phase followed by a steeper rise. Thus, ASASSN-18bt joins a growing list of SNe Ia whose early light curves are not well described by a single power law. We show that a double-power-law model fits the data reasonably well, hinting that two physical processes must be responsible for the observed rise. However, we find that current models of the interaction with a nondegenerate companion predict an abrupt rise and cannot adequately explain the initial, slower linear phase. Instead, we find that existing published models with shallow 56Ni are able to span the observed behavior and, with tuning, may be able to reproduce the ASASSN-18bt light curve. Regardless, more theoretical work is needed to satisfactorily model this and other early-time SNe Ia light curves. Finally, we use Swift X-ray nondetections to constrain the presence of circumstellar material (CSM) at much larger distances and lower densities than possible with the optical light curve. For a constant-density CSM, these nondetections constrain ρ<4.5×10(exp 5)per cu.cm at a radius of 4×10(exp 15) cm from the progenitor star. Assuming a wind-like environment, we place mass loss limits of M˙ < 8 x 10(exp -6) M(ʘ)per yr for v(w)=100 km/s, ruling out some symbiotic progenitor systems. This work highlights the power of well-sampled early-time data and the need for immediate multiband, high-cadence follow-up for progress in understanding SNe Ia.

B. J. Shappee↗
DOE OSTI2024

Physics-Based Machine Learning Methods for U-235 Forensics Signatures

Signatures of low-intensity U-235 sources have been recently studied by utilizing a variety of machine learning (ML) classifiers using features derived from gamma spectral measurements collected under structured campaigns. Several ML classifiers, such as ensemble of tress and classification trees, revealed misleadingly-optimistic training error due to over-fitting, and furthermore, their performance is not directly relatable to the physical properties due to their data-driven, opaque designs. We present a regression-based ML method that first estimates the inverse distance to the source and then utilizes a threshold to infer its presence, by representing the background as a source located at an infinite distance. For the inverse distance estimation, we study the ensemble of trees and Gaussian process regression methods, and a hyper parameter auto-tuning and selection method that employs five regression estimators. These methods avoid the over-fitting observed in several ML classifiers, while providing the classification error nearly comparable to them based on independent test data. Their error is directly related to estimates of the inverse physical distance to source, and the precision of error determines the seperability property that determines the false alarm and missed detection rates. The property of monotonic decrease of the source strength with increasing detector distance combined with Poisson distribution of measurements is utilized to analytically validate these methods by deriving the generalization equations of underlying regression methods.

Rao, Nageswara↗