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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A New Method for the Evaluation of Majority and Minority Carrier Contact Resistivity of Polysilicon on Oxide Contacts

In this contribution we present a novel technique for characterizing the majority and minority carrier contact resistivity in polysilicon on oxide passivating contacts. Traditionally, contact resistivity is measured through the Transfer Length Method (TLM). This method presents difficulties when measuring the minority carrier contact due to the presence of a blocking diode which prevents current flow between the pads. Our novel method is performed by creating a unipolar device which has the same contact on both sides (either symmetric n-type or symmetric p-type) and metalizing the device with a grid on one side, and a full metal contact on the back (the same pattern that will be used in a final cell). We then measure the resistance across the device at increasing illumination. Since the resistivity of the wafer is a function of carrier density, when increasing illumination, the wafer resistivity decreases. We can then fit modeling equations to the measured resistivity and extrapolate the fit to infinite illumination where only the contact resistivity is measured to accurately measure both the minority and majority carrier contact resistivity.

current measurement↗
DOE OSTI2020

Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX

Deformation twinning is an active deformation mechanism during loading along certain crystallographic directions of β-cyclotetramethylene tetranitramine (β-HMX). In this work, a finite strain thermomechanical model is extended to include twinning as a deformation mechanism in addition to plastic slip. The stress is derived from the free energy expression including a term representing the equation of state. The crystal plasticity framework is used to divide the total strain into inelastic and elastic component, where the elastic part is used in the expression for the free energy. The twin systems are treated as pseudo slip systems and the shear rate on the twin systems is evaluated in terms of the twin resistance and the projection of the stress tensor. The model parameters were calibrated against a set of plate impact experiments performed on β-HMX by Dick et al. The remaining plate impact experiments are used to evaluate the predictive capability of the model. The quality of the model fits and predictions is discussed from a physical and modeling perspective. Particularly, the role of twin modeling on results is highlighted. Finally, the model is used to explore the relationship between the propensity for twinning and crystal orientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The radial profile and flattening of the Milky Way’s stellar halo to 80 kpc from the SEGUE K-giant survey

We characterize the radial density, metallicity, and flattening profile of the Milky Way’s stellar halo, based on the large sample of spectroscopically confirmed giant stars from SDSS/SEGUE-2, spanning galactocentric radii 10 kpc ≤ r{sub GC} ≤ 80 kpc. After excising stars that were algorithmically attributed to apparent halo substructure (including the Sagittarius stream), the sample has 1757 K giants, with a typical metallicity precision of 0.2 dex and a mean distance accuracy of 16%. Compared to blue horizontal branch stars or RR Lyrae variables, giants are more readily understood tracers of the overall halo star population, with less bias in age or metallicity. The well-characterized selection function of the sample enables forward modeling of those data, based on ellipsoidal stellar density models, ν{sub *}(R, z), with Einasto profiles and (broken) power laws for their radial dependence, combined with a model for the metallicity gradient and the flattening profile. Among models with constant flattening, these data are reasonably well fit by an Einasto profile of n = 3.1 ± 0.5 with an effective radius r{sub eff}=15±2 kpc and a flattening of q = 0.7 ± 0.02, or comparably well by an equally flattened broken power law, with radial slopes of α{sub in} = 2.1 ± 0.3 and α{sub out} = 3.8 ± 0.1, with a break radius of r{sub break} = 18 ± 1 kpc; this is largely consistent with earlier work. We find a modest but significant metallicity gradient within the “outer” stellar halo, [Fe/H] decreasing outward. If we allow for a variable flattening q=f(r{sub GC}), we find the distribution of halo giants to be considerably more flattened at small radii, q(10 kpc) = 0.55 ± 0.02, compared to q(>30 kpc) = 0.8 ± 0.03. Remarkably, the data are then very well fit by a single power law with index of 4.2 ± 0.1 on the variable r{sub q}≡√(R{sup 2}+(z/q(r)){sup 2}). In this simple and better-fitting model, there is a break in flattening at ∼20 kpc, instead of a break in the radial density function. While different parameterizations of the radial profile vary in their parameters, their implied density gradient, ∂lnν{sub ∗}/∂lnr, is stable along a direction intermediate between major and minor axis; this gradient is crucial in any dynamical modeling that uses halo stars as tracers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Atomic scale simulations for improved CRUD and fuel performance modeling

A more mechanistic description of fuel performance codes can be achieved by deriving models and parameters from atomistic scale simulations rather than fitting models empirically to experimental data. The same argument applies to modeling deposition of corrosion products on fuel rods (CRUD). Here are some results from publications in 2016 carried out using the CASL allocation at LANL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

A Census of Star Formation in the Outer Galaxy. II. The GLIMPSE360 Field

We have conducted a study of star formation in the outer Galaxy from 65°< l < 265° in the region observed by the GLIMPSE360 program. This Spitzer warm mission program mapped the plane of the outer Milky Way with IRAC at 3.6 and 4.5 μm. We combine the IRAC, Wide-field Infrared Survey Explorer (WISE), and Two Micron All Sky Survey catalogs and our previous results from another outer Galaxy survey and identify a total of 47,338 young stellar objects (YSOs) across the field spanning >180° in Galactic longitude. Using the DBSCAN method on the combined catalog, we identify 618 clusters or aggregations of YSOs having five or more members. We identify 10,476 class I, 29,604 class II, and 7325 anemic class II/class III YSOs. The ratio of YSOs identified as members of clusters was 25,528/47,338, or 54%. We found that 100 of the clusters identified have previously measured distances in the WISE H ii survey. We used these distances in our spectral energy distribution (SED) fitting of the YSOs in these clusters, of which 96 had YSOs with <3σ fits. We used the derived masses from the SED model fits to estimate the initial mass function (IMF) in the inner and outer Galaxy clusters; dividing the clusters by galactocentric distances, the slopes were Γ = 1.87 ± 0.31 above 3 M {sub ⊙} for R {sub Gal} < 11.5 kpc and Γ = 1.15 ± 0.24 above 3 M {sub ⊙} for R {sub Gal} > 11.5 kpc. The slope of the combined IMF was found to be Γ = 1.92 ± 0.42 above 3 M {sub ⊙}. These values are consistent with each other within the uncertainties and with literature values in the inner Galaxy high-mass star formation regions. The slopes are likely also consistent with a universal Salpeter IMF.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

climextremes v0.2.1

Software package for R and Python for analysis of extremes in climate data. Functions for fitting GEV and POT (via point process fitting) models for extremes in climate data, providing return values, return probabilities, and return periods for stationary and nonstationary models. Also provides differences in return values and differences in log return probabilities for contrasts of covariate values. Functions for estimating risk ratios for event attribution analyses, including uncertainty. Under the hood, many of the functions use functions from 'extRemes', including for fitting the statistical models.

Krishnan, Harinarayan↗
DOE OSTI2016

In situ synchrotron powder diffraction study of the setting reaction kinetics of magnesium-potassium phosphate cements

This work reports a kinetic study of the formation of magnesium-potassium phosphate cements accomplished using in-situ synchrotron powder diffraction. The reaction: MgO + KH{sub 2}PO{sub 4} + 5H{sub 2}O → MgKPO{sub 4} · 6H{sub 2}O was followed in situ in the attempt of contributing to explain the overall mechanism and assess the influence of periclase (MgO) grain size and calcination temperature (1400-1600 °C) on the reaction kinetics. Numerical kinetic parameters for the setting reaction have been provided for the first time. The best fit to the kinetic data was obtained using a weighted nonlinear model fitting method with two kinetic equations, representing two consecutive, partially overlapping processes. MgO decomposition could be described by a first order (F1) model followed by a Jander diffusion (D3) controlled model. Crystallization of the product of reaction was modelled using an Avrami model (A{sub n}) followed by a first order (F1) chemical reaction. A reaction mechanism accounting for such results has been proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Measurements and Simulations of Neutron Emission Versus Deuterium Filling Pressure in Plasma Focus Device PF-24

A series of experiments were carried out using the middle energy (dense) plasma focus device PF-24 with deuterium as a working gas under pressure in a range between 2 and 5 mbar for 17 kV of charging voltage. The relationship between these operating deuterium pressures in reference to the total neutron yield (Y{sub n}) was estimated. The 5-phase Lee code was used to simulate the measured discharge current and neutron yield (Y{sub n}) using a phenomenological beam-target neutron generating mechanism, which was incorporated in the model. Comparison of the Y{sub n} versus pressure using fitted model parameters was made at each point of pressure. The good agreement between measured and computed Y{sub n} values was achieved for discharges with lower neutron emission. The measured Y{sub n} (below 2.6 × 10{sup 9} n/discharge—the median value) has been reproducible by the model for 73% of simulated discharges, while above the median value its prediction were incorrect. The kinetic plasma parameters which were measured and computed using the Lee code for different pressures are: the time to a current sheath collapse (t{sub c}), the average axial current sheath velocity (v{sub z}) and the so called velocity factor (RF). Good agreement was found in the whole range of deuterium pressures between the computed and measured results for these kinematic quantities. Presented findings in this work suggest that the character of neutron emission is more complex than it would seem from classical interpretation of neutron production based on a beam-target model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Crust and Upper Mantle Structure Beneath the Eastern United States

Abstract The Eastern United States (EUS) has a complex geological history and hosts several seismic active regions. We investigate the subsurface structure beneath the broader EUS. To produce reliable images of the subsurface, we simultaneously invert smoothed P‐wave receiver functions, Rayleigh‐wave phase and group velocity measurements, and Bouguer gravity observations for the 3D shear‐wave speed. Using surface‐wave observations (3–250 s) and spatially smoothed receiver functions, our velocity models are robust, reliable, and rich in detail. The shear‐wave velocity models fit all three types of observations well. The resulting velocity model for the eastern U.S. shows thinner crust beneath New England, the east coast, and the Mississippi Embayment (ME). A relatively thicker crust was found beneath the stable North America craton. A relatively slower upper mantle was imaged beneath New England, the east coast, and western ME. A comparison of crust thickness derived from our model against four recent published models shows first‐order consistency. A relatively small upper mantle low‐speed region correlates with a published P‐wave analysis that has associated the anomaly with a 75 Ma kimberlite volcanic site in Kentucky. We also explored the relationship between the subsurface structure and seismicity in the eastern U.S. We found that earthquakes often locate near regions with seismic velocity variations, but not universally. Not all regions of significant subsurface wave speed changes are loci of seismicity. A weak correlation between upper mantle shear velocity and earthquake focal mechanism has been observed.

58 GEOSCIENCES↗
DOE OSTI2022

Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction

Amorphous bulk metallic glasses with the composition Fe 48 Cr 15 Mo 14 C 15 B 6 Y 2 have been of interest due to their special mechanical and electronic properties, including corrosion resistance, high yield-strength, large elasticity, catalytic performance, and soft ferromagnetism. Here, we apply a reverse Monte Carlo technique to unravel the atomic structure of these glasses. The pair-distribution functions for various atomic pairs are computed based on the high-energy x-ray diffraction data we have taken from an amorphous sample. Monte Carlo cycles are used to move the atomic positions until the model reproduces the experimental pair-distribution function. The resulting fitted model is consistent with our ab initio simulations of the metallic glass. Our study contributes to the understanding of functional properties of Fe-based bulk metallic glasses driven by disorder effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Mechanistic Modeling of Creep and Aging for Time Extrapolation in LPBF 316 SS - LANL

A polycrystal constitutive model was extended to quantify the effects heterogeneity in the microstructure, porosity, and internal stresses on the mechanical response (creep, tensile) of 316H steel processed by additive manufacturing. The starting point is a recently developed and fully calibrated advanced microstructuresensitive mechanistic constitutive model fit to literature data pertaining to conventionally processed steels. The model is embedded within the full field fast Fourier transform framework (LApx) and several hundred simulations were performed. Synthetic microstructures with different grain aspect ratios were generated using the Neper package to study the role of grain morphology on the mechanical responses. The effect of initial cell interior dislocation density, cell-wall density, precipitate content, porosity, and internal stresses on creep rates are quantified for different polycrystalline microstructures. The study allowed to prospectively quantify the role of distinct features of the microstructure on the mechanical response under tension and creep loading scenarios. Critically it is found that minor anisotropies in the tensile response of samples, emanating from the aspect ratio of grains correlated into significant differences in creep rate as a function of loading directions. The study also allows to identify initial microstructure porosities below which the materials response only moderately degraded by the initial microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Multi-wavelength observations of GRB 111228A and implications for the fireball and its environment

Observations of very early multi-wavelength afterglows are critical to reveal the properties of the radiating fireball and its environment as well as the central engine of gamma-ray bursts (GRBs). We report our optical observations of GRB 111228A from 95 s to about 50 hr after the burst trigger and investigate its properties of the prompt gamma-rays and the ambient medium using our data and the data from the Swift and Fermi missions. Our joint optical and X-ray spectral fits to the afterglow data show that the ambient medium features a low dust-to-gas ratio. Incorporating the energy injection effect, our best fit to the afterglow light curves with the standard afterglow model via the Markov Chain Monte Carlo technique shows that ϵ{sub e}=(6.9±0.3)×10{sup −2}, ϵ{sub B}=(7.73±0.62)×10{sup −6},E{sub K}=(6.32±0.86)×10{sup 53} erg, n=0.100±0.014 cm{sup −3}. The low medium density likely implies that the afterglow jet may be in a halo or in a hot ISM. A chromatic shallow decay segment observed in the optical and X-ray bands is well explained with the long-lasting energy injection from the central engine, which would be a magnetar with a period of about 1.92 ms inferred from the data. The E{sub p} of its time-integrated prompt gamma-ray spectrum is ∼26 KeV. Using the initial Lorentz factor (Γ{sub 0}=476{sub −237}{sup +225}) derived from our afterglow model fit, it is found that GRB 111228A satisfies the L{sub iso}−E{sub p,z}−Γ{sub 0} relation and bridges the typical GRBs and low luminosity GRBs in this relation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

RELICS: A Strong Lens Model for SPT-CLJ0615–5746, a z = 0.972 Cluster

In this work, we present a lens model for the cluster SPT-CLJ0615-5746, which is the highest-redshift ( z = 0.972) system in the Reionization of Lensing Clusters Survey, making it the highest-redshift cluster for which a full, strong lens model is published. We identify three systems of multiply imaged lensed galaxies, two of which we spectroscopically confirm at z = 1.358 and z = 4.013, which we use as constraints for the model. We find a foreground structure at z ~ 0.4, which we include as a second cluster-sized halo in one of our models; however, two different statistical tests find the best-fit model consists of one cluster-sized halo combined with three individually optimized galaxy-sized halos, as well as contributions from the cluster galaxies themselves. We find the total projected mass density within r = 26 7 (the region where the strong lensing constraints exist) to be M ⊙ . If we extrapolate out to r 500 , our projected mass density is consistent with the mass inferred from weak lensing and from the Sunyaev–Zel'dovich effect ( M ~ 10 15 M ⊙ ). This cluster is lensing a previously reported z ~ 10 galaxy, which, if spectroscopically confirmed, will be the highest-redshift strongly lensed galaxy known.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Functional Principal Component Analysis of Radio–Optical Reference Frame Tie

The Gaia optical reference frame is intrinsically undefined with respect to global orientation and spin, so it needs to be anchored in the radio-based International Celestial Reference Frame (ICRF) to provide a referenced and quasi-inertial celestial coordinate system. The link between the two fundamental frames is realized through two samples of distant extragalactic sources, mostly active galactic nuclei and quasars, but only the smaller sample of radio-loud ICRF sources with optical counterparts is available to determine the mutual orientation. The robustness of this link can be mathematically formulated in the framework of functional principal component analysis using a set of vector spherical harmonics to represent the differences in celestial positions of the common objects. The weakest eigenvectors are computed, which describe the greatest deficiency of the link. The deficient or poorly determined terms are specific vector fields on the sphere that carry the largest errors of absolute astrometry using Gaia in reference to the ICRF. This analysis provides guidelines for the future development of the ICRF maximizing the accuracy of the link over the entire celestial sphere. A measure of the robustness of a least-squares solution, which can be applied to any linear model fitting problem, is introduced to help discriminate between reference frame tie models of different degrees.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Non-local gravity and comparison with observational datasets

We study the cosmological predictions of two recently proposed non-local modifications of General Relativity. Both models have the same number of parameters as ΛCDM, with a mass parameter m replacing the cosmological constant. We implement the cosmological perturbations of the non-local models into a modification of the CLASS Boltzmann code, and we make a full comparison to CMB, BAO and supernova data. We find that the non-local models fit these datasets very well, at the same level as ΛCDM. Among the vast literature on modified gravity models, this is, to our knowledge, the only example which fits data as well as ΛCDM without requiring any additional parameter. For both non-local models parameter estimation using Planck +JLA+BAO data gives a value of H{sub 0} slightly higher than in ΛCDM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

NEW CONSTRAINTS ON THE BLACK HOLE LOW/HARD STATE INNER ACCRETION FLOW WITH NuSTAR

We report on an observation of the Galactic black hole candidate GRS 1739–278 during its 2014 outburst, obtained with NuSTAR. The source was captured at the peak of a rising ''low/hard'' state, at a flux of ∼0.3 Crab. A broad, skewed iron line and disk reflection spectrum are revealed. Fits to the sensitive NuSTAR spectra with a number of relativistically blurred disk reflection models yield strong geometrical constraints on the disk and hard X-ray ''corona''. Two models that explicitly assume a ''lamp post'' corona find its base to have a vertical height above the black hole of h=5{sub −2}{sup +7} GM/c{sup 2} and h = 18 ± 4 GM/c {sup 2} (90% confidence errors); models that do not assume a ''lamp post'' return emissivity profiles that are broadly consistent with coronae of this size. Given that X-ray microlensing studies of quasars and reverberation lags in Seyferts find similarly compact coronae, observations may now signal that compact coronae are fundamental across the black hole mass scale. All of the models fit to GRS 1739–278 find that the accretion disk extends very close to the black hole—the least stringent constraint is r{sub in}=5{sub −4}{sup +3} GM/c{sup 2}. Only two of the models deliver meaningful spin constraints, but a = 0.8 ± 0.2 is consistent with all of the fits. Overall, the data provide especially compelling evidence of an association between compact hard X-ray coronae and the base of relativistic radio jets in black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

A two-phase substrate model for enzymatic hydrolysis of lignocellulose: application to batch and continuous reactors

Abstract Background Enzymatic hydrolysis continues to have a significant projected production cost for the biological conversion of biomass to fuels and chemicals, motivating research into improved enzyme and reactor technologies in order to reduce enzyme usage and equipment costs. However, technology development is stymied by a lack of accurate and computationally accessible enzymatic-hydrolysis reaction models. Enzymatic deconstruction of cellulosic materials is an exceedingly complex physico-chemical process. Models which elucidate specific mechanisms of deconstruction are often too computationally intensive to be accessible in process or multi-physics simulations, and empirical models are often too inflexible to be effectively applied outside of their batch contexts. In this paper, we employ a phenomenological modeling approach to represent rate slowdown due to substrate structure (implemented as two substrate phases) and feedback inhibition, and apply the model to a continuous reactor system. Results A phenomenological model was developed in order to predict glucose and solids concentrations in batch and continuous enzymatic-hydrolysis reactors from which liquor is continuously removed by ultrafiltration. A series of batch experiments were performed, varying initial conditions (solids, enzyme, and sugar concentrations), and best-fit model parameters were determined using constrained nonlinear least-squares methods. The model achieved a good fit for overall sugar yield and insoluble solids concentration, as well as for the reduced rate of sugar production over time. Additionally, without refitting model coefficients, good quantitative agreement was observed between results from continuous enzymatic-hydrolysis experiments and model predictions. Finally, the sensitivity of the model to its parameters is explored and discussed. Conclusions Although the phenomena represented by the model correspond to behaviors that emerge from clusters of mechanisms, and hence a set of model coefficients are unique to the substrate and the enzyme system, the model is efficient to solve and may be applied to novel reactor schema and implemented in computational fluid dynamics (CFD) simulations. Hence, this modeling approach finds the right balance between model complexity and computational efficiency. These capabilities have broad application to reactor design, scale-up, and process optimization.

09 BIOMASS FUELS↗
DOE OSTI2026

Bemnifosbuvir: An HCV NS5B Inhibitor With Multiple Modes of Action

Bemnifosbuvir (BEM) is a potent, pan-genotypic inhibitor targeting the hepatitis C virus (HCV) NS5B polymerase. Its antiviral activity was evaluated in an ascending dose phase I clinical trial involving 30 patients treated once a day for 7 days. After treatment initiation, plasma HCV RNA declined in a biphasic manner with a mean reduction of 2.3 log 10 IU/mL after 24 hours and 4.4 log10 IU/mL by day 7 for the highest dose. Alanine aminotransferase (ALT) also normalized in most patients. We employed a multiscale mathematical model fitted to the HCV RNA and ALT dynamics to quantify the antiviral activity and evaluate the modes of action of BEM. We found that models in which BEM only acted as a typical HCV RNA polymerase inhibitor and reduced the intracellular production of HCV RNA did not fit the data as well as models in which BEM had multiple modes of action, including suppressing viral assembly and secretion and enhancing intracellular HCV RNA degradation. BEM's effectiveness in inhibiting intracellular HCV RNA production increased with dose (150 mg/day: 88.2%, 300 mg/day: 98.8%, 600 mg/day: 99.5%), while inhibition of viral assembly and release was ~95% effective regardless of dose. We observed a dose-dependent enhancement in the degradation of intracellular HCV RNA, with degradation rates 1.5-fold higher in patients receiving 300 mg/day and 2.7-fold higher in those receiving 600 mg/day than in patients receiving 150 mg/day. No significant differences in antiviral activity were detected between HCV genotypes 1b and 3 or between patients with and without compensated cirrhosis.

59 BASIC BIOLOGICAL SCIENCES↗