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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Pair distribution function analysis of discrete nanomaterials in PDFgui

Pair distribution functions (PDFs) are a leading tool for atomic structure analysis of nanomaterials. However, the most widely used programs for refining atomic structure against PDF data are based on extended crystallographic models, which cannot be applied to discrete, whole nanoparticles. Furthermore, this work describes a straightforward approach to simulate and refine atomistic models of discrete clusters and nanoparticles employing widely used PDF modelling programs such as PDFgui that utilize extended crystallographic models. In this approach, the whole particle to be modelled is contained within an expanded, and otherwise empty, unit cell that is sufficiently large to avoid correlations between atoms in neighbouring unit cells over the r range analyzed. The PDF of the particle is simulated as a composite using two conventional `phases': one that calculates the atom–atom correlations and one that approximates the local number density. This approach is first validated for large nanoparticles that are well modelled by a conventional shape factor model, and then applied to simulate the PDF of discrete particles and low-dimensional materials (graphene and MXene) and to model the experimental PDF data for single-layer FeS nanosheets. A comparison of this approach with the DiffPy-CMI program, which calculates the PDF of discrete species, shows that the composite modelling approach is equally or more accurate. Example input files for implementing this approach within PDFgui and TOPAS, and recommendations for selecting model parameters for reliable application of this refinement strategy, are provided.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Study of Hind Limb Tissue Gas Phase Formation in Response to Suspended Adynamia and Hypokinesia

The purpose of this study was to investigate the hypothesis that reduced joint/muscle activity (hypo kinesia) as well as reduced or null loading of limbs (adynamia) in gravity would result in reduced decompression-induced gas phase and symptoms of decompression sickness (DCS). Finding a correlation between the two phenomena would correspond to the proposed reduction in tissue gas phase formation in astronauts undergoing decompression during extravehicular activity (EVA) in microgravity. The observation may further explain the reported low incidence of DCS in space.

Butler, Bruce D.↗
DOE OSTI2023

CSAPR2 cell-tracking data collected during TRACER

One of the challenges of analyzing convective cell properties is quick evolution of the individual convective cells. While the operational radar data provide great a data set to analyze the evolution of radar observables of convective precipitation clouds statistically, previous studies also suggested that, because of the quick evolution of cell life cycle, conventional radar volume scan strategies taking ~5-7 minutes might not capture the detailed evolution. The TRACER campaign deployed CSAPR2, which performed frequent update of RHI and sector PPI scans to track convective cells every < 2 minutes guided by a new cell-tracking framework, Multisensor Agile Adaptive Sampling (MAAS; Kollias et al. 2020). This allows for capturing fast-evolving radar observables. The submitted data files are CSAPR2 data in CfRadial format collected during the TRACER field campaign from June to September 2020. The data files include processed radar variables including: noise-masked reflectivity and differential reflectivity corrected for rain attenuation and systematic biases, noise-masked dealiased radial velocity, specific differential phase, locations of target cells (latitude, longitude, radar range), and radar-echo classification.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Evidence for a monolayer excitonic insulator

The interplay between topology and correlations can generate a variety of quantum phases, many of which remain to be explored. Recent advances have identified monolayer WTe 2 as a promising material for doing so in a highly tunable fashion. The ground state of this two-dimensional crystal can be electrostatically tuned from a quantum spin Hall insulator to a superconductor. However, much remains unknown about the gap-opening mechanism of the insulating state. In this work, we report evidence that the quantum spin Hall insulator is also an excitonic insulator, arising from the spontaneous formation of electron–hole bound states, namely excitons. We reveal the presence of an intrinsic insulating state at the charge neutrality point in clean samples and confirm the correlated nature of this charge-neutral insulator by tunnelling spectroscopy. We provide evidence against alternative scenarios of a band insulator or a localized insulator and support the existence of an excitonic insulator phase in the clean limit. These observations lay the foundation for understanding a new class of correlated insulators with nontrivial topology and identify monolayer WTe 2 as a promising candidate for exploring quantum phases of ground-state excitons.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Heavy element affinities in Apollo 17 samples

Pb-204, Bi, Tl, and Zn in samples from the Apollo 17 site exhibit relationships not found in samples from other sites. Pb-204, Tl, and Zn in residues remaining after dilute acid leaching are correlated with one another. Orange soil 74220, which is enriched in Pb-204, Tl, and Zn, is included in these relationships. In addition, the submicron metallic phase generally associated with agglutinate formation is correlated with all three of these elements; this relationship has already been reported for Pb-204 in other samples. Thus, orange soil and agglutinates appear to be involved in concentrating heavy volatile metals. A process other than mixing is required to account for this. As a consequence of the isolation of the landing site by the surrounding massifs, local supply and recycling of volatile trace elements in soils may account for some of the interelement relations.

Allen, R. O., Jr.↗
NASA NTRS2021

Assessment of Governing Heat and Mass Transfer Coefficients for Cryogenic No-Vent Top-Off Modeling

No-vent fill / no-vent top-off (NVF/NVTO) is a method to enable the trans-fer of cryogenic propellants without the need to vent. Transferring propellants inmicrogravity environments is necessary to support the long-duration space missionsplanned for the coming decades. A key developmental milestone to developing thiscapability fully is the simulation and experimentation of NVF/NVTO in 1-g settings.This work seeks to advance the former by assessing the effectiveness of different heattransfer correlations used in a 1-g non-equilibrium model. Heat transfer correlationsfor natural convection and two-phase boiling heat transfer are compared against ex-perimental results for 34 different tests. Two distinct experiments, comprised of 21tests, are presented in detail here. These tests cover a variety of different injectionmethods, receiver tank geometries, receiver tank materials, cryogenic propellants, andinitial tank states. Overall for the cases tested in this work, the model was able topredict the pressure response within the receiver tank to a mean absolute percentageerror of 25.9%. The temperature response error rate was 29.5% and 24.9% for wall-gasand two-phase nodes, respectively. Compared to the worst case correlation set tested,the pressure prediction error rate represents a 31% improvement. For the cases pre-sented in this work, the mean pressure prediction error rate was 15.5%. Future workcould evaluate the effectiveness of this model against experiments conducted withdifferent propellants or different initial conditions. In its current form, however, themodel can still be used to help reduce design and testing time for 1-g experiments,enabling the quicker iteration that is necessary to meet the technological demands offuture space missions.

No-Vent Top Off↗
DOE OSTI2021

Phase diagram of the anisotropic triangular lattice Hubbard model

In a recent study [Phys. Rev. X 10, 021042 (2020)], we showed using large-scale density matrix renormalization group (DMRG) simulations on infinite cylinders that the triangular lattice Hubbard model has a chiral spin liquid phase. In this work, we introduce hopping anisotropy in the model, making one of the three distinct bonds on the lattice stronger or weaker compared with the other two. We implement the anisotropy in two inequivalent ways, one which respects the mirror symmetry of the cylinder and one which breaks this symmetry. In the full range of anisotropy, from the square lattice to weakly coupled one-dimensional chains, we find a variety of phases. Near the isotropic limit we find the three phases identified in our previous work: metal, chiral spin liquid, and 120$^\circ$ spiral order; we note that a recent paper suggests the apparently metallic phase may actually be a Luther-Emery liquid, which would also be in agreement with our results. Furthermore, when one bond is weakened by a relatively small amount, the ground state quickly becomes the square lattice N\'{e}el order. When one bond is strengthened, the story is much less clear, with the phases that we find depending on the orientation of the anisotropy and on the cylinder circumference. While our work is to our knowledge the first DMRG study of the anisotropic triangular lattice Hubbard model, the overall phase diagram we find is broadly consistent with that found previously using other methods, such as variational Monte Carlo and dynamical mean field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Boosted dark matter from primordial black holes produced in a first-order phase transition

During a cosmological first-order phase transition in a dark sector, fermion dark matter particles χ can form macroscopic Fermi balls that collapse to primordial black holes (PBHs) under certain conditions. The evaporation of the PBHs produces a boosted χ flux, which may be detectable if χ couples to visible matter. We consider the interaction of χ with electrons, and calculate signals of the dark matter flux in the XENON1T, XENONnT, Super-Kamiokande and Hyper-Kamiokande experiments. A correlated gravitational wave signal from the phase transition can be observed at THEIA and μAres. An amount of dark radiation measurable by CMB-S4 is an epiphenomenon of the phase transition.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Strongly Correlated Quantum Spin Liquids versus Heavy Fermion Metals: A Review

This review considers the topological fermion condensation quantum phase transition (FCQPT) that explains the complex behavior of strongly correlated Fermi systems, such as frustrated insulators with quantum spin liquid and heavy fermion metals. The review contrasts theoretical consideration with recent experimental data collected on both heavy fermion metals (HF) and frustrated insulators. Such a method allows to understand experimental data. We also consider experimental data collected on quantum spin liquid in Lu 3 Cu 2 Sb 3 O 14 and quasi-one dimensional (1D) quantum spin liquid in both YbAlO 3 and Cu(C 4 H 4 N 2 )(NO 3 ) 2 with the aim to establish a sound theoretical explanation for the observed scaling laws, Landau Fermi liquid (LFL) and non-Fermi-liquid (NFL) behavior exhibited by these frustrated insulators. The recent experimental data on the heavy-fermion metal α-YbAl 1-x Fe x B 4 , with x=0.014, and on its sister compounds β-YbAlB 4 and YbCo 2 Ge 4 , carried out under the application of magnetic field as a control parameter are analyzed. We show that the thermodynamic and transport properties as well as the empirical scaling laws follow from the fermion condensation theory. We explain how both the similarity and the difference in the thermodynamic and transport properties of α-YbAl 1-x Fe x B 4 and in its sister compounds β-YbAlB 4 and YbCo 2 Ge 4 emerge, as well as establish connection of these (HF) metals with insulators Lu 3 Cu 2 Sb 3 O 14 , Cu(C 4 H 4 N 2 )(NO 3 ) 2 and YbAlO 3 . We demonstrate that the universal LFL and NFL behavior emerge because the HF compounds and the frustrated insulators are located near the topological FCQPT or are driven by the application of magnetic fields.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Plutonium migration and phase evolution in irradiated U-Pu-Zr metallic fuels: An integrated EPMA-SEM-TEM study

Constituent redistribution is a defining feature of irradiated U-Pu-Zr metallic fuels, yet its mechanisms and effects on fuel performance are not sufficiently resolved to guide model development. Although decades of irradiation testing have established broad trends, a true mechanistic understanding of constituent redistribution has not been achieved. Here, in this study, we use electron probe microanalysis (EPMA), scanning electron microscopy (SEM), and transmission electron microscopy-based (TEM) selective area electron diffraction (SAED) on a EBR-II irradiated U-19 wt.% Pu-6 wt.% Zr fuel pin cross-section to correlate the composition, porosity, and crystallographic phases formed after irradiation. Constituent redistribution is thought to consist of three distinct zones, in which uranium and zirconium migrate while plutonium remains relatively unchanged. Our EPMA results resolve eight distinct compositional regions, and more importantly, show that plutonium redistributes alongside zirconium, contrary to historical assumptions. The distribution of fission products was highly asymmetric with a few large lanthanide precipitates observed at isolated sites on the pin periphery instead of a uniform distribution of smaller precipitates around the periphery. Using thermodynamic data from TAF-ID and the measured EPMA compositions, matrix phase fractions were predicted across the fuel radius. Phase predictions based on composition did not match TEM/SAED results, which revealed a much higher fraction of α−U phase than would be expected if phases were retained from reactor temperatures. These findings highlight the need for expanded SAED phase identification to capture post-irradiation and storage effects, as well as rigorous uncertainty quantification in fuel performance and phase diagram modeling to better constrain predictions from compositional data.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

The correlation between N deficiency and the mechanical properties of the Ti 2 AlNy MAX phase

The role of X deficiency on the mechanical properties of MAX phases was studied by synthesizing Ti 2 AlN through powder metallurgy in stoichiometric and sub/extra-stoichiometric nitrogen compositions. XRD analyses and ab initio calculations indicate that nitrogen vacancies result in a lattice contraction predominantly along the c-axis. The elastic moduli and intrinsic hardness of substoichiometric Ti 2 AlN 0.9 measured from nanoindentation tests are shown to be slightly smaller than that of Ti 2 AlN. The key mechanical indexes, bulk (B), shear (G) and Young’s (E) moduli as well as the hardness variation are calculated in density functional theory, and show different responses depending on the concentration of N vacancies. Overall, this joint experimental and theoretical study provides a full understanding of the energetics, chemical bonding, electronic structure, and mechanics of the N deficient MAX phases which would increase the application of nitride ceramics.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Improved DMD configurations for image correlation

Two novel deformable mirror structures have been developed for spatial light modulators: an 'AM torsion beam' and a 'phase-mostly single-quadrant cantilever' beam. Both devices are well-suited to optical correlator input and filtering functions. Which the optical modulation characteristic of the torsion-beam modulator is essential amplitude only, which is well suited for use as the input modulator of the optical correlator, the characteristic of the one-quadrant modulator is a phase-mostly modulation whose amplitude changes are coupled to the phase changes; this renders it operable in the Fourier plane of the optical correlator as the filtering device.

Florence, James M.↗
NASA NTRS1999

Variability of Fram Strait Ice Flux and North Atlantic Oscillation

An important term in the mass balance of the Arctic Ocean sea ice is the ice export. We estimated the winter sea ice export through the Fram Strait using ice motion from satellite passive microwave data and ice thickness data from moored upward looking sonars. The average winter area flux over the 18-year record (1978-1996) is 670,000 square km, approximately 7% of the area of the Arctic Ocean. The winter area flux ranges from a minimum of 450,000 sq. km in 1984 to a maximum of 906,000 sq km in 1995. The daily, monthly and interannual variabilities of the ice area flux are high. There is an upward trend in the ice area flux over the 18-year record. The average winter volume flux over the winters of October 1990 through May 1995 is 1745 cubic km ranging from a low of 1375 cubic km in 1990 to a high of 2791 cubic km in 1994. The sea-level pressure gradient across the Fram Strait explains more than 80% of the variance in the ice flux over the 18-year record. We use the coefficients from the regression of the time-series of area flux versus pressure gradient across the Fram Strait and ice thickness data to estimate the summer area and volume flux. The average 12-month area flux and volume flux are 919,000 sq km and 2366 cubic km. We find a significant correlation (R =0.86) between the area flux and positive phases of the North Atlantic Oscillation (NAO) index over the months of December through March. Correlation between our six years of volume flux estimates and the NAO index gives R =0.56. During the high NAO years, a more intense Icelandic low increases the gradient in the sea-level pressure by almost 1 mbar across the Fram Strait thus increasing the atmospheric forcing on ice transport. Correlation is reduced during the negative NAO years because of decreased dominance of this large-scale atmospheric pattern on the sea-level pressure gradient across the Fram Strait. Additional information is contained in the original.

Kwok, Ron↗
NASA NTRS1986

Effect of liquid droplets on turbulence in a round gaseous jet

The main objective of this investigation is to develop a two-equation turbulence model for dilute vaporizing sprays or in general for dispersed two-phase flows including the effects of phase changes. The model that accounts for the interaction between the two phases is based on rigorously derived equations for turbulence kinetic energy (K) and its dissipation rate epsilon of the carrier phase using the momentum equation of that phase. Closure is achieved by modeling the turbulent correlations, up to third order, in the equations of the mean motion, concentration of the vapor in the carrier phase, and the kinetic energy of turbulence and its dissipation rate for the carrier phase. The governing equations are presented in both the exact and the modeled formes. The governing equations are solved numerically using a finite-difference procedure to test the presented model for the flow of a turbulent axisymmetric gaseous jet laden with either evaporating liquid droplets or solid particles. The predictions include the distribution of the mean velocity, volume fractions of the different phases, concentration of the evaporated material in the carrier phase, turbulence intensity and shear stress of the carrier phase, droplet diameter distribution, and the jet spreading rate. The predictions are in good agreement with the experimental data.

Mostafa, A. A.↗
DOE OSTI2025

Effect of stress on Laves phase precipitation in creep ruptured Grade 92 ferritic martensitic steel characterized by a novel accessible method

At high temperature conditions relevant to fossil and nuclear energy plants, Laves phase (Fe 2 X, X=Mo, W) precipitation is observed in common ferritic martensitic (FM) structural steels, with various reported effects on creep behavior. Despite being valuable metrics to correlate with mechanical properties and other precipitate phases, the volume fraction and number density of Laves phase precipitates has been difficult to quantify accurately using common techniques such as transmission electron microscopy (TEM) due to the relatively large size (∼0.25 μm) and low number density (∼10 11 cm −3 ) of Laves precipitates. Here, to address this characterization challenge, we developed and demonstrated a high-throughput and widely accessible method to quantify the volume fraction and number density of the Laves phase based on scanning electron microscope (SEM) images with a backscattered electron signal and the information depth (ID) of backscattered electrons. We applied this new technique in creep ruptured Grade 92 FM steel to study the effect of Laves phase on creep properties and determine the influence of stress on Laves phase precipitation. The quantitative accuracy of the SEM-based volume fraction and number density values was verified using synchrotron high energy X-ray diffraction and serial sectioning tomography. Stress did not significantly affect the Laves phase size or volume fraction during creep testing at 550 – 650°C and stress levels of 90 – 260 MPa (vs. unstressed conditions). Conversely, a moderate but statistically significant stress-enhanced increase in Laves phase number density, corresponding to an increase in nucleation rate, occurred during creep exposure above 110 MPa.

Creep↗
DOE OSTI2020

Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric VO 2

Rutile ( R ) phase VO 2 is a quintessential example of a strongly correlated bad metal, which undergoes a metal-insulator transition (MIT) concomitant with a structural transition to a V-V dimerized monoclinic ( M 1 ) phase below T MIT ~ 340 K . It has been experimentally illustrated that one can control this transition by doping VO 2 . In particular, doping with oxygen vacancies ( V O ) has been shown to completely suppress this MIT without any structural transition. We explain this suppression by elucidating the influence of oxygen vacancies on the electronic structure of the metallic R phase VO 2 , explicitly treating strong electron-electron correlations using dynamical mean-field theory (DMFT) as well as diffusion Monte Carlo (DMC) flavor of quantum Monte Carlo (QMC) techniques. DMC calculations show a gap closure in the M 1 phase when vacancies are present, suggesting that when vacancies are introduced in the high-temperature rutile phase, the dimerized insulating phase cannot be reached when temperature is lowered. Both DMFT and DMC calculations of nonstoichiometric metallic rutile phase shows that this tendency not to dimerize in the presence of vacancies is because V O 's tend to change the V - 3 d filling away from its nominal half-filled value, with the e g π orbitals competing with the otherwise dominant a 1 g orbital. Loss of this near orbital polarization of the a 1 g orbital is associated with a weakening of electron correlations, especially along the V-V dimerization direction. This removes a charge-density wave (CDW) instability along this direction above a critical doping concentration, which further suppresses the metal-insulator transition. Our research further suggests that the MIT is predominantly driven by a correlation-induced CDW instability along the V-V dimerization direction.

36 MATERIALS SCIENCE↗
NASA NTRS1991

The interoutburst behavior of cataclysmic variables

Existing IUE and AAVSO archive data were used to accomplish a large scale study of what happens to the UV flux of accretion disk systems during the quiescent intervals between outbursts, and how it relates to the preceding outburst characteristics of amplitude and width. The data sample involved multiple IUE observations for 16 dwarf novae and 8 novae along with existing optical coverage. Results indicate that most systems show correlated UV flux behavior with interoutburst phase, with 60 percent of the dwarf novae and 50 percent of the novae having decreasing flux trends while 33 percent of the dwarf novae and 38 percent of the novae show rising UV flux during the quiescent interval. All of the dwarf novae with decreasing UV fluxes at 1475 A have orbital periods longer than 4.4 hours, while all (except BV Cen) with flat or rising fluxes at 1475 A have orbital periods less than two hours. From a small sample (7) that have relatively large quiescent V magnitude changes between the IUE observations, most show a strong correlation between the UV and optical continuum. Interpretation of the results is complicated by not being able to determine how much the white dwarf contributes to the ultraviolet flux. However, it is now evident that noticeable changes are occurring in the hot zones in accreting systems long after the outburst, and not only for systems that are dominated by the white dwarf.

Szkody, Paula↗
DOE OSTI2022

Validation of seismic velocity models in southern California with full-waveform simulations

SUMMARY Crustal seismic velocity models provide essential information for many applications including earthquake source properties, simulations of ground motion and related derivative products. We present a systematic workflow for assessing the accuracy of velocity models with full-waveform simulations. The framework is applied to four regional seismic velocity models for southern California: CVM-H15.11, CVM-S4.26, CVM-S4.26.M01 that includes a shallow geotechnical layer, and the model of Berg et al. For each model, we perform 3-D viscoelastic wave propagation simulations for 48 virtual seismic noise sources (down to 2 s) and 44 moderate-magnitude earthquakes (down to 2 s generally and 0.5 s for some cases) assuming a minimum shear wave velocity of 200 m s–1. The synthetic waveforms are compared with observations associated with both earthquake records and noise cross-correlation data sets. We measure, at multiple period bands for well-isolated seismic phases, traveltime delays and normalized zero-lag cross-correlation coefficients between the synthetic and observed data. The obtained measurements are summarized using the mean absolute derivation of time delay and the mean correlation coefficient. These two metrics provide reliable statistical representations of model quality with consistent results in all data sets. In addition to assessing the overall (average) performance of different models in the entire study area, we examine spatial variations of the models’ quality. All examined models show good phase and waveform agreements for surface waves at periods longer than 5 s, and discrepancies at shorter periods reflecting small-scale heterogeneities and near-surface structures. The model performing best overall is CVM-S4.26.M01. The largest misfits for both body and surface waves are in basin structures and around large fault zones. Inaccuracies generated in these areas may affect tomography and model simulation results at other regions. The seismic velocity models for southern California can be improved by adding better resolved structural representations of the shallow crust and volumes around the main faults.

58 GEOSCIENCES↗