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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Pathways from a chiral superconductor to a composite Fermi liquid

Recent experiments have reported chiral time-reversal broken superconductivity in n-layer rhombohedral graphene for n=4,5,6. Introducing a moiré potential by alignement with a hexagonal boron nitride substrate suppresses the superconductivity but leads instead to various fractional quantum anomalous Hall phenomena. Motivated by these observations, we consider the fate of the phase transition between (a chiral) Landau Fermi liquid (LFL) metal and a Composite Fermi Liquid (CFL) metal in the presence of attractive interactions. These are parent states, respectively, for the superconductor and the fractional quantum Hall states. For weak attractive interactions, the LFL is usually unstable to superconductivity while the CFL is stable. This raises the possibility of a direct continuous phase transition between the chiral superconductor and the CFL. However, we show that generically the LFL close to the transition to the CFL is stable against superconductivity. Furthermore the evolution between the CFL and chiral superconductor goes through an intermediate stable LFL phase for weak attractive interactions. With stronger interactions, the evolution can instead go through a non-Abelian paired quantum Hall state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

New insights on the complex dynamics of two-phase flow in porous media under intermediate-wet conditions

Multiphase flow in porous media is important in a number of environmental and industrial applications such as soil remediation, CO 2 sequestration, and enhanced oil recovery. Wetting properties control flow of immiscible fluids in porous media and fluids distribution in the pore space. In contrast to the strong and weak wet conditions, pore-scale physics of immiscible displacement under intermediatewet conditions is less understood. This study reports the results of a series of two-dimensional highresolution direct numerical simulations with the aim of understanding the pore-scale dynamics of twophase immiscible fluid flow under intermediate-wet conditions. Our results show that for intermediatewet porous media, pore geometry has a strong influence on interface dynamics, leading to co-existence of concave and convex interfaces. Intermediate wettability leads to various interfacial movements which are not identified under imbibition or drainage conditions. These pore-scale events significantly influence macro-scale flow behaviour causing the counter-intuitive decline in recovery of the defending fluid from weak imbibition to intermediate-wet conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Observational Studies of the Clearing Phase in Proto-Planetary Disks Surrounding Intermediate Mass Stars

A detailed study of circumstellar gas associated with young, intermediate-mass stars has demonstrated that, far from being unique or an infrequently occurring phenomenon, beta Pic-like infall activity is routinely observed in stars younger than 10-50 Myr when the observer's line of sight lies within 15 degrees of the disk mid-plane. Detailed studies of 2 Herbig Ae/Be stars, AB Aur and HD 163296 demonstrate that enhanced infall episodes last 20-60 hours, comparable to the duration of similar episodes in beta Pictoris. The infall activity is consistent with detection of the comae of swarms of star-grazing bodies of asteroidal to cometary composition. Episodic fluctuations in the infall activity are clearly present by approximately 6 Myr, and may indicate the presence of massive planets within the disk. This study has therefore, directly contributed to NASA's Origins of Planetary Systems theme by identifying under what conditions extra-solar planetesimals can be remotely sensed, indicating that such bodies appear to be routinely detectable among young stars in the 1-10 Myr range, and suggesting that temporal studies of spectroscopic variability may provide a means of identifying those systems harboring massive planets. This study has resulted in 2 refereed review papers, 13 other refereed papers, and 17 conference papers.

Grady, Carol A.↗
DOE OSTI2022

TEM-based phase characterization of $\mathrm{U–19Pu–10Zr}$ irradiated in ATR

We report the results of the microstructural examination of the irradiated U–19Pu–10Zr fuel. New insights gained using selective area electron diffraction analysis in a transmission electron microscope provide crystallographic information on the phases previously identified based primarily on the chemical compositions. After irradiation, the microstructure of the fuel separates into γ-(U, Pu, Zr) in the central region with a secondary nanocrystalline UO 2 phase, γ-(U, Pu, Zr) with a secondary ZrO 2 phase in the intermediate, and ζ-(U, Pu) in the outer regions. While the surface microstructural features and porosity indicate separation into three concentric zones consistent with the existing constituent redistribution model, crystallographically the fuel consists of two zones: inner (with γ-(U, Pu, Zr) as a matrix phase) and outer (with ζ-(U, Pu) as a matrix phase). Our results highlight the importance of crystal structure in phase identification and can be used to supplement the existing constituent redistribution model.

extreme environment↗
DOE OSTI2026

NOx mediated formation of ε – UO 3 during thermal decomposition of uranyl nitrate hexahydrate under static air conditions

The thermal decomposition of uranyl nitrate hexahydrate in air at temperatures of 650 – 800 °C is expected to yield α – U 3 O 8 through intermediate UO 3 phases. Here, n this study, Raman spectroscopy complimented by powder X-ray diffraction revealed the unexpected formation of ε – UO 3 as an accompanying phase during thermal decomposition of UNH at 700 °C under static air conditions. Experiments demonstrated that ε – UO 3 does not form during the initial ramp up stage nor during the high temperature heating period; but instead forms during the cooling stage between 250 – 400 °C. Additional experiments revealed that UNH initially decomposes through an amorphous UO 3 intermediate prior to α – U 3 O 8 formation. Attempts to bypass the U 3 O 8 precursor in the formation of ε – UO 3 were unsuccessful, supporting the necessity of U 3 O 8 (α – U 3 O 8 in this study) in the formation of ε – UO 3 . The observed phase evolution is proposed to result from the NOx species generated during UNH thermal decomposition, which create localized oxidizing conditions within the furnace under static air conditions. Furthermore, a predominantly phase pure ε – UO 3 was synthesized under static air conditions through the addition of an extra plateau at 250 °C during the cooling step. These findings demonstrate the importance of gas-phase chemistry and cooling conditions in uranium oxide phase evolution and provide additional insight into ε – UO 3 formation pathways.

Epsilon uranium trioxide↗
DOE OSTI2022

Iron precipitation under controlled oxygen flow: Mineralogical implications for BIF precursors in the Archean ocean

Banded iron formation (BIF) deposition in the Archean ocean is thought to have been initiated by the oxidation of dissolved iron into ferric primary precursor phases that descended through the water column and were deposited on the seafloor. Effective interpretation of the trace element and isotopic composition of BIFs in the geologic record requires an understanding of the identity and longevity of those precursor phases. Temporal and spatial variation in oxidant concentration and ocean chemistry may have driven precursor mineralogy. Furthermore, precursor phases may undergo transitions during descent and burial. This experimental study follows the evolution of iron mineralogy, speciation, and redox state during the precipitation of iron under variable oxygen fluxes and in fluids containing different iron-complexing anions (chloride, sulfate, and phosphate). Additionally, suspensions collected after incomplete oxidation were anoxically aged to simulate changes to precursor mineralogy during descent below the seawater redoxcline. Results from X-ray diffraction, sequential dissolution, colorimetric determination of Fe redox state, and Fe K-edge X-ray absorption fine structure spectroscopy showed that under all experimental conditions, intermediate precipitates collected before complete iron uptake contained mineralized ferrous iron. Purely ferric mineral assemblages were not observed until iron was removed from solution. In low-oxygen experiments, intermediate precipitates contained phases with stoichiometric Fe 2+ , including magnetite, vivianite, and green rust (GR). Chloride green rust (GR1) had more ferric iron than sulfate green rust (GR2) and more readily transitioned to magnetite via disproportionation. GR2 was stable over a broader range of iron uptake; magnetite appeared mainly as an additional oxidation product in sulfate solution. In high oxygen experiments, mineralized ferrous iron occurred in amorphous phases or as a non-stoichiometric component in ferric oxides; final ferric assemblages were less crystalline than in low-oxygen equivalents. Low concentrations of phosphate increased the total iron oxidation rate, but also increased the ferrous content of intermediate precipitates. The incorporation of phosphate stabilized GR2 and facilitated GR2 precipitation over a larger range of iron uptake. In higher concentrations of phosphate, vivianite and poorly crystalline ferric hydroxides formed in place of GR. Here, these findings suggest that over a range of possible ocean chemistries, mixed-valence phases may have been short lived but relevant precursors to BIF. Additionally, anionic chemistry and oxidant concentration are shown to influence the crystallinity and chemical resistivity of final ferric assemblages, affecting their reactivity during later anoxic burial.

58 GEOSCIENCES↗
DOE OSTI2019

Bismuth-Based Perovskite-Inspired Solar Cells: In Situ Diagnostics Reveal Similarities and Differences in the Film Formation of Bismuth- and Lead-Based Films

Organic–inorganic lead-based halide perovskite compounds currently yield thin film solar cells with a power conversion efficiency (PCE) of >23%. However, replacing the lead with less-toxic elements while maintaining a high PCE remains a challenge. For this reason, there has been significant effort to develop Pb-free compounds, including methylammonium bismuth iodide (MA 3 Bi 2 I 9 ), but such systems severely underperform when compared with the prototypical Pb-based methylammonium lead iodide (MAPbI 3 ). For the latter, it is known that lead complexes with polar solvents, such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF), to form iodoplumbates which can co-crystallize into solvated phases. Herein, the solidification and growth behaviors of Bi- and Pb-based films is investigated using multi-probe in situ characterization methods. It is shown that the Bi-based compound crystallizes directly and rapidly into a textured polycrystalline microstructure from a precursor solution without evolving through intermediate crystalline solvated phases, in contrast to MAPbI 3 . This solidification process produces isolated crystals and challenges the growth of continuous and crystalline films required for solar cells. Further, it is revealed that solvent engineering with antisolvent dripping is crucial to enable the formation of continuous polycrystalline films of MA 3 Bi 2 I 9 and functional solar cells thereof.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Flow regimes during immiscible displacement

Fractional ow of immiscible phases occurs at the pore scale where grain surfaces and phases interfaces obstruct phase mobility. However, the larger scale behavior is described by a saturation-dependent phenomenological relationship called relative permeability. As a consequence, pore-scale parameters, such as phase topology and/ or geometry, and details of the flow regime cannot be directly related to Darcy-scale flow parameters. It is well understood that relative permeability is not a unique relationship of wetting-phase saturation and rather depends on the experimental conditions at which it is measured. Herein we use fast X-ray microcomputed tomography to image pore-scale phase arrangements during fractional flow and then forward simulate the flow regimes using the lattice-Boltzmann method to better understand the underlying pore-scale flow regimes and their influence on Darcy-scale parameters. We find that relative permeability is highly dependent on capillary number and that the Corey model fits the observed trends. At the pore scale, while phase topologies are continuously changing on the scale of individual pores, the Euler characteristic of the nonwetting phase (NWP) averaged over a sufficiently large field of view can describe the bulk topological characteristics; the Euler characteristic decreases with increasing capillary number resulting in an increase in relative permeability. Lastly, we quantify the fraction of NWP that flows through disconnected ganglion dynamics and demonstrate that this can be a significant fraction of the NWP flux for intermediate wetting-phase saturation. Furthermore, rate dependencies occur in our homogenous sample (without capillary end effect) and the underlying cause is attributed to ganglion flow that can significantly influence phase topology during the fractional flow of immiscible phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Ultrafast nonlinear absorption of Haldane model quantum dots

We study theoretically the nonlinear absorbance of Haldane model quantum dots (QDs) placed in the field of an ultrashort and strong optical pulse. The absorbance strongly depends on the frequency of the pulse. When the frequency of the pulse is much less than the QD bandgap, the absorbance shows strong dependence on the pulse amplitude and, as a function of an internal phase of the Haldane model, the absorbance has maxima at intermediate values of the phase. When the frequency of the pulse becomes closer to, but still less than, the bandgap, the absorbance has a weak dependence on the pulse amplitude and, as a function of the internal phase, it has a maximum at the phase of 900 when the QD bandgap also has the smallest value. Furthermore, nonlinear electron dynamics in such QD systems changes from almost reversible one at small pulse frequencies to highly irreversible dynamics at large frequencies of the pulse.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Impact of high-power impulse magnetron sputtering pulse width on the nucleation, crystallization, microstructure, and ferroelectric properties of hafnium oxide thin films

The impact of the high-power impulse magnetron sputtering (HiPIMS) pulse width on the crystallization, microstructure, and ferroelectric properties of undoped HfO 2 films is investigated. HfO 2 films were sputtered from a hafnium metal target in an Ar/O 2 atmosphere, varying the instantaneous power density by changing the HiPIMS pulse width with fixed time-averaged power and pulse frequency. The pulse width is shown to affect the ion-to-neutral ratio in the depositing species with the shortest pulse durations leading to the highest ion fraction. In situ x-ray diffraction measurements during crystallization demonstrate that the HiPIMS pulse width impacts nucleation and phase formation, with an intermediate pulse width of 110 μ s stabilizing the ferroelectric phase over the widest temperature range. Although the pulse width impacts the grain size with the lowest pulse width resulting in the largest grain size, the grain size does not strongly correlate with the phase content or ferroelectric behavior in these films. In conclusion, these results suggest that precise control over the energetics of the depositing species may be beneficial for forming the ferroelectric phase in this material.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Peculiarities of Phase Formation in TbBO{sub 3} during Isothermal Annealing

Detailed X-ray studies of changes in the structure of terbium orthoborate TbBO{sub 3} in the course of successive high-temperature isothermal annealing of the initial mixture in the form of an amorphous precursor and in the form of a homogenized mixture of microcrystalline Tb{sub 7}O{sub 12} and B{sub 2}O{sub 3} powders have been carried out. It is shown that the formation of TbBO{sub 3} crystals in both cases occurs through the formation of intermediate two-phase states. Particularly, the triclinic high-temperature ν-TbBO{sub 3} phase is formed already at the first crystallization stages (about 600°C) almost simultaneously with the equilibrium vaterite modification of TbBO{sub 3} (sp. gr. P63/mmc) during low-temperature annealing of an amorphous precursor, which transforms into the vaterite modification at an annealing temperature of 850°C. The phase of monoclinic terbium trioxoborate TbB{sub 3}O{sub 6} is formed at the first stages of phase formation (about 800°C) almost simultaneously with the vaterite phase when the feedstock is annealed in the form of a homogenized mixture of microcrystalline Tb{sub 7}O{sub 12} and B{sub 2}O{sub 3} powders. It also transforms into the vaterite modification at an annealing temperature of 950°, which is preserved up to the highest annealing temperatures in the experiment (1200°C). A hypothetical explanation of the formation of such two-phase states during low-temperature annealing of the feedstock and their disappearance at higher annealing temperatures is proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Reentrant phase behavior and coexistence in asymmetric block copolymer electrolytes

It is known that the addition of salts to symmetric block copolymers leads to stabilization of ordered phases and an increase in domain spacing; both trends are consistent with an increase in the effective Flory-Huggins interaction parameter between the blocks, χ. In this work, we show that the addition of salt to a disordered asymmetric block copolymer first leads to the formation of coexisting ordered phases which give way to a reentrant disordered phase at a higher salt concentration. The coexisting phases are both body centered cubic (BCC) with different domain spacings, stabilized by partitioning of the salt. Further increase in salt concentration results in yet another disorder-to-order transition; hexagonally packed cylinders are obtained in the high salt concentration limit. The coexisting phases formed at intermediate salt concentration, elucidated by electron tomography, showed the absence of macroscopic regions with distinct BCC lattices. A different asymmetric block copolymer with composition in the vicinity of the sample described above only showed only a single disorder-to-order transition. However, the dependence of domain spacing on salt concentration was distinctly non-monotonic, and similar to that of the sample with the reentrant phase behavior. This dependence appears to be an announcement of reentrant phase transitions in asymmetric block copolymer electrolytes. These results cannot be mapped on to the traditional theory of block copolymer electrolyte self-assembly based on an effective χ.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Coupling Ambient Pressure X-ray Photoelectron Spectroscopy with Density Functional Theory to Study Complex Surface Chemistry and Catalysis

Ambient pressure X-ray photoelectron spectroscopy (APXPS) experiments narrow the pressure and materials gaps between UHV surface science experiments and applications. Upon closing these gaps, ambiguity can enter the analysis of the spectra due to overlapping peaks from different elements or functional groups of both the sample and the gas phase. Additionally, reaction intermediates and mechanisms are often inaccessible from interpretation of APXPS data alone. In many cases, these issues can be overcome with the aid of density functional theory (DFT) calculations. Here, we outline our process of combining DFT calculations with APXPS experiments by describing our recent investigations of the adsorption of dimethyl methylphosphonate (DMMP) on MoO3 and CuO. We begin by showing the importance of the characterization of the isolated gas phase molecule before adsorption onto a surface. In particular, strong agreement between theory and experiment helps identify plausible decomposition pathways of the isolated molecule and provides a baseline for interpretation of spectra showing evidence of DMMP interaction with surfaces. The intact adsorption of DMMP on MoO3 offers an illustration of how moving beyond pristine single crystalline surfaces in calculations can enable better modeling of experimental trends that result from surface defects. Studies of DMMP adsorption on CuO exemplify the powerful synergy of APXPS combined with DFT for elucidation of complex reaction mechanisms on surfaces.

Chemistry↗
DOE OSTI2025

Framework for phase transitions between the Maxwell and Gibbs constructions at finite temperature

The characteristics of the hadron-to-quark first-order phase transition differ depending on whether charge neutrality is locally or globally fulfilled. In 𝛽-equilibrated matter, these two possibilities correspond to the Maxwell and Gibbs constructions. Recently, we presented a new framework in which a continuously varying parameter allows one to describe a first-order phase transition in intermediate scenarios to the two extremes of fully local and fully global charge neutrality. In this work, we extend the previous framework to finite temperatures and out-of-𝛽 equilibrium conditions, making it available for simulations of core-collapse supernovae and binary neutron star mergers. We investigate its impact on key thermodynamic quantities across a range of baryon densities, temperatures, and electron fractions. We find that when matter is not in 𝛽 equilibrium, the pressure in the mixed phase is not constant even for the case of fully local charge neutrality. Moreover, we compute the thermal index using three different approaches, demonstrating that the finite-temperature extension of an equation of state using a constant thermal index can be ill defined when applied to the mixed phase.

QCD phase transitions↗
NASA NTRS1992

Phase noise in pulsed Doppler lidar and limitations on achievable single-shot velocity accuracy

The smaller sampling volumes afforded by Doppler lidars compared to radars allows for spatial resolutions at and below some sheer and turbulence wind structure scale sizes. This has brought new emphasis on achieving the optimum product of wind velocity and range resolutions. Several recent studies have considered the effects of amplitude noise, reduction algorithms, and possible hardware related signal artifacts on obtainable velocity accuracy. We discuss here the limitation on this accuracy resulting from the incoherent nature and finite temporal extent of backscatter from aerosols. For a lidar return from a hard (or slab) target, the phase of the intermediate frequency (IF) signal is random and the total return energy fluctuates from shot to shot due to speckle; however, the offset from the transmitted frequency is determinable with an accuracy subject only to instrumental effects and the signal to noise ratio (SNR), the noise being determined by the LO power in the shot noise limited regime. This is not the case for a return from a media extending over a range on the order of or greater than the spatial extent of the transmitted pulse, such as from atmospheric aerosols. In this case, the phase of the IF signal will exhibit a temporal random walk like behavior. It will be uncorrelated over times greater than the pulse duration as the transmitted pulse samples non-overlapping volumes of scattering centers. Frequency analysis of the IF signal in a window similar to the transmitted pulse envelope will therefore show shot-to-shot frequency deviations on the order of the inverse pulse duration reflecting the random phase rate variations. Like speckle, these deviations arise from the incoherent nature of the scattering process and diminish if the IF signal is averaged over times greater than a single range resolution cell (here the pulse duration). Apart from limiting the high SNR performance of a Doppler lidar, this shot-to-shot variance in velocity estimates has a practical impact on lidar design parameters. In high SNR operation, for example, a lidar's efficiency in obtaining mean wind measurements is determined by its repetition rate and not pulse energy or average power. In addition, this variance puts a practical limit on the shot-to-shot hard target performance required of a lidar.

Mcnicholl, P.↗
DOE OSTI2022

High-Throughput Nanoindentation Mapping of Additively Manufactured T91 Steel

Here, this work aims to adapt nanoindentation mapping combined with a k-means algorithm as a high-throughput technique to study the nano-scale spatial changes in mechanical properties for a heterogeneous material. This technique can also classify the individual data points based on their properties. Hundreds to thousands of indents were performed on additively manufactured T91 at room temperature, 300°C, 400°C, and 500°C across a square area with a side length of 120 μm to 400 μm. From this data, the hardness and reduced modulus at each point could be calculated and mapped. Using k-means clustering, we were able to arrange the data into three or four clusters corresponding roughly to the ferritic and martensitic phases as well as one or two intermediate clusters sampling both the phases. The hardness of these two phases appears to be quite stable as a function of temperature. Nanoindentation mapping and the k-means algorithm can therefore be used to rapidly assess the feasibility of heterogeneous materials under extreme conditions, such as nuclear reactor steels.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U , as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Enhanced surface exchange activity and electrode performance of (La 2–2x Sr 2x )(Ni 1–x Mn x )O 4+δ cathode for intermediate temperature solid oxide fuel cells

Surface exchange kinetics of Ruddlesden-Popper (R-P) phase lanthanum nickelates upon Mn doping as an intermediate temperature solid oxide fuel cells (IT-SOFCs) cathode is investigated for the first time in this communication. To promote the exchange rate in oxygen reduction reaction (ORR) on nickelates, Mn is partially substituted for Ni. The oxygen exchange resistance is accurately measured by electrochemical impedance spectroscopy (EIS) with dense thin layer cathode. It is found that Mn substantially promotes the surface kinetics; a surface exchange coefficient (k) of 1.57 × 10 –6 cm/s is obtained at 700 °C for La 1.8 Sr 0.2 Ni 0.9 Mn 0.1 O 4+δ (Sr20Mn10), ~80% higher than that of the undoped La 2 NiO 4+δ (LNO). To our best knowledge, such coefficient is the highest values among the currently available R-P phase IT-SOFC cathodes. The corresponding polarization resistances (R p ) are evaluated on porous electrodes. R p for LNO is 0.74 Ωcm 2 at 750 °C, but decreases significantly to 0.42 Ωcm 2 for Sr20Mn10 which is remarkably improved compared to the reported values in the literature for La 2 MO 4+δ materials (M = transition metal). In conclusion, those promising results demonstrate that Mn-doped LNO is a new excellent cathode material for IT-SOFC.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗