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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Modulating terrestrial impacts from Oort cloud comets by the adiabatically changing galactic tides

Time modulation of the flux of new Jupiter-dominated Oort cloud comets is the subject of interest here. The major perturbation of these comets during the present epoch is due to the tidal field of the relatively smooth distribution of matter in the galactic disk. A secondary source of the near-parabolic comet flux are stars penetrating the inner Oort cloud and providing impulses that create brief comet showers. Substantial stellar-induced showers occur approximately every 100 m.y. Less frequent (but stronger) impulses due to giant molecular clouds can also perturb comets from the inner cloud. These occur on timescales of approximately equal to 500 m.y. In contrast to these infrequent stochastic shower phenomena is the continuously varying tidal-induced flux due to the galaxy. As the Sun orbits the galactic center it undergoes quasiharmonic motion about the galactic midplane, which is superimposed on the small eccentricity, near-Keplerian motion in the plane having epicycle period approximately equal to 150 m.y. In the process the galactic tidal field on the Sun/cloud system will vary causing a modulation of the observable Oort cloud flux. We have created a model of the galactic matter distribution as it affects the solar motion over a time interval ranging from 300 m.y. in the past to 100 m.y. into the future. As constraints on the disk's compact dark matter component we require consistency with the following: (1) the observed galactic rotation curve, (2) today's flux distribution of new comets, (3) the studies of K-giant distributions, and (4) the periodicity found in the terrestrial cratering record. The adiabatically varying galactic tidal torque is then determined and used to predict the time dependence of the flux. We find that a model in which approximately half the disk matter is compact is consistent with these constraints. Under such circumstances the peak-to-trough flux variation will be approx. equal to 5:1 with a full width of 9 m.y. This variability will manifest in the terrestrial cratering record and is consistent with the observed cratering periodicity, if over half of the impacts on Earth are caused by comets or asteroids that originate in the outer Oort cloud.

Matese, J. J.↗
NASA NTRS2003

Karhunen-Loeve Estimation of the Power Spectrum Parameters from the Angular Distribution of Galaxies in Early Sloan Digital Sky Survey Data

We present measurements of parameters of the three-dimensional power spectrum of galaxy clustering from 222 square degrees of early imaging data in the Sloan Digital Sky Survey (SDSS). The projected galaxy distribution on the sky is expanded over a set of Karhunen-Loeve (KL) eigenfunctions, which optimize the signal-to-noise ratio in our analysis. A maximum likelihood analysis is used to estimate parameters that set the shape and amplitude of the three-dimensional power spectrum of galaxies in the SDSS magnitude-limited sample with r* less than 21. Our best estimates are gamma = 0.188 +/- 0.04 and sigma(sub 8L) = 0.915 +/- 0.06 (statistical errors only), for a flat universe with a cosmological constant. We demonstrate that our measurements contain signal from scales at or beyond the peak of the three-dimensional power spectrum. We discuss how the results scale with systematic uncertainties, like the radial selection function. We find that the central values satisfy the analytically estimated scaling relation. We have also explored the effects of evolutionary corrections, various truncations of the KL basis, seeing, sample size, and limiting magnitude. We find that the impact of most of these uncertainties stay within the 2 sigma uncertainties of our fiducial result.

Szalay, Alexander S.↗
NASA NTRS2006

"Weekend-effect" evidence for intensification of storms by pollution over U.S.

Aerosols change the way precipitating clouds evolve, due to their effect on condensation and ice formation. The net effect of aerosols on precipitation varies depending on the local environment and synoptic situation, the types of aerosols, and also on how far downstream one looks for effects. Repeated experiments with controlled release of aerosols would be helpful in unraveling how aerosols affect precipitation. The weekly variation in human activity may provide just such a set of experiments. Using the rainfall estimates from the passive microwave instrument on the Tropical Rainfall Measuring Mission (TRMM), which has been orbiting for over eight years and can view areas as far north as about 40 degs, we find that there is indeed a weekly variation in summer (JJA) rainfall over the southeastern U.S. land area, with the average rain rate peaking in the middle of the week (Tue-Thu). Rainfall over nearby oceanic areas, on the other hand, seems to peak on weekends. A bootstrap statistical test indicates that the variations are unlikely to be due to chance. Physically related weekly variations in the statistics of ground-based measurements and model reanalysis data are found. The midweek peak in rainfall over land coincides with the well documented midweek peak in pollution around much of the U.S., and is unlikely to be due to other weekly variations in human influence. The midweek increase is also unlikely to be a consequence of the radiative heating or cooling of the atmosphere by the aerosols.

Bell, T. L.↗
NASA NTRS2014

Solar Wind Implantation into Lunar Regolith: Hydrogen Retention in a Surface with Defects

Solar wind protons are implanted directly into the top 100 nm of the lunar near-surface region, but can either quickly diffuse out of the surface or be retained, depending upon surface temperature and the activation energy, U, associated with the implantation site. In this work, we explore the distribution of activation energies upon implantation and the associated hydrogen-retention times; this for comparison with recent observation of OH on the lunar surface. We apply a Monte Carlo approach: for simulated solar wind protons at a given local time, we assume a distribution of U values with a central peak, U(sub c) and width, U(sub w), and derive the fraction retained for long periods in the near-surface. We find that surfaces characterized by a distribution with predominantly large values of U (greater than 1 eV) like that expected at defect sites will retain implanted H (to likely form OH). Surfaces with the distribution predominantly at small values of U (less than 0.2 eV) will quickly diffuse away implanted H. However, surfaces with a large portion of activation energies between 0.3 eV less than U less than 0.9 eV will tend to be H-retentive in cool conditions but transform into H-emissive surfaces when warmed (as when the surface rotates into local noon). These mid-range activation energies give rise to a diurnal effect with diffusive loss of H at noontime.

regolith↗
NASA NTRS2020

A NICER Look at the State Transitions of the Black Hole Candidate MAXI J1535-571 During its Reflares

The black hole candidate and X-ray binary MAXI J1535−571 was discovered in 2017 September. During the decay of its discovery outburst, and before returning to quiescence, the source underwent at least four reflaring events, with peak luminosities of ∼1035–36 erg s−1 (d/4.1 kpc)2. To investigate the nature of these flares, we analysed a sample of NICER (Neutron star Interior Composition Explorer) observations taken with almost daily cadence. In this work, we present the detailed spectral and timing analysis of the evolution of the four reflares. The higher sensitivity of NICER at lower energies, in comparison with other X-ray detectors, allowed us to constrain the disc component of the spectrum at ∼0.5 keV. We found that during each reflare the source appears to trace out a q-shaped track in the hardness–intensity diagram similar to those observed in black hole binaries during full outbursts. MAXI J1535−571 transits between the hard state (valleys) and softer states (peaks) during these flares. Moreover, the Comptonized component is undetected at the peak of the first reflare, while the disc component is undetected during the valleys. Assuming the most likely distance of 4.1 kpc, we find that the hard-to-soft transitions take place at the lowest luminosities ever observed in a black hole transient, while the soft-to-hard transitions occur at some of the lowest luminosities ever reported for such systems.

V A Cuneo↗
NASA NTRS2021

Concerns About Phytoplankton Bloom Trends in Global Lakes

Satellite remote sensing has been widely used to monitor the water quality of inland and coastal environments. Using satellite data from the Landsat 5 Thematic Mapper (L5TM), Ho et al.1 showed an increase in peak summertime bloom intensity in 68% of the 71 large lakes worldwide from 1982 to 2012. However, we question the veracity of their finding for at least two reasons: (1) satellite-derived reflectance in a single near-infrared (NIR) band is not a reliable proxy for bloom strength, and (2) the infrequent satellite observations from L5TM make it difficult to draw statistically meaningful conclusions.

Lian Feng↗
NASA NTRS2022

Effect of the Heliospheric State on CME Evolution

The culmination of solar cycle 24 by the end of 2019 has created the opportunity to compare the differing properties of coronal mass ejections (CMEs) between two whole solar cycles: solar cycle 23 (SC 23) and solar cycle 24 (SC 24). We report on the width evolution of limb CMEs in SCs 23 and 24 in order to test the suggestion by Gopalswamy et al. that CME flux ropes attain pressure balance at larger heliocentric distances in SC 24. We measure CME width as a function of heliocentric distance for a significantly large number of limb CMEs (∼1000) and determine the distances where the CMEs reach constant width in each cycle. We introduced a new parameter, the transition height (hc) of a CME, defined as the critical heliocentric distance beyond which the CME width stabilizes to a quasi-constant value. Cycle and phase-to-phase comparisons are based on this new parameter. We find that the average value of hc in SC 24 is 62% higher than that in SC 23. SC 24 CMEs attain their peak width at larger distances from the Sun than SC 23 CMEs do. The enhanced transition height in SC 24 is new observational ratification of the anomalous expansion. The anomalous expansion of SC 24 CMEs, which is caused by the weak state of the heliosphere, accounts for the larger heliocentric distance where the pressure balance between CME flux rope and the ambient medium is attained.

Solar coronal mass ejections↗
NASA NTRS2000

Limits on Line Bisector Variability for Stars with Extrasolar Planets

We present an analysis of high-resolution synoptic spectra of ten F- and G-type stars, seven of which exhibit periodic radial velocity variations due to the presence of one or more substellar companions. We searched for subtle periodic variations in photospheric line asymmetry, as characterized by line bisectors. In principle, periodic variations in line asymmetry observed at lower spectral resolution could mimic the radial velocity signature of a companion, but we find no significant evidence of such behavior in our data. Observations were obtained from 1998 March to 1999 February using the National Solar Observatory (NSO) 1.52-m McMath-Pierce Solar Telescope Facility on Kitt Peak in conjunction with the solar-stellar spectrograph, achieving a resolving power of 1.2x10(exp5). To characterize line asymmetry, we first measured line bisectors for the unblended Fe I photospheric line at 625.26 nm. To improve sensitivity to small fluctuations, we then combined points in each bisector to form a velocity displacement with respect to the line core. We searched for periodic variations in this displacement, finding no substantial difference between stars with substellar companions and those without reported companions. We find no correlation between bisector velocity displacement and the known orbital phase of substellar companions around our target stars. Simulations of a periodic signal with noise levels that mimic our measurement errors suggest that we can exclude bisector variations with amplitudes greater than about 20 m/s. These results support the conclusion that extrasolar planets best explain the observed periodic variations in radial velocity.

Povich, M. S.↗
NASA NTRS2010

The Second Swift BAT Gamma-Ray Burst Catalog

We present the second Swift Burst Alert Telescope (BAT) catalog of gamma-ray bursts (GRBs), which contains 476 bursts detected by the BAT between 2004 December 19 and 2009 December 21. This catalog (hereafter the BAT2 catalog) presents burst trigger time, location, 90% error radius, duration, fluence, peak flux, time-averaged spectral parameters and time-resolved spectral parametert:; measured by the BAT. In the correlation study of various observed parameters extracted from the BAT prompt emission data, we distinguish among long-duration GRBs (L-GRBs), short-duration GRBs (S-GRBs), and short-duration GRBs with extended emission (S-GRBs with E.E.) to investigate differences in the prompt emission properties. The fraction of L-GRBs, S-GRBs and S-GRBs with E.E. in the catalog are 89%, 8% and 2% respectively. We compare the BAT prompt emission properties with the BATSE, BeppoSAX and HETE-2 GRB samples. We also correlate the observed prompt emission properties with the redshifts for the GRBs with known redshift. The BAT T90 and T50 durations peak at 70 s and 30 s, respectively. We confirm that the spectra of the BAT S-GRBs are generally harder than those of the L-GRBs. The time-averaged spectra of the BAT S GRBs with E.E. are similar to those of the L-GRBs. Whereas, the spectra of the initial short spikes of the S-GRBs with E.E. are similar to those of the S-GRBs. We show that the BAT GRB samples are significantly softer than the BATSE bright GRBs, and that the time-averaged E obs/peak of the BAT GRBs peaks at 80 keV which is significantly lower energy than those of the BATSE sample which peak at 320 keV. The time-averaged spectral properties of the BAT GRB sample are similar to those of the HETE-2 GRB samples. By time-resolved spectral analysis, we find that 10% of the BAT observed photon indices are outside the allowed region of the synchrotron shock model. The observed durations of the BAT high redshift GRBs are not systematically longer than those of the moderate red shift GRBs. Furthermore, the observed spectra of the BAT high red shift GRBs are similar to or harder than the moderate red shift GRBs. The T90 and T50 distributions measured at the 140-220 keY band in the GRB rest frame form the BAT known redshift GRBs peak at 19 sand 8 s, respectively. We also provide an update on the status of the on-orbit BAT calibrations.

Barthelmy, S. D.↗
DOE OSTI2023

Electronic density of states of a U ( 1 ) quantum spin liquid with spinon Fermi surface. I. Orbital magnetic field effects

A quantum spin liquid with a spinon Fermi surface is an exotic insulator that hosts neutral Fermi surfaces inside the insulating gap. In an external magnetic field, it has been pointed out that the neutral Fermi surfaces are Landau quantized to form Landau levels due to the coupling to the induced emergent gauge magnetic field. In this paper, we calculate the electronic density of states (as observed in tunneling experiments) of the quantum spin liquid in an orbital magnetic field. Here, we find that the Landau levels from the neutral Fermi surfaces give rise to a set of steps emerging at the upper and lower Hubbard band edges. Each of the Hubbard band edge steps further develop into a band edge resonance peak when a weak gauge binding arising from the gauge field fluctuations is taken into account. Importantly, each Hubbard band edge step and its resulting resonance peak in the weak gauge binding are found to have a corresponding Landau level from the neutral Fermi surfaces, so the Hubbard band edge steps and the band edge resonance peaks provide signatures to the unique feature that characterizes the Landau quantization of the in-gap neutral Fermi surfaces in the spin liquid. We further consider the strong gauge-binding regime where the band edge resonance peaks move into the Mott gap and develop into true in-gap bound states. In the strong gauge binding regime, we solve the Landau-level spectrum of the in-gap bound states in an orbital magnetic field. For the in-gap bound state with a Mexican-hat-like band dispersion, we find that the envelop energy to have a state excited from the bound state Landau levels decreases quadratically with the magnetic field. The quadratic decrease behavior of the envelop energy is consistent with the intuition that applying magnetic field localizes the states and energetically promotes the in-gap bound states formation. Finally, we discuss the connection of our results to the electronic density of states spectra measured in the layered 1T-TaS 2 . We point out that a quantum spin liquid with a quasibound state in the upper Hubbard band can give the density of states spectra similar to the one measured in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

The Effects of Climate Change on Interregional Electricity Market Dynamics on the U.S. West Coast

The United States (U.S.) West Coast power system is strongly influenced by variability and extremes in air temperatures (which drive electricity demand) and streamflows (which constrain hydropower production). As hydroclimate changes across the West Coast, a combination of forces may work in tandem to make its bulk power system more vulnerable to physical reliability issues and market price shocks. In particular, a warmer climate is expected to increase summer cooling (electricity) demands and shift the average timing of peak streamflow (hydropower production) away from summer to the spring and winter, depriving power systems of hydropower when it is needed the most. Here, we investigate how climate change could alter interregional electricity market dynamics on the West Coast, including the potential for hydroclimatic changes in one region (e.g. Pacific Northwest (PNW)) to “spill over” and cause price and reliability risks in another (e.g. California). We find that the most salient hydroclimatic risks for the PNW power system are changes in streamflow, while risks for the California system are driven primarily by changes in summer air temperatures, especially extreme heat events that increase peak system demand. Altered timing and amounts of hydropower production in the PNW do alter summer power deliveries into California but show relatively modest potential to impact prices and reliability there. Instead, it is future climate conditions (extreme heat) in California that may exert a stronger significant influence on prices and reliability in the PNW, especially if California continues to rely on its northern neighbor for imported power to meet higher summer demands.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Soft phonon and the central peak at the cubic-to-tetragonal phase transition in SrTiO 3

The continuous displacive phase transition in SrTiO 3 near 𝑇 𝑐 ≈105 K features a central elastic peak in neutron-scattering investigations at temperatures above 𝑇 𝑐 , i.e., before the corresponding soft phonon mode is overdamped upon cooling. The origin of this central peak is still not understood. Here, in this work, we report an inelastic x-ray scattering investigation of the cubic-to-tetragonal phase transition in SrTiO 3 . We compare quantitatively measurements of the soft phonon mode on two differently grown samples and discuss the findings regarding results from thermodynamic and transport probes such as specific heat and thermal conductivity. Furthermore, we use inelastic x-ray scattering to perform elastic scans with both high momentum and milli-electronvolt energy-resolution and, thus, are able to separate elastic intensities of the central peak from low-energy quasielastic phonon scattering. Our results indicate that the evolution of the soft mode is similar in both samples though the intensities of the central peak differ by a factor of four. Measurements revealing anisotropic correlation lengths on cooling towards 𝑇 𝑐 , indicate that local properties of the crystals to which collective lattice excitations are insensitive are likely at the origin of the central elastic line in SrTiO 3 .

anharmonic lattice dynamics↗
DOE OSTI2022

High-Energy X-ray Diffraction Microscopy for Nuclear Forensics FY2022 Project Report

Morphological information on nuclear material has been identified using visible light and scanning electron microscopy. These identify qualitative differences in particle morphology. Three-dimensional imaging of materials through alternating scanning electron microscopy imaging and focused ion beam milling has also been used. Unfortunately, these techniques are time- and labor-intensive, with significant sample preparation required and lengthy analysis times. Further, the resulting 3D images are qualitative, require manual identification, and do not capture statistically-representative populations. High energy X-ray 3D imaging using a direct-beam or diffracted-beam (High-Energy Diffraction Microscopy) have been developed at the Advanced Photon Source and can produce quantitative information on grains (phase, location, etc.) and pores (size distribution, sphericity) in a material. These techniques require only minutes to characterize a sample volume and are non-destructive, thus suitable for a wide range of existing samples and for confirmatory analyses to be carried out using conventional microscopy techniques. In this first year of the project, all uranium oxide samples were synthesized and characterized using conventional analyses by the analytical chemistry laboratory. Conventional analysis methods included powder x-ray diffraction, scanning electron microscopy, impurity analysis via inductively coupled plasma mass spectrometry, and infrared spectroscopy. Impurity analysis shows a drop in boron content from UO 3 to the lowest U 3 O 8 calcination temperature, but otherwise no appreciable difference in any sample. Analysis of diffraction data shows a flip of peaks from UO 3 dominated for the 600 °C calcined sample to U 3 O 8 dominated at 700 °C and 800 °C. Analysis of scanning electron microscopy images shows that with increased calcination temperature the size distribution of particles seems to increase and broaden. Both of these last findings are in line with previously published data, though this work used significantly fewer particles to simply show similar trends instead of getting truly quantitative particle analysis. Infrared analysis similarly shows ingrowth of U 3 O 8 as calcination temperature is increased, along with depression of peaks associated with UO 3 and water. Samples were prepared for analysis at the Advanced Photon Source at beamline 1-ID. It is anticipated that analysis will occur in November of 2022. AI/ML techniques to de-noise data coming out of 1-ID during the analyses was also developed during this time using previously gathered data. Preliminary results using a self-supervision technique called Noise2Selfshow good de-noising of data. Once the uranium oxide samples are analyzed, real data will be used to test the de-noising and other AI/ML techniques that may be developed in the second year of the project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2012

Photosystem Trap Energies and Spectrally-Dependent Energy-Storage Efficiencies in the Chl d-Utilizing Cyanobacterium, Acaryochloris Marina

Acaryochloris marina is the only species known to utilize chlorophyll (Chl) d as a principal photopigment. The peak absorption wavelength of Chl d is redshifted approx. 40 nm in vivo relative to Chl a, enabling this cyanobacterium to perform oxygenic phototrophy in niche environments enhanced in far-red light. We present measurements of the in vivo energy-storage (E-S) efficiency of photosynthesis in A. marina, obtained using pulsed photoacoustics (PA) over a 90-nm range of excitation wavelengths in the red and far-red. Together with modeling results, these measurements provide the first direct observation of the trap energies of PSI and PSII, and also the photosystem-specific contributions to the total E-S efficiency. We find the maximum observed efficiency in A. marina (40+/-1% at 735 nm) is higher than in the Chl a cyanobacterium Synechococcus leopoliensis (35+/-1% at 690 nm). The efficiency at peak absorption wavelength is also higher in A. marina (36+/-1% at 710 nm vs. 31+/-1% at 670 nm). In both species, the trap efficiencies are approx. 40% (PSI) and approx. 30% (PSII). The PSI trap in A. marina is found to lie at 740+/-5 nm, in agreement with the value inferred from spectroscopic methods. The best fit of the model to the PA data identifies the PSII trap at 723+/-3 nm, supporting the view that the primary electron-donor is Chl d, probably at the accessory (ChlD1) site. A decrease in efficiency beyond the trap wavelength, consistent with uphill energy transfer, is clearly observed and fit by the model. These results demonstrate that the E-S efficiency in A. marina is not thermodynamically limited, suggesting that oxygenic photosynthesis is viable in even redder light environments.

Mielke, Steven P.↗
DOE OSTI2024

Towards a quantitative understanding of bonding in supersonic single particle impacts: A three-dimensional FIB-SEM exploration

Particle bonding is crucial to coating quality in cold spray, but it has been a challenge to accurately quantify bonding even in single particle impacts. This paper uses FIB-SEM to explicitly map the particle-substrate interface for Cu-on-Cu single microparticle impacts in a full 3D rendering that spans a wide range of impact velocities. This approach permits a detailed quantification of the total bonding area and all of its associated components. In addition to revealing why prior 2D characterization efforts have missed important details about impact bonding, these data quantitatively reveal the evolution of bonding from its onset at the “critical velocity” V cr (where bonding is generally poor, ∼6 %) to its peak at around 1.3‧V cr (where almost 90 % of the particle bonds). Further increase in the velocity to 1.5‧V cr and beyond finds the onset of hydrodynamic penetration and a decrease in bonding. These data then support the development of a simple analytical model based on oxide rarefication and extrusion of bare metal through gaps in the oxide layer as driving the development of bonding. As a result, the model reproduces the experiments and provides guidance on optimization of bonding as a function of material and process parameters.

Analytical methods↗
DOE OSTI2022

Updated neutrino mass constraints from galaxy clustering and CMB lensing-galaxy cross-correlation measurements

In this work, we revisit cosmological constraints on the sum of the neutrino masses Σm v from a combination of full-shape BOSS galaxy clustering [P(k)] data and measurements of the cross-correlation between Planck Cosmic Microwave Background (CMB) lensing convergence and BOSS galaxy overdensity maps [$C_{l}^{kg}$], using a simple but theoretically motivated model for the scale-dependent galaxy bias in auto- and cross-correlation measurements. We improve upon earlier related work in several respects, particularly through a more accurate treatment of the correlation and covariance between P(k) and $C_{l}^{kg}$ measurements. When combining these measurements with Planck CMB data, we find a 95% confidence level upper limit of Σm v sum of neutrino masses < 0.14 eV, while slightly weaker limits are obtained when including small-scale ACTPol CMB data, in agreement with our expectations. We confirm earlier findings that (once combined with CMB data) the full-shape information content is comparable to the geometrical information content in the reconstructed BAO peaks given the precision of current galaxy clustering data, discuss the physical significance of our inferred bias and shot noise parameters, and perform a number of robustness tests on our underlying model. While the inclusion of $C_{l}^{kg}$ measurements does not currently appear to lead to substantial improvements in the resulting Σm v of neutrino mass constraints, we expect the converse to be true for near-future galaxy clustering measurements, whose shape information content will eventually supersede the geometrical one.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Amphiphile Organization in Organic Solutions: An Alternative Explanation for Small-Angle X-ray Scattering Features in Malonamide/Alkane Mixtures

In this work, the role of different intermolecular interactions in the aggregation of amphiphiles in an organic solvent is studied for systems of relevance to liquid-liquid extraction (LLE), a chemical process used to selectively recover metals from complex mixtures. Of specific interest is the role, or lack thereof, of hydrogen bonding, which is often assumed to be a main driver of the organic phase structural organization that has been linked to separation efficacy. Toward that end, a series of malonamide extractants in n-dodecane have been studied in the absence of any extracted aqueous solutes, including water. The series of extractants includes N,N'-dimethyl-N,N'-dibutyltetradecylmalonamide (DMDBTDMA), two of its homologs, and N,N'-dimethyl-N,N'-dioctylhexylethoxymalonamide (DMDOHEMA). This simplified model LLE system enables systematic investigation of the role of dipole-dipole and alkyl tail steric interactions in amphiphile aggregation. Small-angle X-ray scattering (SAXS) profiles computed from molecular dynamics trajectories are in good agreement with experimental SAXS data. Molecular dynamics simulations show that malonamide aggregation results from dipole-driven self-association and lacks characteristic aggregate sizes. Mid-q correlation peaks in the SAXS profiles emerge at high concentration for each malonamide. In those densely packed solutions, the correlation peaks are observed to result from alkyl tail-induced spacing between electron-rich polar head groups, with peak positions determined by the different alkyl tail lengths present in the malonamide molecule. This explanation of the SAXS correlation peaks contrasts with the prevailing literature, which attributes mesoscale features observed in small-angle scattering to the formation of microemulsions. Instead, this work finds that these features are present in the absence of water or any reverse micellar organization of the malonamides. As such, molecular-scale malonamide self-association and packing, rather than microemulsion-based colloidal-scale descriptions, is a more appropriate framework for these LLE systems.

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

Atomic-Scale Characterization and Electronic Properties of Gold-Capped Niobium Films for Superconducting Qubits

Niobium thin films are central to superconducting qubits, but their complex native oxides contribute significantly to microwave losses. A promising mitigation strategy is to suppress oxide formation using engineered thin-film encapsulation layers. Recent experiments have shown that ∼10 nm metallic overlayers on Nb capacitor films can improve the energy relaxation time T1 of transmon qubits. Here, we present a comparative study of Au-capped Nb films fabricated in situ by molecular beam epitaxy and ex situ by sequential deposition benchmarked against bare Nb films. Using complementary structural, chemical, and spectroscopic techniques, we correlate the interface quality with superconducting electronic properties of the Au surface. Low-temperature scanning tunneling spectroscopy (STS) provides spatially resolved quasiparticle density-of-states maps. While both Au-capped Nb samples exhibit large areas with uniform, fully gapped density of states, clear differences emerge between the two interfaces. Compared to in situ Nb-Au, ex situ Nb-Au exhibits a reduced induced superconducting gap, broadened coherence peak, and localized in-gap states, consistent with a residual NbxOy layer at the interface. Supported by complementary structural and chemical analyses, these findings demonstrate that STS directly links nanoscale superconducting properties to interface preparation, highlighting the importance of controlled in situ encapsulation for minimizing dissipation and improving quantum coherence.

Makita, Junki [MIT; Temple U.] (ORCID:000000026889↗