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NASA NTRS1993

Lunar gravitational field estimation and the effects of mismodeling upon lunar satellite orbit prediction

Lunar spherical harmonic gravity coefficients are estimated from simulated observations of a near-circular low altitude polar orbiter disturbed by lunar mascons. Lunar gravity sensing missions using earth-based nearside observations with and without satellite-based far-side observations are simulated and least squares maximum likelihood estimates are developed for spherical harmonic expansion fit models. Simulations and parameter estimations are performed by a modified version of the Smithsonian Astrophysical Observatory's Planetary Ephemeris Program. Two different lunar spacecraft mission phases are simulated to evaluate the estimated fit models. Results for predicting state covariances one orbit ahead are presented along with the state errors resulting from the mismodeled gravity field. The position errors from planning a lunar landing maneuver with a mismodeled gravity field are also presented. These simulations clearly demonstrate the need to include observations of satellite motion over the far side in estimating the lunar gravity field. The simulations also illustrate that the eighth degree and order expansions used in the simulated fits were unable to adequately model lunar mascons.

Davis, John H.↗

DOE OSTI2022

Direct uranium enrichment assay in gaseous uranium hexafluoride with laser induced breakdown spectroscopy

A set of eleven U atomic emission lines, between 421.099 and 421.460 nm, were characterized for direct enrichment assay of gaseous UF 6 samples with laser induced breakdown spectroscopy (LIBS). Several iterative, multivariate nonlinear spectral-fitting algorithms were evaluated for their efficacies to extract the enrichment information from the measured LIBS spectra. Furthermore, wavelength-dependent weight factors, which take into consideration of the spectral-line position in the fitting model, the determined isotopic ratio, and the isotopic shift of the emission line, are essential for the spectral-fitting model to function adequately. The analytical accuracies and precision were typically within 0.5% in absolute [ 235 U/( 235 U + 238 U)] ratios.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2015

Ventilation/Perfusion Positron Emission Tomography—Based Assessment of Radiation Injury to Lung

Purpose: To investigate {sup 68}Ga-ventilation/perfusion (V/Q) positron emission tomography (PET)/computed tomography (CT) as a novel imaging modality for assessment of perfusion, ventilation, and lung density changes in the context of radiation therapy (RT). Methods and Materials: In a prospective clinical trial, 20 patients underwent 4-dimensional (4D)-V/Q PET/CT before, midway through, and 3 months after definitive lung RT. Eligible patients were prescribed 60 Gy in 30 fractions with or without concurrent chemotherapy. Functional images were registered to the RT planning 4D-CT, and isodose volumes were averaged into 10-Gy bins. Within each dose bin, relative loss in standardized uptake value (SUV) was recorded for ventilation and perfusion, and loss in air-filled fraction was recorded to assess RT-induced lung fibrosis. A dose-effect relationship was described using both linear and 2-parameter logistic fit models, and goodness of fit was assessed with Akaike Information Criterion (AIC). Results: A total of 179 imaging datasets were available for analysis (1 scan was unrecoverable). An almost perfectly linear negative dose-response relationship was observed for perfusion and air-filled fraction (r{sup 2}=0.99, P<.01), with ventilation strongly negatively linear (r{sup 2}=0.95, P<.01). Logistic models did not provide a better fit as evaluated by AIC. Perfusion, ventilation, and the air-filled fraction decreased 0.75 ± 0.03%, 0.71 ± 0.06%, and 0.49 ± 0.02%/Gy, respectively. Within high-dose regions, higher baseline perfusion SUV was associated with greater rate of loss. At 50 Gy and 60 Gy, the rate of loss was 1.35% (P=.07) and 1.73% (P=.05) per SUV, respectively. Of 8/20 patients with peritumoral reperfusion/reventilation during treatment, 7/8 did not sustain this effect after treatment. Conclusions: Radiation-induced regional lung functional deficits occur in a dose-dependent manner and can be estimated by simple linear models with 4D-V/Q PET/CT imaging. These findings may inform future studies of functional lung avoidance using V/Q PET/CT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA NTRS1999

1978-1988 Total Solar Irradiance (TSI) Variability Trends

Total solar irradiance (TSI), normalized to the mean earth-sun distance, is analyzed to assess long-term solar variability which may affect climate. TSI data sets are reviewed primarily from the 1984-1999 Earth Radiation Budgets Satellite (ERBS), 1978-1993 Nimbus7, 1980-1989 Solar Maximum Mission (SMM), 19911998 Upper Atmospheric Research Satellite (UARS), and 1996-1998 Solar and Heliospheric Observatory (SOHO)/ Variability of solar IRradiance and Gravity Oscillations (VIRGO) Spacecraft missions. The data sets indicate that 1365 W/sq m [Watts per meter square] is the most likely TSI amplitude at minimum solar magnetic activity as indicated by minimum sunspot numbers. The TSI long-term variability component was found to vary with a period of approximately 10 years and with an amplitude of 2 W/sq m. An empirical TSI fit model, based upon 10.7-cm solar radio fluxes and prompt photometric sunspot indices, was used to characterize TSI variability. Comparisons among TSI measurements and empirical fit trends are reviewed as well as inconsistencies among current spacecraft TSI data set trends. The 1996-1998, SOHO/VIRGO measurement indicate stronger TSI increasing trends than those suggested by the corresponding ERBS and UARS measurement and by the empirical model fit. 1978-1999 TSI data sets are analyzed to identify the probable existence of another long-term TSI variability component.

Lee, Robert B., III↗

NASA NTRS1994

Uniqueness of a solution of a steady state photochemical problem: Applications to Mars

Based on the conservation of chemical elements in chemical reactions, a rule is proved that the number of boundary conditions given by densities and/or non-zero velocities should not be less than the number of chemical elements in the system, and the components given by densities and velocities should include all elements in the system. Applications of this rule to Mars are considered. It is proved that a problem of CO2-H2O chemistry in the lower and middle atmosphere of Mars, say, in the range of 0-80 km does not have an unique solution, if only CO2 and H2O densities are given at the lower boundary, while all other boundary conditions are fluxes. Two models of this type are discussed. These models fit the same boundary conditions, are balanced with a relative uncertainty of 10(exp -4) for H2, and predict the O2, CO, and H2 mixing ratios which differ by order of magnitude. One more species density, e.g. that of O2, should be specified at the boundary to obtain the unique solution. The situation is better if the upper boundary is extended to the exobase where thermal escape velocities of H and H2 can be specified. However, in this case, either oxygen nonthermal escape rate or the O2 density at the surface should be given as the boundary condition. Two models of Mars' photochemistry, with and without nitrogen chemistry, are considered. The oxygen nonthermal escape rate of 1.2 x 10(exp 8) cm(exp -2) s(exp -1) is given at 240 km and is balanced with the total hydrogen escape rate within uncertainty of 1 percent for both models. Both models fit the measured O2 and CO mixing ratios, the O3 line absorption at 9.6 microns, and the O2 1.27 microns dayglow within the uncertainties of the measured values; although, the model without nitrogen chemistry fits better.

Krasnopolsky, V. A.↗

DOE OSTI2016

Low dose radiation risks for women surviving the a-bombs in Japan: generalized additive model

Background: Analyses of cancer mortality and incidence in Japanese A-bomb survivors have been used to estimate radiation risks, which are generally higher for women. Relative Risk (RR) is usually modelled as a linear function of dose. Extrapolation from data including high doses predicts small risks at low doses. Generalized Additive Models (GAMs) are flexible methods for modelling non-linear behaviour. Methods: GAMs are applied to cancer incidence in female low dose subcohorts, using anonymous public data for the 1958 – 1998 Life Span Study, to test for linearity, explore interactions, adjust for the skewed dose distribution, examine significance below 100 mGy, and estimate risks at 10 mGy. Results: For all solid cancer incidence, RR estimated from 0 – 100 mGy and 0 – 20 mGy subcohorts is significantly raised. The response tapers above 150 mGy. At low doses, RR increases with age-at-exposure and decreases with time-since-exposure, the preferred covariate. Using the empirical cumulative distribution of dose improves model fit, and capacity to detect non-linear responses. RR is elevated over wide ranges of covariate values. Results are stable under simulation, or when removing exceptional data cells, or adjusting neutron RBE. Estimates of Excess RR at 10 mGy using the cumulative dose distribution are 10 – 45 times higher than extrapolations from a linear model fitted to the full cohort. Below 100 mGy, quasipoisson models find significant effects for all solid, squamous, uterus, corpus, and thyroid cancers, and for respiratory cancers when age-at-exposure > 35 yrs. Results for the thyroid are compatible with studies of children treated for tinea capitis, and Chernobyl survivors. Results for the uterus are compatible with studies of UK nuclear workers and the Techa River cohort. Conclusion: Non-linear models find large, significant cancer risks for Japanese women exposed to low dose radiation from the atomic bombings. The risks should be reflected in protection standards.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2013

Estimating Ground-Level PM(sub 2.5) Concentrations in the Southeastern United States Using MAIAC AOD Retrievals and a Two-Stage Model

Previous studies showed that fine particulate matter (PM(sub 2.5), particles smaller than 2.5 micrometers in aerodynamic diameter) is associated with various health outcomes. Ground in situ measurements of PM(sub 2.5) concentrations are considered to be the gold standard, but are time-consuming and costly. Satellite-retrieved aerosol optical depth (AOD) products have the potential to supplement the ground monitoring networks to provide spatiotemporally-resolved PM(sub 2.5) exposure estimates. However, the coarse resolutions (e.g., 10 km) of the satellite AOD products used in previous studies make it very difficult to estimate urban-scale PM(sub 2.5) characteristics that are crucial to population-based PM(sub 2.5) health effects research. In this paper, a new aerosol product with 1 km spatial resolution derived by the Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm was examined using a two-stage spatial statistical model with meteorological fields (e.g., wind speed) and land use parameters (e.g., forest cover, road length, elevation, and point emissions) as ancillary variables to estimate daily mean PM(sub 2.5) concentrations. The study area is the southeastern U.S., and data for 2003 were collected from various sources. A cross validation approach was implemented for model validation. We obtained R(sup 2) of 0.83, mean prediction error (MPE) of 1.89 micrograms/cu m, and square root of the mean squared prediction errors (RMSPE) of 2.73 micrograms/cu m in model fitting, and R(sup 2) of 0.67, MPE of 2.54 micrograms/cu m, and RMSPE of 3.88 micrograms/cu m in cross validation. Both model fitting and cross validation indicate a good fit between the dependent variable and predictor variables. The results showed that 1 km spatial resolution MAIAC AOD can be used to estimate PM(sub 2.5) concentrations.

aerosol optical depth↗

DOE OSTI2016

A New Approach for Obtaining Cosmological Constraints from Type Ia Supernovae using Approximate Bayesian Computation

Cosmological parameter estimation techniques that robustly account for systematic measurement uncertainties will be crucial for the next generation of cosmological surveys. We present a new analysis method, superABC, for obtaining cosmological constraints from Type Ia supernova (SN Ia) light curves using Approximate Bayesian Computation (ABC) without any likelihood assumptions. The ABC method works by using a forward model simulation of the data where systematic uncertainties can be simulated and marginalized over. A key feature of the method presented here is the use of two distinct metrics, the `Tripp' and `Light Curve' metrics, which allow us to compare the simulated data to the observed data set. The Tripp metric takes as input the parameters of models fit to each light curve with the SALT-II method, whereas the Light Curve metric uses the measured fluxes directly without model fitting. We apply the superABC sampler to a simulated data set of $\sim$1000 SNe corresponding to the first season of the Dark Energy Survey Supernova Program. Varying $\Omega_m, w_0, \alpha$ and $\beta$ and a magnitude offset parameter, with no systematics we obtain $\Delta(w_0) = w_0^{\rm true} - w_0^{\rm best \, fit} = -0.036\pm0.109$ (a $\sim11$% 1$\sigma$ uncertainty) using the Tripp metric and $\Delta(w_0) = -0.055\pm0.068$ (a $\sim7$% 1$\sigma$ uncertainty) using the Light Curve metric. Including 1% calibration uncertainties in four passbands, adding 4 more parameters, we obtain $\Delta(w_0) = -0.062\pm0.132$ (a $\sim14$% 1$\sigma$ uncertainty) using the Tripp metric. Overall we find a $17$% increase in the uncertainty on $w_0$ with systematics compared to without. We contrast this with a MCMC approach where systematic effects are approximately included. We find that the MCMC method slightly underestimates the impact of calibration uncertainties for this simulated data set.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Extensions of BLUP Models for Genomic Prediction in Heterogeneous Populations: Application in a Diverse Switchgrass Sample

Genomic prediction is a useful tool to accelerate genetic gain in selection using DNA marker information. However, this technology typically relies on standard prediction procedures, such as genomic BLUP, that are not designed to accommodate population heterogeneity resulting from differences in marker effects across populations. In this study, we assayed different prediction procedures to capture marker-by-population interactions in genomic prediction models. Prediction procedures included genomic BLUP and two kernel-based extensions of genomic BLUP which explicitly accounted for population heterogeneity. To model population heterogeneity, dissemblance between populations was either depicted by a unique coefficient (as previously reported), or a more flexible function of genetic distance between populations (proposed herein). Models under investigation were applied in a diverse switchgrass sample under two validation schemes: whole-sample calibration, where all individuals except selection candidates are included in the calibration set, and cross-population calibration, where the target population is entirely excluded from the calibration set. First, we showed that using fixed effects, from principal components or putative population groups, appeared detrimental to prediction accuracy, especially in cross-population calibration. Then we showed that modelling population heterogeneity by our proposed procedure resulted in highly significant improvements in model fit. In such cases, gains in accuracy were often positive. These results suggest that population heterogeneity may be parsimoniously captured by kernel methods. However, in cases where improvement in model fit by our proposed procedure is null-to-moderate, ignoring heterogeneity should probably be preferred due to the robustness and simplicity of the standard genomic BLUP model.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Single-shot 3D coherent diffractive imaging of core-shell nanoparticles with elemental specificity

We report 3D coherent diffractive imaging (CDI) of Au/Pd core-shell nanoparticles with 6.1nm spatial resolution with elemental specificity. We measured single-shot diffraction patterns of the nanoparticles using intense x-ray free electron laser pulses. By exploiting the curvature of the Ewald sphere and the symmetry of the nanoparticle, we reconstructed the 3D electron density of 34 core-shell structures from these diffraction patterns. To extract 3D structural information beyond the diffraction signal, we implemented a super-resolution technique by taking advantage of CDI’s quantitative reconstruction capabilities. We used high-resolution model fitting to determine the Au core size and the Pd shell thickness to be 65.0±1.0nm and 4.0±0.5nm, respectively. We also identified the 3D elemental distribution inside the nanoparticles with an accuracy of 3%. To further examine the model fitting procedure, we simulated noisy diffraction patterns from a Au/Pd core-shell model and a solid Au model and confirmed the validity of the method. We anticipate this super-resolution CDI method can be generally used for quantitative 3D imaging of symmetrical nanostructures with elemental specificity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Removing flat directions in standard model EFT fits: How polarized electron-ion collider data can complement the LHC

We study the potential of future electron-ion collider (EIC) data to probe four-fermion operators in the Standard Model effective field theory (SMEFT). The ability to perform measurements with both polarized electron and proton beams at the EIC provides a powerful tool that can disentangle the effects from different SMEFT operators. We compare the potential constraints from an EIC with those obtained from Drell-Yan data at the Large Hadron Collider. We show that EIC data play an important complementary role since they probe combinations of Wilson coefficients not accessible through available Drell-Yan measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Forward Modeling of 3-D Ion Properties in Jupiter’s Magnetosphere Using Juno/JADE-I Data

The Jovian Auroral Distributions Experiment Ion sensor (JADE-I) on NASA’s Juno mission provides in-situ measurements of ions from 0.1 to 46.2 keV/q inside Jupiter’s magnetosphere. JADE-I is used to study the plasma with two types of datasets from the same measurement: Time-of-flight (TOF) and SPECIES. The TOF dataset provides mass-per-charge measurements with a range of 1–64 amu/q but oversamples particles over 6π steradian viewing per spacecraft spin and has little directional information. On the other hand, the SPECIES dataset can provide a good measurement of the flow direction but does not provide mass-per-charge information due to the telemetry limit. In this study, we developed a 2-step forward modeling method that combines the advantages and avoids the disadvantages of TOF and SPECIES data to derive the 3-D properties of heavy ions. Assuming that the ion velocity distribution can be described with the kappa distribution, we first perform the forward model fit of the TOF data to calculate the relative abundance of heavy ion species. Then we fix the relative abundance and perform the second forward model fit on the SPECIES data. Here, using this method, we obtain the densities of different heavy ions, the shared temperature and kappa value, and the 3-D flow velocity vector. Some data examples of the equatorial plasma disk before Perijove 24 are included to demonstrate the method. Plasma properties can then be mapped to explore spatial and temporal variabilities in Jupiter’s magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2013

Dynamic Black-Level Correction and Artifact Flagging in the Kepler Data Pipeline

Instrument-induced artifacts in the raw Kepler pixel data include time-varying crosstalk from the fine guidance sensor (FGS) clock signals, manifestations of drifting moiré pattern as locally correlated nonstationary noise and rolling bands in the images which find their way into the calibrated pixel time series and ultimately into the calibrated target flux time series. Using a combination of raw science pixel data, full frame images, reverse-clocked pixel data and ancillary temperature data the Keplerpipeline models and removes the FGS crosstalk artifacts by dynamically adjusting the black level correction. By examining the residuals to the model fits, the pipeline detects and flags spatial regions and time intervals of strong time-varying blacklevel (rolling bands ) on a per row per cadence basis. These flags are made available to downstream users of the data since the uncorrected rolling band artifacts could complicate processing or lead to misinterpretation of instrument behavior as stellar. This model fitting and artifact flagging is performed within the new stand-alone pipeline model called Dynablack. We discuss the implementation of Dynablack in the Kepler data pipeline and present results regarding the improvement in calibrated pixels and the expected improvement in cotrending performances as a result of including FGS corrections in the calibration. We also discuss the effectiveness of the rolling band flagging for downstream users and illustrate with some affected light curves.

Clarke, B. D.↗

DOE OSTI2021

Main-sequence Scatter is Real: The Joint Dependence of Galaxy Clustering on Star Formation and Stellar Mass

We present new measurements of the clustering of stellar-mass-complete samples of ∼40,000 SDSS galaxies at z ∼ 0.03 as a joint function of stellar mass and specific star formation rate (sSFR). Our results confirm what Coil et al. find at z ∼ 0.7: galaxy clustering is a stronger function of sSFR at fixed stellar mass than of stellar mass at fixed sSFR. We also find that galaxies above the star-forming main sequence (SFMS) with higher sSFR are less clustered than galaxies below the SFMS with lower sSFR, at a given stellar mass. A similar trend is present for quiescent galaxies. This confirms that main-sequence scatter, and scatter within the quiescent sequence, is physically connected to the large-scale cosmic density field. We compare the resulting galaxy bias versus sSFR, and relative bias versus sSFR ratio, for different galaxy samples across 0 < z < 1.2 to mock galaxy catalogs based on the empirical galaxy evolution model of Behroozi et al. This model fits PRIMUS and DEEP2 clustering data well at intermediate redshift, but agreement with SDSS is not as strong. We show that increasing the correlation between galaxy SFR and halo accretion rate at z ∼ 0 in the model substantially improves agreement with SDSS data. Mock catalogs suggest that central galaxies contribute substantially to the dependence of clustering on sSFR at a given stellar mass and that the signal is not simply an effect of satellite galaxy fraction differences with sSFR. Our results are highly constraining for galaxy evolution models and show that the stellar-to-halo mass relation depends on sSFR.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Characterizing 51 Eri b from 1 to 5 μm: A Partly Cloudy Exoplanet

We present spectrophotometry spanning 1–5 μm of 51 Eridani b, a 2–10 M{sub Jup} planet discovered by the Gemini Planet Imager Exoplanet Survey. In this study, we present new K1 (1.90–2.19 μm) and K2 (2.10–2.40 μm) spectra taken with the Gemini Planet Imager as well as an updated L {sub P} (3.76 μm) and new M {sub S} (4.67 μm) photometry from the NIRC2 Narrow camera. The new data were combined with J (1.13–1.35 μm) and H (1.50–1.80 μm) spectra from the discovery epoch with the goal of better characterizing the planet properties. The 51 Eri b photometry is redder than field brown dwarfs as well as known young T-dwarfs with similar spectral type (between T4 and T8), and we propose that 51 Eri b might be in the process of undergoing the transition from L-type to T-type. We used two complementary atmosphere model grids including either deep iron/silicate clouds or sulfide/salt clouds in the photosphere, spanning a range of cloud properties, including fully cloudy, cloud-free, and patchy/intermediate-opacity clouds. The model fits suggest that 51 Eri b has an effective temperature ranging between 605 and 737 K, a solar metallicity, and a surface gravity of log(g) = 3.5–4.0 dex, and the atmosphere requires a patchy cloud atmosphere to model the spectral energy distribution (SED). From the model atmospheres, we infer a luminosity for the planet of −5.83 to −5.93 (logL/L{sub ⊙}), leaving 51 Eri b in the unique position of being one of the only directly imaged planets consistent with having formed via a cold-start scenario. Comparisons of the planet SED against warm-start models indicate that the planet luminosity is best reproduced by a planet formed via core accretion with a core mass between 15 and 127 M{sub ⊕}.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Primeval very low-mass stars and brown dwarfs – VIII. The first age benchmark L subdwarf, a wide companion to a halo white dwarf

ABSTRACT We report the discovery of five white dwarf + ultracool dwarf systems identified as common proper motion wide binaries in the Gaia Catalogue of Nearby Stars. The discoveries include a white dwarf + L subdwarf binary, VVV 1256−62AB, a gravitationally bound system located 75.6$^{+1.9}_{-1.8}$ pc away with a projected separation of 1375$^{+35}_{-33}$ au. The primary is a cool DC white dwarf with a hydrogen dominated atmosphere, and has a total age of $10.5^{+3.3}_{-2.1}$ Gyr, based on white dwarf model fitting. The secondary is an L subdwarf with a metallicity of [M/H] = $-0.72^{+0.08}_{-0.10}$ (i.e. [Fe/H] = $-0.81\pm 0.10$) and $T_{\rm eff}$ = 2298$^{+45}_{-43}$ K based on atmospheric model fitting of its optical to near infrared spectrum, and likely has a mass just above the stellar/substellar boundary. The subsolar metallicity of the L subdwarf and the system’s total space velocity of 406 km s−1 indicates membership in the Galactic halo, and it has a flat eccentric Galactic orbit passing within 1 kpc of the centre of the Milky Way every $\sim$0.4 Gyr and extending to 15–31 kpc at apogal. VVV 1256−62B is the first L subdwarf to have a well-constrained age, making it an ideal benchmark of metal-poor ultracool dwarf atmospheres and evolution.

Zhang, Z. H. (ORCID:000000033047607X)↗

DOE OSTI2015

Direct comparisons of X-ray scattering and atomistic molecular dynamics simulations for precise acid copolymers and ionomers

Designing acid- and ion-containing polymers for optimal proton, ion, or water transport would benefit profoundly from predictive models or theories that relate polymer structures with ionomer morphologies. Recently, atomistic molecular dynamics (MD) simulations were performed to study the morphologies of precise poly(ethylene-co-acrylic acid) copolymer and ionomer melts. Here, we present the first direct comparisons between scattering profiles, I(q), calculated from these atomistic MD simulations and experimental X-ray data for 11 materials. This set of precise polymers has spacers of exactly 9, 15, or 21 carbons between acid groups and has been partially neutralized with Li, Na, Cs, or Zn. In these polymers, the simulations at 120 °C reveal ionic aggregates with a range of morphologies, from compact, isolated aggregates (type 1) to branched, stringy aggregates (type 2) to branched, stringy aggregates that percolate through the simulation box (type 3). Excellent agreement is found between the simulated and experimental scattering peak positions across all polymer types and aggregate morphologies. The shape of the amorphous halo in the simulated I(q) profile is in excellent agreement with experimental I(q). We found that the modified hard-sphere scattering model fits both the simulation and experimental I(q) data for type 1 aggregate morphologies, and the aggregate sizes and separations are in agreement. Given the stringy structure in types 2 and 3, we develop a scattering model based on cylindrical aggregates. Both the spherical and cylindrical scattering models fit I(q) data from the polymers with type 2 and 3 aggregates equally well, and the extracted aggregate radii and inter- and intra-aggregate spacings are in agreement between simulation and experiment. Furthermore, these dimensions are consistent with real-space analyses of the atomistic MD simulations. By combining simulations and experiments, the ionomer scattering peak can be associated with the average distance between branches of type 2 or 3 aggregates. Furthermore, this direct comparison of X-ray scattering data to the atomistic MD simulations is a substantive step toward providing a comprehensive, predictive model for ionomer morphology, gives substantial support for this atomistic MD model, and provides new credibility to the presence of stringy, branched, and percolated ionic aggregates in precise ionomer melts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2019

Multiple Rings of Millimeter Dust Emission in the HD 15115 Debris Disk

We present observations of the HD 15115 debris disk from the Atacama Large Millimeter/submillimeter Array (ALMA) at 1.3 mm that capture this intriguing system with the highest resolution (0."6 or 29 au) at millimeter wavelengths to date. This new ALMA image shows evidence for two rings in the disk separated by a cleared gap. By fitting models directly to the observed visibilities within a Markov Chain Monte Carlo framework, we are able to characterize the millimeter continuum emission and place robust constraints on the disk structure and geometry. In the best-fit model of a power-law disk with a Gaussian gap, the disk inner and outer edges are at 43.9 ± 5.8 au (0."89 ± 0."12) and 92.2 ± 2.4 au (1."88 ± 0."49), respectively, with a gap located at 58.9 ± 4.5 au (1."2 ± 0."10) with a fractional depth of 0.88 ± 0.10 and a width of 13.8 ± 5.6 au (0."28 ± 0."11). Because we do not see any evidence at millimeter wavelengths for the dramatic east–west asymmetry seen in scattered light, we conclude that this feature most likely results from a mechanism that only affects small grains. Using dynamical modeling and our constraints on the gap properties, we are able to estimate a mass for the possible planet sculpting the gap to be 0.16 ± 0.06 M(sub Jup).

MacGregor, Meredith A.↗