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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↗

DOE OSTI2014

Unveiling the structure of barred galaxies at 3.6 μm with the Spitzer survey of stellar structure in galaxies (S{sup 4}G). I. Disk breaks

We have performed two-dimensional multicomponent decomposition of 144 local barred spiral galaxies using 3.6 μm images from the Spitzer Survey of Stellar Structure in Galaxies. Our model fit includes up to four components (bulge, disk, bar, and a point source) and, most importantly, takes into account disk breaks. We find that ignoring the disk break and using a single disk scale length in the model fit for Type II (down-bending) disk galaxies can lead to differences of 40% in the disk scale length, 10% in bulge-to-total luminosity ratio (B/T), and 25% in bar-to-total luminosity ratios. We find that for galaxies with B/T ≥ 0.1, the break radius to bar radius, r {sub br}/R {sub bar}, varies between 1 and 3, but as a function of B/T the ratio remains roughly constant. This suggests that in bulge-dominated galaxies the disk break is likely related to the outer Lindblad resonance of the bar and thus moves outward as the bar grows. For galaxies with small bulges, B/T < 0.1, r {sub br}/R {sub bar} spans a wide range from 1 to 6. This suggests that the mechanism that produces the break in these galaxies may be different from that in galaxies with more massive bulges. Consistent with previous studies, we conclude that disk breaks in galaxies with small bulges may originate from bar resonances that may be also coupled with the spiral arms, or be related to star formation thresholds.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Viscosities and working region predictions for bismuth aluminoborosilicate glasses

Bismuth aluminoborosilicate glasses were prepared using a standard melt-quench technique, and the viscosity and thermal properties were measured and analyzed. Electron microprobe analysis was used to examine glass homogeneity. Fragility was calculated based on Mauro–Yue–Ellison–Gupta–Allan model fits to the viscosity curves. The system is characterized by an open structure with high fragility (44-59). Based on microanalysis and differential scanning calorimetry results, the addition of network intermediate Al2O3 appears to mitigate both phase separation and crystallization. From thermal property data, mixture models were created to predict the glass transition temperatures and softening temperatures as functions of composition. Based on K-fold validation findings, the first-order mixture model predictions of glass transition and softening appear to approximate actual values better than models with any additional second-order terms.

Gardner, Levi↗

DOE OSTI2021

Dark Energy Survey Year 3 Results: Deep Field optical + near-infrared images and catalogue

ABSTRACT We describe the Dark Energy Survey (DES) Deep Fields, a set of images and associated multiwavelength catalogue (ugrizJHKs) built from Dark Energy Camera (DECam) and Visible and Infrared Survey Telescope for Astronomy (VISTA) data. The DES Deep Fields comprise 11 fields (10 DES supernova fields plus COSMOS), with a total area of ∼30 sq. deg. in ugriz bands and reaching a maximum i-band depth of 26.75 (AB, 10σ, 2 arcsec). We present a catalogue for the DES 3-yr cosmology analysis of those four fields with full 8-band coverage, totalling 5.88 sq. deg. after masking. Numbering 2.8 million objects (1.6 million post-masking), our catalogue is drawn from images coadded to consistent depths of r = 25.7, i = 25, and z = 24.3 mag. We use a new model-fitting code, built upon established methods, to deblend sources and ensure consistent colours across the u-band to Ks-band wavelength range. We further detail the tight control we maintain over the point-spread function modelling required for the model fitting, astrometry and consistency of photometry between the four fields. The catalogue allows us to perform a careful star–galaxy separation and produces excellent photometric redshift performance (NMAD = 0.023 at i < 23). The Deep-Fields catalogue will be made available as part of the cosmology data products release, following the completion of the DES 3-yr weak lensing and galaxy clustering cosmology work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Network Models of Active Degradation Mechanisms and Pathways for Service Life Prediction of Indoor and Outdoor PV Modules

ct: PV service lifetime prediction (SLP) enables accurate calculation of levelized cost of energy (LCOE), which is crucial to rationalizing PV investment and installation. However, SLP is challeging since PV reliability in the field is affected by many combined factors, including various environmental stresses and module quality. In order to map out the active degradation mechanisms and pathways that best resemble real world conditions, we introduce the framework of a study protocol and use network models fitted to data, to enable analysis and SLP of complex PV systems with multiple active degradation mechanisms. The study protocol is the experimental design, including module variants and different exposure conditions, selection of evaluation methods, time-series data acquisition and training of network models to these data. We present SLP of minimodules in the lab and PV systems in the field. For lab SLP, minimodules with 8 variants based on manufacturer, architecture, and encapsulation were prepared and aged in modified damp heat with or without full spectrum light exposure. Stepwise I-V and Suns-Voc data acquisition tracks changes in electrical properties including Rs,IV, Isc,IV, Vmp,PIV providing insights into power loss of minimodules. Network structural equation modeling (netSEM) was utilized to construct degradation pathway models that identify active degradation mechanisms and predict power loss over time. For field SLP, datastreams of Pmp values and I-V curve datastreams of two types of modules installed in three distinctly different Köppen-Geiger climate zones for 9 years were acquired. With power loss modes corresponding to uniform current loss (ΔPIsc), recombination (ΔPVoc), series resistance (ΔPRs), and current mismatch (ΔPImis) determined, the performance loss rates (PLR) were determined using PVplr. We show how to establish a study protocol framework to ensure appropriate parametric variations and valid data collection from the variants of your complex systems. Then the data-driven netSEM model fitting provides a comprehensive mapping of multiple active degradation mechanisms, and accurate service life prediction.

network model, degradation, photovoltaic, solar↗

DOE OSTI2016

NR sulphur vulcanization: Interaction study between TBBS and DPG by means of a combined experimental rheometer and meta-model best fitting strategy

The paper is aimed at studying the possible interaction between two different accelerators (DPG and TBBS) in the chemical kinetic of Natural Rubber (NR) vulcanized with sulphur. The same blend with several DPG and TBBS concentrations is deeply analyzed from an experimental point of view, varying the curing temperature in the range 150-180°C and obtaining rheometer curves with a step of 10°C. In order to study any possible interaction between the two accelerators –and eventually evaluating its engineering relevance-rheometer data are normalized by means of the well known Sun and Isayev normalization approach and two output parameters are assumed as meaningful to have an insight into the possible interaction, namely time at maximum torque and reversion percentage. Two different numerical meta-models, which belong to the family of the so-called response surfaces RS are compared. The first is linear against TBBS and DPG and therefore well reproduces no interaction between the accelerators, whereas the latter is a non-linear RS with bilinear term. Both RS are deduced from standard best fitting of experimental data available. It is found that, generally, there is a sort of interaction between TBBS and DPG, but that the error introduced making use of a linear model (no interaction) is generally lower than 10%, i.e. fully acceptable from an engineering standpoint.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2013

MODELING THE NUCLEAR INFRARED SPECTRAL ENERGY DISTRIBUTION OF TYPE II ACTIVE GALACTIC NUCLEI

We present results from model fitting to the spectral energy distribution (SED) of a homogeneous sample of Seyfert II galaxies drawn from the 12 {mu}m Galaxy Sample. Imaging and nuclear flux measurements are presented in an accompanying paper. Here we add Spitzer/IRS observations to further constrain the SEDs after careful subtraction of a starburst component. We use the library of CLUMPY torus models from Nenkova et al. and also test the two-phase models recently produced by Stalevski et al. We find that photometric and spectroscopic observations in the mid-IR ({lambda} {approx}> 5 {mu}m) are crucial to properly constrain the best-fit torus models. About half of our sources show clear near-IR excess of their SEDs above the best-fit models. This problem can be less severe when using the Stalevski et al. models. The nature of this emission is not clear since best-fitted blackbody temperatures are very high ({approx}1700-2500 K) and the Type II classification of our sources would correspond to a small probability to peer directly into the hottest regions of the torus. Crucially, the derived torus parameters are quite robust when using CLUMPY models, independently of whether or not the sources require an additional blackbody component. Our findings suggest that tori are characterized by N{sub 0}{approx}>5, {sigma} {approx}> 40, {tau} {approx}< 25, Angle i {approx}> 40 Degree-Sign , Y {approx}< 50, and A {sup los} {sub v} {approx} 100-300, where N{sub 0} is the number of clouds in the equatorial plane of the torus, {sigma} is the characteristic opening angle of the cloud distribution, {tau} is the opacity of a single cloud, Angle i is the line-of-sight orientation of the torus, Y is the ratio of the inner to the outer radii, and A {sup los} {sub v} is the total opacity along the line of sight. From these, we can determine typical torus sizes and masses of 0.1-5.0 pc and 10{sup 4}-10{sup 6} M {sub Sun }, respectively. We find tentative evidence that those nuclei with detected hidden broad-line regions are characterized by lower levels of extinction than those without one. Finally, we find no correlation between the torus properties and the presence of circumnuclear or more global star formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Interpretation of solution scattering data from lipid nanodiscs

The structural information contained in solution scattering data from empty lipid nanodiscs is examined in the context of a multi-component geometric model. X-ray scattering data were collected on nanodiscs of different compositions at scattering vector magnitudes up to 2.0 Å −1 . Through the calculation of the partial form factor for each of the nanodisc components before the isotropic average, structural parameters in the model were correlated to the features observed in the X-ray scattering data and to the corresponding distance distribution function. It is shown that, in general, the features at ∼0.3–0.6 Å −1 in the scattering data correlate to the bilayer structure. The data also support the argument that the elliptical shape of nanodiscs found in model fitting is physical, rather than an artefact due to the nanodisc size distribution. The lipid chain packing peak at ∼1.5 Å −1 is visible in the data and reflects the lipid bilayer phase transition. The shape change in the distance distribution function across the phase transition suggests that the nanodiscs are more circular in the fluid phase. The implication of these findings for model fitting of empty and protein-loaded nanodiscs is discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2013

STELLAR AGES AND CONVECTIVE CORES IN FIELD MAIN-SEQUENCE STARS: FIRST ASTEROSEISMIC APPLICATION TO TWO KEPLER TARGETS

Using asteroseismic data and stellar evolution models we obtain the first detection of a convective core in a Kepler field main-sequence star, putting a stringent constraint on the total size of the mixed zone and showing that extra mixing beyond the formal convective boundary exists. In a slightly less massive target the presence of a convective core cannot be conclusively discarded, and thus its remaining main-sequence lifetime is uncertain. Our results reveal that best-fit models found solely by matching individual frequencies of oscillations corrected for surface effects do not always properly reproduce frequency combinations. Moreover, slightly different criteria to define what the best-fit model is can lead to solutions with similar global properties but very different interior structures. We argue that the use of frequency ratios is a more reliable way to obtain accurate stellar parameters, and show that our analysis in field main-sequence stars can yield an overall precision of 1.5%, 4%, and 10% in radius, mass, and age, respectively. We compare our results with those obtained from global oscillation properties, and discuss the possible sources of uncertainties in asteroseismic stellar modeling where further studies are still needed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

EVIDENCE FOR A PHOTOSPHERIC COMPONENT IN THE PROMPT EMISSION OF THE SHORT GRB 120323A AND ITS EFFECTS ON THE GRB HARDNESS-LUMINOSITY RELATION

The short GRB 120323A had the highest flux ever detected with the Gamma-Ray Burst Monitor on board the Fermi Gamma-Ray Space Telescope. Here we study its remarkable spectral properties and their evolution using two spectral models: (1) a single emission component scenario, where the spectrum is modeled by the empirical Band function (a broken power law), and (2) a two-component scenario, where thermal (a Planck-like function) emission is observed simultaneously with a non-thermal component (a Band function). We find that the latter model fits the integrated burst spectrum significantly better than the former, and that their respective spectral parameters are dramatically different: when fit with a Band function only, the E{sub peak} of the event is unusually soft for a short gamma-ray burst (GRB; 70 keV compared to an average of 300 keV), while adding a thermal component leads to more typical short GRB values (E{sub peak} {approx} 300 keV). Our time-resolved spectral analysis produces similar results. We argue here that the two-component model is the preferred interpretation for GRB 120323A based on (1) the values and evolution of the Band function parameters of the two component scenario, which are more typical for a short GRB, and (2) the appearance in the data of a significant hardness-intensity correlation, commonly found in GRBs, when we employee two-component model fits; the correlation is non-existent in the Band-only fits. GRB 110721A, a long burst with an intense photospheric emission, exhibits the exact same behavior. We conclude that GRB 120323A has a strong photospheric emission contribution, observed for the first time in a short GRB. Magnetic dissipation models are difficult to reconcile with these results, which instead favor photospheric thermal emission and fast cooling synchrotron radiation from internal shocks. Finally, we derive a possibly universal hardness-luminosity relation in the source frame using a larger set of GRBs (L{sub i}{sup Band} = (1.59 {+-} 0.84) x 10{sup 50} (E{sub peak,i}){sup 1.33{+-}0.07} erg s{sup -1}), which could be used as a possible redshift estimator for cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

STRUCTURAL PARAMETERS FOR GLOBULAR CLUSTERS IN M31

In this paper, we present surface brightness profiles for 79 globular clusters in M31, using images observed with the Hubble Space Telescope, some of which are from new observations. The structural and dynamical parameters are derived from fitting the profiles to several different models for the first time. The results show that in the majority of cases, King models fit the M31 clusters just as well as Wilson models and better than Sersic models. However, there are 11 clusters best fitted by Sersic models with the Sersic index n > 2, meaning that they have cuspy central density profiles. These clusters may be the well-known core-collapsed candidates. There is a bimodality in the size distribution of M31 clusters at large radii, which is different from their Galactic counterparts. In general, the properties of clusters in M31 and the Milky Way fall in the same regions of parameter spaces. The tight correlations of cluster properties indicate a ''fundamental plane'' for clusters, which reflects some universal physical conditions and processes operating at the epoch of cluster formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Event Horizon Telescope imaging of the archetypal blazar 3C 279 at an extreme 20 microarcsecond resolution

3C 279 is an archetypal blazar with a prominent radio jet that show broadband flux density variability across the entire electromagnetic spectrum. We use an ultra-high angular resolution technique – global Very Long Baseline Interferometry (VLBI) at 1.3 mm (230 GHz) – to resolve the innermost jet of 3C 279 in order to study its fine-scale morphology close to the jet base where highly variable γ-ray emission is thought to originate, according to various models. The source was observed during four days in April 2017 with the Event Horizon Telescope at 230 GHz, including the phased Atacama Large Millimeter/submillimeter Array (ALMA), at an angular resolution of ∼20 μas (at a redshift of z = 0.536 this corresponds to ∼0.13 pc ∼ 1700 Schwarzschild radii with a black hole mass MBH = 8 × 108 M⊙). Imaging and model-fitting techniques were applied to the data to parameterize the fine-scale source structure and its variation. We find a multicomponent inner jet morphology with the northernmost component elongated perpendicular to the direction of the jet, as imaged at longer wavelengths. The elongated nuclear structure is consistent on all four observing days and across different imaging methods and model-fitting techniques, and therefore appears robust. Owing to its compactness and brightness, we associate the northern nuclear structure as the VLBI “core”. This morphology can be interpreted as either a broad resolved jet base or a spatially bent jet. We also find significant day-to-day variations in the closure phases, which appear most pronounced on the triangles with the longest baselines. Our analysis shows that this variation is related to a systematic change of the source structure. Two inner jet components move non-radially at apparent speeds of ∼15 c and ∼20 c (∼1.3 and ∼1.7 μas day−1, respectively), which more strongly supports the scenario of traveling shocks or instabilities in a bent, possibly rotating jet. The observed apparent speeds are also coincident with the 3C 279 large-scale jet kinematics observed at longer (cm) wavelengths, suggesting no significant jet acceleration between the 1.3 mm core and the outer jet. The intrinsic brightness temperature of the jet components are ≲1010 K, a magnitude or more lower than typical values seen at ≥7 mm wavelengths. The low brightness temperature and morphological complexity suggest that the core region of 3C 279 becomes optically thin at short (mm) wavelengths.Key words: galaxies: active / galaxies: jets / galaxies: individual: 3C 279 / techniques: interferometric⋆ The data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/cat/J/A+A/640/A69 and at https://eventhorizontelescope.org/for-astronomers/data⋆⋆ Deceased.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

GALACTIC COSMIC RAYS IN THE LOCAL INTERSTELLAR MEDIUM: VOYAGER 1 OBSERVATIONS AND MODEL RESULTS

Since 2012 August Voyager 1 has been observing the local interstellar energy spectra of Galactic cosmic-ray nuclei down to 3 MeV nuc{sup -1} and electrons down to 2.7 MeV. The H and He spectra have the same energy dependence between 3 and 346 MeV nuc{sup -1}, with a broad maximum in the 10–50 MeV nuc{sup -1} range and a H/He ratio of 12.2 ± 0.9. The peak H intensity is ∼15 times that observed at 1 AU, and the observed local interstellar gradient of 3–346 MeV H is -0.009 ± 0.055% AU{sup -1}, consistent with models having no local interstellar gradient. The energy spectrum of electrons ( e {sup -} + e {sup +}) with 2.7–74 MeV is consistent with E {sup -1.30±0.05} and exceeds the H intensity at energies below ∼50 MeV. Propagation model fits to the observed spectra indicate that the energy density of cosmic-ray nuclei with >3 MeV nuc{sup -1} and electrons with >3 MeV is 0.83–1.02 eV cm{sup -3} and the ionization rate of atomic H is in the range of 1.51–1.64 × 10{sup -17} s{sup -1}. This rate is a factor >10 lower than the ionization rate in diffuse interstellar clouds, suggesting significant spatial inhomogeneity in low-energy cosmic rays or the presence of a suprathermal tail on the energy spectrum at much lower energies. The propagation model fits also provide improved estimates of the elemental abundances in the source of Galactic cosmic rays.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

MASS CALIBRATION AND COSMOLOGICAL ANALYSIS OF THE SPT-SZ GALAXY CLUSTER SAMPLE USING VELOCITY DISPERSION σ {sub v} AND X-RAY Y {sub X} MEASUREMENTS

We present a velocity-dispersion-based mass calibration of the South Pole Telescope Sunyaev-Zel'dovich effect survey (SPT-SZ) galaxy cluster sample. Using a homogeneously selected sample of 100 cluster candidates from 720 deg{sup 2} of the survey along with 63 velocity dispersion (σ {sub v}) and 16 X-ray Y {sub X} measurements of sample clusters, we simultaneously calibrate the mass-observable relation and constrain cosmological parameters. Our method accounts for cluster selection, cosmological sensitivity, and uncertainties in the mass calibrators. The calibrations using σ {sub v} and Y {sub X} are consistent at the 0.6σ level, with the σ {sub v} calibration preferring ∼16% higher masses. We use the full SPT{sub CL} data set (SZ clusters+σ {sub v}+Y {sub X}) to measure σ{sub 8}(Ω{sub m}/0.27){sup 0.3} = 0.809 ± 0.036 within a flat ΛCDM model. The SPT cluster abundance is lower than preferred by either the WMAP9 or Planck+WMAP9 polarization (WP) data, but assuming that the sum of the neutrino masses is ∑m {sub ν} = 0.06 eV, we find the data sets to be consistent at the 1.0σ level for WMAP9 and 1.5σ for Planck+WP. Allowing for larger ∑m {sub ν} further reconciles the results. When we combine the SPT{sub CL} and Planck+WP data sets with information from baryon acoustic oscillations and Type Ia supernovae, the preferred cluster masses are 1.9σ higher than the Y {sub X} calibration and 0.8σ higher than the σ {sub v} calibration. Given the scale of these shifts (∼44% and ∼23% in mass, respectively), we execute a goodness-of-fit test; it reveals no tension, indicating that the best-fit model provides an adequate description of the data. Using the multi-probe data set, we measure Ω{sub m} = 0.299 ± 0.009 and σ{sub 8} = 0.829 ± 0.011. Within a νCDM model we find ∑m {sub ν} = 0.148 ± 0.081 eV. We present a consistency test of the cosmic growth rate using SPT clusters. Allowing both the growth index γ and the dark energy equation-of-state parameter w to vary, we find γ = 0.73 ± 0.28 and w = –1.007 ± 0.065, demonstrating that the expansion and the growth histories are consistent with a ΛCDM universe (γ = 0.55; w = –1)

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

The Rapid Reddening and Featureless Optical Spectra of the Optical Counterpart of GW170817, AT 2017gfo, during the First Four Days

We present the spectroscopic evolution of AT 2017gfo, the optical counterpart of the first binary neutron star (BNS) merger detected by LIGO and Virgo, GW170817. While models have long predicted that a BNS merger could produce a kilonova (KN), we have not been able to definitively test these models until now. From one day to four days after the merger, we took five spectra of AT 2017gfo before it faded away, which was possible because it was at a distance of only 39.5 Mpc in the galaxy NGC 4993. The spectra evolve from blue (∼6400 K) to red (∼3500 K) over the three days we observed. The spectra are relatively featureless—some weak features exist in our latest spectrum, but they are likely due to the host galaxy. However, a simple blackbody is not sufficient to explain our data: another source of luminosity or opacity is necessary. Predictions from simulations of KNe qualitatively match the observed spectroscopic evolution after two days past the merger, but underpredict the blue flux in our earliest spectrum. From our best-fit models, we infer that AT 2017gfo had an ejecta mass of 0.03 M{sub ⊙}, high ejecta velocities of 0.3c, and a low mass fraction ∼10{sup −4} of high-opacity lanthanides and actinides. One possible explanation for the early excess of blue flux is that the outer ejecta is lanthanide-poor, while the inner ejecta has a higher abundance of high-opacity material. With the discovery and follow-up of this unique transient, combining gravitational-wave and electromagnetic astronomy, we have arrived in the multi-messenger era.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

An integrated model-driven method for in-treatment upper airway motion tracking using cine MRI in head and neck radiation therapy

Purpose: For the first time, MRI-guided radiation therapy systems can acquire cine images to dynamically monitor in-treatment internal organ motion. However, the complex head and neck (H&N) structures and low-contrast/resolution of on-board cine MRI images make automatic motion tracking a very challenging task. In this study, the authors proposed an integrated model-driven method to automatically track the in-treatment motion of the H&N upper airway, a complex and highly deformable region wherein internal motion often occurs in an either voluntary or involuntary manner, from cine MRI images for the analysis of H&N motion patterns. Methods: Considering the complex H&N structures and ensuring automatic and robust upper airway motion tracking, the authors firstly built a set of linked statistical shapes (including face, face-jaw, and face-jaw-palate) using principal component analysis from clinically approved contours delineated on a set of training data. The linked statistical shapes integrate explicit landmarks and implicit shape representation. Then, a hierarchical model-fitting algorithm was developed to align the linked shapes on the first image frame of a to-be-tracked cine sequence and to localize the upper airway region. Finally, a multifeature level set contour propagation scheme was performed to identify the upper airway shape change, frame-by-frame, on the entire image sequence. The multifeature fitting energy, including the information of intensity variations, edge saliency, curve geometry, and temporal shape continuity, was minimized to capture the details of moving airway boundaries. Sagittal cine MR image sequences acquired from three H&N cancer patients were utilized to demonstrate the performance of the proposed motion tracking method. Results: The tracking accuracy was validated by comparing the results to the average of two manual delineations in 50 randomly selected cine image frames from each patient. The resulting average dice similarity coefficient (93.28% ± 1.46%) and margin error (0.49 ± 0.12 mm) showed good agreement between the automatic and manual results. The comparison with three other deformable model-based segmentation methods illustrated the superior shape tracking performance of the proposed method. Large interpatient variations of swallowing frequency, swallowing duration, and upper airway cross-sectional area were observed from the testing cine image sequences. Conclusions: The proposed motion tracking method can provide accurate upper airway motion tracking results, and enable automatic and quantitative identification and analysis of in-treatment H&N upper airway motion. By integrating explicit and implicit linked-shape representations within a hierarchical model-fitting process, the proposed tracking method can process complex H&N structures and low-contrast/resolution cine MRI images. Future research will focus on the improvement of method reliability, patient motion pattern analysis for providing more information on patient-specific prediction of structure displacements, and motion effects on dosimetry for better H&N motion management in radiation therapy.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Soil Water Retention and Hydraulic Conductivity Data and Model at Snodgrass Mountain in East River Watershed, Colorado 2020-2025

This data package includes soil water retention and hydraulic conductivity data and model fitting results from measurements of ex-situ soil samples and in-situ soil sensors at Snodgrass Mountain. Soil water retention curves (SWRC) characterize soil water content as a function of soil water potential. SWRC depends on soil texture and pore structure and can be used to describe the constraints on biogeochemical processes in terms of soil water availability. In this data package, the sample identification follows the format SG-X-Y, where SG refers to Snodgrass Mountain, X is the location identifier, and Y is the depth identifier at the same X (shallow Y=1). Specifically, SG-EHS is associated with ecohydrology sites under the East-Taylor Watershed Community Observatory Sites directory, and SG-ERTn (upslope n=1) are points along the Snodgrass electrical resistivity tomography transect not associated with the existing site names in the directory. The sample and location information can be found in metadata.csv. Sampling and Measurements Each sample falls into one of the three sampling methods – (1) intact cores, (2) repacked samples, or (3) soil sensors – and one of the two measurement methods – (a) laboratory or (b) in-situ. Both intact cores and repacked samples were measured using the laboratory methods, which include measurements of soil water potential (HYPROP & WP4C, METER), saturated (KSAT, METER) and unsaturated hydraulic conductivity (HYPROP). The in-situ method uses a pair of co-located soil sensors to measure volumetric water content (TEROS12, METER) and soil water potential (TEROS21, METER), and the hydraulic conductivity was not measured. In comparison, the laboratory methods progress from full saturation to dry conditions, and the in-situ method includes both dry-to-wet and wet-to-dry cycles. The sampling and measurement methods for each sample can be found in metadata.csv, and more information about the measurements is detailed in the Methods section below. Models Retention and hydraulic conductivity data were fitted with four van-Genuchten-type models (specified by “model_name” column in the files): (1) traditional constrained van Genuchten model (“vG_constrained”), (2) traditional unconstrained van Genuchten model (“vG_unconstrained”), (3) PDI-variant of the constrained van Genuchten model (“vG_constrained_PDI”), and (4) PDI-variant of the unconstrained van Genuchten model (“vG_unconstrained_PDI”). The difference between the constrained (1: n) and the unconstrained (2: n, m) van Genuchten models is the number of pore-size distribution parameters in the model equations, giving the unconstrained model more degrees of freedom when fitting the data. Between the traditional and the PDI-variant models, model fitting differs the most at the dry end of the measurements. The traditional models allow infinite suction at the residual water content (water content does not drop below residual water content), and the PDI-variant models enforce a soil water potential value of pF=6.8 (~ -630 MPa) at oven-dryness (water content reaches 0). The inclusion of the van-Genuchten-type models is due to their common application. If other retention models are required, users can access the data in data.csv for further data fitting. More information about the models can be found in the Methods section below. Fitting Tasks The model fitting can be categorized into three levels of tasks (specified by “fitting_task” column in the files). Level 1 (“fit_retention”) only includes retention data fitting (the only level available for the in-situ method). Level 2 (“fit_retention_conductivity”) includes both retention and hydraulic conductivity data fitting, and the saturated hydraulic conductivity (Ks, a parameter of the hydraulic conductivity functions) is fixed by the measurements from KSAT. Level 3 (“fit_retention_conductivity_Ks”) also includes both retention and hydraulic conductivity data fitting, but Ks is a fitted parameter without the constraints from KSAT measurements. Among the same retention models (e.g. vG_constrained models of the same sample), level 1 should produce the best retention data fitting. Level 2 should have the highest misfit of the retention and hydraulic conductivity data, because the retention and hydraulic conductivity functions share common model parameters, and the unsaturated hydraulic conductivity (HYPROP) data fitting is subject to Ks measured independently by KSAT. Level 3 should have mid-level misfits of the retention and hydraulic conductivity data. While level 3 fits the hydraulic conductivity data better than level 2, the fitted Ks value might be unreasonable due to the lack of constraints at the wet end of the measurements. General recommendation when using this data package: (1) Choice of sampling methods: Intact cores and in-situ soil sensors could be prioritized because these sampling methods are less destructive. While the repacked samples were packed to the target bulk density (estimated post-sampling, when sample volume was known), these samples had altered pore structures. Nevertheless, intact cores might suffer from sample gaps that would lead to overestimation of Ks (sample gaps can be inferred from the “soil_sample_volume” column in metadata.csv when the value is < 249). In-situ method also has higher uncertainty in characterizing the wet end of the SWRC because of sensor limitations and the difficulty in reaching full saturation under natural conditions. (2) Choice of fitting tasks: When only retention data is needed, level 1 (“fit_retention”) should be prioritized. When both retention and hydraulic conductivity data are needed, level 2 (“fit_retention_conductivity”) could be prioritized. (3) Choice of models: This could depend on what the downstream models call for. If no specific model is required, model misfit could be used as a ranking criterion. Model misfit values in terms of RMSE can be found in model_parameters.csv. The following files are included in this data package: (1) metadata.csv – This file includes the general information of each sample, including location (description, geocoordinates, elevation), sampling and measurements details (method, depth, time or period, volume, instruments), and soil physical properties (bulk density, saturated hydraulic conductivity, only applicable to physical soil samples). (2) data.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity data of each sample. Column “instrument” specifies the instrument (HYPROP, WP4C, or TEROS) used to perform the measurements. (3) model_fit.csv – This file includes soil water potential, volumetric water content, and unsaturated hydraulic conductivity fitted from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the variable does not apply to that fitting task. (4) model_parameters.csv – This file includes the fitted model parameters, model misfits, and conventional water content thresholds (field capacity and wilting point) from the four models and three fitting tasks. Column “model_name” specifies the retention model used, and “fitting_task” specifies the level of data fitting. Missing values indicate that the parameter does not apply to that model and/or that fitting task. (5) data_Ks.csv – This file includes the saturated hydraulic conductivity measurements from KSAT. (6) /figure/*.png – This folder includes three quick visualizations of the data, retention model fitting results and misfits, and hydraulic conductivity model fitting results, misfits, and parameters. The model fitting results are separated by samples and fitting tasks and colored by models. Zoom-in required. (7) /hyprop/*.bdhx – This folder includes proprietary hyprop files that require the free Labros SoilView-Analysis (METER) to open. Users can explore data fitting using other retention models (i.e. Brooks-Corey, Fredlund-Xing, Kosugi, bimodal models). Be aware that Ks value is pre-entered under “Fitting tab, Conductivity functions parameters” for level 2 fitting. If the value is lost, please refer to metadata.csv under “Ks” column. (8) Six file-level metadata that summarize file, header, column, and variable information of all files. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

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