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DOE OSTI2023

Ultimate: Birdshot (Final Technical Report)

In ULTIMATE Phase 1, BIRDSHOT aimed to discover alloys capable of operating reliably above 1300°C, compatible with coatings. The challenge addressed by BIRDSHOT is how to find suitable alloys in the vast refractory high entropy alloy (RHEA) space efficiently and effectively, under stringent resource constraints? This challenge is unsolvable with traditional alloy R&D approaches; however, using a closed-loop multi-objective, multi-information source Bayesian approach to alloy design, we made significant progress in solving this materials design problem.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Final Scientific/Technical Report Rapid Design and Manufacturing of High-Performance Materials for Turbine Blades

This research demonstrated the concept of carbide precipitation-strengthened refractory high entropy alloys (RHEA). The advantage of a precipitation strengthened alloy is all phases are in thermodynamic equilibrium promoting microstructural stability, and consequently retention of properties at elevated temperatures. Additionally, as with any precipitation strengthened – or age hardened alloy, components can be heat-treated after manufacturing to manipulate the microstructure and optimize properties for performance. This is an advantage of the precipitation strengthened alloys over composites and ceramics materials, where the microstructure and properties are essentially fixed upon the initial materials manufacturing stage. High throughput (HT), multi-scale computer modeling was used to identifying novel RHEA compositions with desired characteristics needed for precipitation strengthening. The results showed that carbides precipitated and consequently, the strength of the alloys (measured in compression) increased after heat-treatment, which is the desired effect. The project also demonstrated the feasibility of producing articles from RHEA by additive manufacturing (AM).

36 MATERIALS SCIENCE↗

DOE OSTI2025

Dynamic Heat Flow and Current Distribution Analysis in the Bottom Anode of an Electric Arc Furnace Using Fiber-Optic Sensors

A reliable method for monitoring bottom anode wear during DC Electric Arc Furnace (DC-EAF) operation is of critical importance for safe and efficient steel production. Underestimation of bottom wear poses a serious safety risk that must be avoided, while overestimation of bottom wear also poses challenges, as premature anode replacement is expensive and affects EAF productivity. Previously, we demonstrated that fiber-optic sensors can be successfully deployed to create a spatially distributed temperature map to monitor the health of the anode. The present work explores the heat flow and current density distribution in bottom anode pins to predict bottom wear, steel penetration events, and monitor refractory erosion. Small dynamic variations in pin temperature induced by joule heating during arcing also provide a means to observe local current flows in each pin. When mapped, these measurements provide a real-time view of the non-uniform and dynamic current flow in the bottom anode during EAF operation that can affect bottom wear.

Bottom Anode↗

DOE OSTI2016

THE MAGELLAN PFS PLANET SEARCH PROGRAM: RADIAL VELOCITY AND STELLAR ABUNDANCE ANALYSES OF THE 360 au, METAL-POOR BINARY “TWINS” HD 133131A and B

We present a new precision radial velocity (RV) data set that reveals multiple planets orbiting the stars in the ~360 au, G2+G2 “twin” binary HD 133131AB. Our six years of high-resolution echelle observations from MIKE and five years from the Planet Finder Spectrograph (PFS) on the Magellan telescopes indicate the presence of two eccentric planets around HD 133131A with minimum masses of 1.43 ± 0.03 and 0.63 ± 0.15 M{sub J} at 1.44 ± 0.005 and 4.79 ± 0.92 au, respectively. Additional PFS observations of HD 133131B spanning five years indicate the presence of one eccentric planet of minimum mass 2.50 ± 0.05 M{sub J} at 6.40 ± 0.59 au, making it one of the longest-period planets detected with RV to date. These planets are the first to be reported primarily based on data taken with the PFS on Magellan, demonstrating the instrument’s precision and the advantage of long-baseline RV observations. We perform a differential analysis between the Sun and each star, and between the stars themselves, to derive stellar parameters and measure a suite of 21 abundances across a wide range of condensation temperatures. The host stars are old (likely ~9.5 Gyr) and metal-poor ([Fe/H] ~ -0.30), and we detect a ~0.03 dex depletion in refractory elements in HD 133131A versus B (with standard errors ~0.017). This detection and analysis adds to a small but growing sample of binary “twin” exoplanet host stars with precise abundances measured, and represents the most metal-poor and likely oldest in that sample. Overall, the planets around HD 133131A and B fall in an unexpected regime in planet mass–host star metallicity space and will serve as an important benchmark for the study of long-period giant planets.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

A COMPREHENSIVE DUST MODEL APPLIED TO THE RESOLVED BETA PICTORIS DEBRIS DISK FROM OPTICAL TO RADIO WAVELENGTHS

We investigate whether varying the dust composition (described by the optical constants) can solve a persistent problem in debris disk modeling—the inability to fit the thermal emission without overpredicting the scattered light. We model five images of the β Pictoris disk: two in scattered light from the Hubble Space Telescope ( HST )/Space Telescope Imaging Spectrograph at 0.58 μ m and HST /Wide Field Camera 3 (WFC 3) at 1.16 μ m, and three in thermal emission from Spitzer /Multiband Imaging Photometer for Spitzer (MIPS) at 24 μ m, Herschel /PACS at 70 μ m, and Atacama Large Millimeter/submillimeter Array at 870 μ m. The WFC3 and MIPS data are published here for the first time. We focus our modeling on the outer part of this disk, consisting of a parent body ring and a halo of small grains. First, we confirm that a model using astronomical silicates cannot simultaneously fit the thermal and scattered light data. Next, we use a simple generic function for the optical constants to show that varying the dust composition can improve the fit substantially. Finally, we model the dust as a mixture of the most plausible debris constituents: astronomical silicates, water ice, organic refractory material, and vacuum. We achieve a good fit to all data sets with grains composed predominantly of silicates and organics, while ice and vacuum are, at most, present in small amounts. This composition is similar to one derived from previous work on the HR 4796A disk. Our model also fits the thermal spectral energy distribution, scattered light colors, and high-resolution mid-IR data from T-ReCS for this disk. Additionally, we show that sub-blowout grains are a necessary component of the halo.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

IRON: A KEY ELEMENT FOR UNDERSTANDING THE ORIGIN AND EVOLUTION OF INTERSTELLAR DUST

The origin and depletion of iron differ from all other abundant refractory elements that make up the composition of interstellar dust. Iron is primarily synthesized in Type Ia supernovae (SNe Ia) and in core collapse supernovae (CCSN), and is present in the outflows from AGB stars. Only the latter two are observed to be sources of interstellar dust since searches for dust in SN Ia have provided strong evidence for the absence of any significant mass of dust in their ejecta. Consequently, more than 65% of the iron is injected into the ISM in gaseous form. Yet ultraviolet and X-ray observations along many lines of sight in the ISM show that iron is severely depleted in the gas phase as compared to expected solar abundances. The missing iron, comprising about 90% of the total, is believed to be locked up in interstellar dust. This suggests that most of the missing iron must have precipitated from the ISM gas by a cold accretion onto preexisting silicate, carbon, or composite grains. Iron is thus the only element that requires most of its growth to occur outside the traditional stellar condensation sources. This is a robust statement that does not depend on our evolving understanding of the dust destruction efficiency in the ISM. Reconciling the physical, optical, and chemical properties of such composite grains with their many observational manifestations is a major challenge for understanding the nature and origin of interstellar dust.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Tracking the distribution of {sup 26}Al and {sup 60}Fe during the early phases of star and disk evolution

The short-lived {sup 26}Al and {sup 60}Fe radionuclides are synthesized and expelled into the interstellar medium by core-collapse supernova events. The solar system’s first solids, calcium–aluminum refractory inclusions (CAIs), contain evidence for the former presence of the {sup 26} Al nuclide defining the canonical {sup 26}Al/{sup 27} Al ratio of ∼5×10{sup −5}. A different class of objects temporally related to canonical CAIs are CAIs with fractionation and unidentified nuclear effects (FUN CAIs), which record a low initial {sup 26}Al/{sup 27}Al of 10{sup −6}. The contrasting level of {sup 26}Al between these objects is often interpreted as reflecting the admixing of the {sup 26}Al nuclides during the early formative phase of the Sun. We use giant molecular cloud scale adaptive mesh-refinement numerical simulations to trace the abundance of {sup 26}Al and {sup 60}Fe in star-forming gas during the early stages of accretion of individual low-mass protostars. We find that the {sup 26}Al/{sup 27}Al and {sup 60}Fe/{sup 56}Fe ratios of accreting gas within a vicinity of 1000 au of the stars follow the predicted decay curves of the initial abundances at the time of star formation without evidence of spatial or temporal heterogeneities for the first 100 kyr of star formation. Therefore, the observed differences in {sup 26}Al/{sup 27}Al ratios between FUN and canonical CAIs are likely not caused by admixing of supernova material during the early evolution of the proto-Sun. Selective thermal processing of dust grains is a more viable scenario to account for the heterogeneity in {sup 26}Al/{sup 27}Al ratios at the time of solar system formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

PARTITIONING TUNGSTEN BETWEEN MATRIX PRECURSORS AND CHONDRULE PRECURSORS THROUGH RELATIVE SETTLING

Recent studies of chondrites have found a tungsten isotopic anomaly between chondrules and matrix. Given the refractory nature of tungsten, this implies that W was carried into the solar nebula by at least two distinct families of pre-solar grains. The observed chondrule/matrix split requires that the distinct families were kept separate during the dust coagulation process, and that the two families of grain interacted with the chondrule formation mechanism differently. We take the co-existence of different families of solids in the same general orbital region at the chondrule-precursor size as given, and explore the requirements for them to have interacted with the chondrule formation process at significantly different rates. We show that this sorting of families of solids into chondrule- and matrix-destined dust had to have been at least as powerful a sorting mechanism as the relative settling of aerodynamically distinct grains at least two scale heights above the midplane. The requirement that the chondrule formation mechanism was correlated in some fashion with a dust-grain sorting mechanism argues strongly for spatially localized chondrule formation mechanisms such as turbulent dissipation in non-thermally ionized disk surface layers, and argues against volume-filling mechanisms such as planetesimal bow shocks.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

In situ and ex situ formation models of Kepler 11 planets

We present formation simulations of the six Kepler 11 planets. Models assume either in situ or ex situ assembly, the latter with migration, and are evolved to the estimated age of the system, ≈8 Gyr. Models combine detailed calculations of both the gaseous envelope and the condensed core structures, including accretion of gas and solids, of the disk’s viscous and thermal evolution, including photo-evaporation and disk-planet interactions, and of the planet’s evaporative mass loss after disk dispersal. Planet–planet interactions are neglected. Both sets of simulations successfully reproduce measured radii, masses, and orbital distances of the planets, except for the radius of Kepler 11b, which loses its entire gaseous envelope shortly after formation. Gaseous (H+He) envelopes account for ≲18% of the planet masses, and between ≈35 and ≈60% of the planet radii. In situ models predict a very massive inner disk, whose solid surface density (σ{sub Z}) varies from over 10{sup 4} to ≈10{sup 3} g cm{sup −2} at stellocentric distances 0.1≲r≲0.5 au. Initial gas densities would be in excess of 10{sup 5} g cm{sup −2} if solids formed locally. Given the high disk temperatures (≳1000 K), planetary interiors can only be composed of metals and highly refractory materials. Sequestration of hydrogen by the core and subsequent outgassing is required to account for the observed radius of Kepler 11b. Ex situ models predict a relatively low-mass disk, whose initial σ{sub Z} varies from ≈10 to ≈5 g cm{sup −2} at 0.5≲r≲7 au and whose initial gas density ranges from ≈10{sup 3} to ≈100 g cm{sup −2}. All planetary interiors are expected to be rich in H{sub 2}O, as core assembly mostly occurs exterior to the ice condensation front. Kepler 11b is expected to have a steam atmosphere, and H{sub 2}O is likely mixed with H+He in the envelopes of the other planets. Results indicate that Kepler 11g may not be more massive than Kepler 11e.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

THE IMPRINT OF EXOPLANET FORMATION HISTORY ON OBSERVABLE PRESENT-DAY SPECTRA OF HOT JUPITERS

The composition of a planet’s atmosphere is determined by its formation, evolution, and present-day insolation. A planet’s spectrum therefore may hold clues on its origins. We present a “chain” of models, linking the formation of a planet to its observable present-day spectrum. The chain links include (1) the planet’s formation and migration, (2) its long-term thermodynamic evolution, (3) a variety of disk chemistry models, (4) a non-gray atmospheric model, and (5) a radiometric model to obtain simulated spectroscopic observations with James Webb Space Telescope and ARIEL. In our standard chemistry model the inner disk is depleted in refractory carbon as in the Solar System and in white dwarfs polluted by extrasolar planetesimals. Our main findings are: (1) envelope enrichment by planetesimal impacts during formation dominates the final planetary atmospheric composition of hot Jupiters. We investigate two, under this finding, prototypical formation pathways: a formation inside or outside the water iceline, called “dry” and “wet” planets, respectively. (2) Both the “dry” and “wet” planets are oxygen-rich (C/O < 1) due to the oxygen-rich nature of the solid building blocks. The “dry” planet’s C/O ratio is <0.2 for standard carbon depletion, while the “wet” planet has typical C/O values between 0.1 and 0.5 depending mainly on the clathrate formation efficiency. Only non-standard disk chemistries without carbon depletion lead to carbon-rich C/O ratios >1 for the “dry” planet. (3) While we consistently find C/O ratios <1, they still vary significantly. To link a formation history to a specific C/O, a better understanding of the disk chemistry is thus needed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

The Discovery of λ Bootis Stars: The Southern Survey I

The λ Boo stars are a class of chemically peculiar Population I A-type stars characterized by under-abundances of the refractory elements, but near-solar abundances of carbon, nitrogen, oxygen, and sulfur. There is some evidence that λ Boo stars have higher frequencies of “bright” debris disks than normal A-type stars. The discovery of four exoplanets orbiting HR 8799, a λ Boo star with a resolved debris disk, suggests that the λ Boo phenomenon may be related to the presence of a dynamic debris disk, perhaps perturbed by migrating planets. However, only 64 λ Boo stars are known, and those stars were discovered with different techniques, making it problematic to use that sample for statistical purposes, including determining the frequency of debris disks. The purpose of this paper is to derive a new sample of λ Boo stars using a technique that does not lead to biases with respect to the presence of infrared excesses. Through spectroscopic observations in the southern hemisphere, we have discovered 33 λ Boo stars and have confirmed 12 others. As a step toward determining the proportion of λ Boo stars with infrared excesses, we have used WISE data to examine the infrared properties of this sample out to 22 μ m. On this basis, we cannot conclude that λ Boo stars have a greater tendency than normal A-type stars to show infrared excesses. However, observing this sample at longer wavelengths may change that conclusion, as many λ Boo debris disks are cool and do not radiate strongly at 22 μ m.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

A Massive Shell of Supernova-formed Dust in SNR G54.1+0.3

While theoretical models of dust condensation predict that most refractory elements produced in core-collapse supernovae (SNe) efficiently condense into dust, a large quantity of dust has so far only been observed in SN 1987A. We present an analysis of observations from the Spitzer Space Telescope , Herschel Space Observatory , Stratospheric Observatory for Infrared Astronomy, and AKARI of the infrared shell surrounding the pulsar wind nebula in the supernova remnant G54.1+0.3. We attribute a distinctive spectral feature at 21 μ m to a magnesium silicate grain species that has been invoked in modeling the ejecta-condensed dust in Cas A, which exhibits the same spectral signature. If this species is responsible for producing the observed spectral feature and accounts for a significant fraction of the observed infrared continuum, we find that it would be the dominant constituent of the dust in G54.1+0.3, with possible secondary contributions from other compositions, such as carbon, silicate, or alumina grains. The total mass of SN-formed dust required by this model is at least 0.3 M {sub ⊙}. We discuss how these results may be affected by varying dust grain properties and self-consistent grain heating models. The spatial distribution of the dust mass and temperature in G54.1+0.3 confirms the scenario in which the SN-formed dust has not yet been processed by the SN reverse shock and is being heated by stars belonging to a cluster in which the SN progenitor exploded. The dust mass and composition suggest a progenitor mass of 16–27 M {sub ⊙} and imply a high dust condensation efficiency, similar to that found for Cas A and SN 1987A. The study provides another example of significant dust formation in a Type IIP SN explosion and sheds light on the properties of pristine SN-condensed dust.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Novel Experimental Simulations of the Atmospheric Injection of Meteoric Metals

A newly developed laboratory, Meteoric Ablation Simulator (MASI), is used to test model predictions of the atmospheric ablation of interplanetary dust particles (IDPs) with experimental Na, Fe, and Ca vaporization profiles. MASI is the first laboratory setup capable of performing time-resolved atmospheric ablation simulations, by means of precision resistive heating and atomic laser-induced fluorescence detection. Experiments using meteoritic IDP analogues show that at least three mineral phases (Na-rich plagioclase, metal sulfide, and Mg-rich silicate) are required to explain the observed appearance temperatures of the vaporized elements. Low melting temperatures of Na-rich plagioclase and metal sulfide, compared to silicate grains, preclude equilibration of all the elemental constituents in a single melt. The phase-change process of distinct mineral components determines the way in which Na and Fe evaporate. Ca evaporation is dependent on particle size and on the initial composition of the molten silicate. Measured vaporized fractions of Na, Fe, and Ca as a function of particle size and speed confirm differential ablation (i.e., the most volatile elements such as Na ablate first, followed by the main constituents Fe, Mg, and Si, and finally the most refractory elements such as Ca). The Chemical Ablation Model (CABMOD) provides a reasonable approximation to this effect based on chemical fractionation of a molten silicate in thermodynamic equilibrium, even though the compositional and geometric description of IDPs is simplistic. Improvements in the model are required in order to better reproduce the specific shape of the elemental ablation profiles.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Radial Transport and Meridional Circulation in Accretion Disks

Radial transport of particles, elements and fluid driven by internal stresses in three-dimensional (3D) astrophysical accretion disks is an important phenomenon, potentially relevant for the outward dust transport in protoplanetary disks, origin of the refractory particles in comets, isotopic equilibration in the Earth–Moon system, etc. To gain better insight into these processes, we explore the dependence of meridional circulation in 3D disks with shear viscosity on their thermal stratification, and demonstrate a strong effect of the latter on the radial flow. Previous locally isothermal studies have normally found a pattern of the radial outflow near the midplane, switching to inflow higher up. Here we show, both analytically and numerically, that a flow that is inward at all altitudes is possible in disks with entropy and temperature steeply increasing with height. Such thermodynamic conditions may be typical in the optically thin, viscously heated accretion disks. Disks in which these conditions do not hold should feature radial outflow near the midplane, as long as their internal stress is provided by the shear viscosity. Our results can also be used for designing hydrodynamical disk simulations with a prescribed pattern of the meridional circulation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Effects of Preionization in Radiative Shocks. II. Application to the Herbig–Haro Objects

In an earlier paper we treated the preionization problem in shocks over the velocity range 20 km s{sup −1 }< v{sub s}<1000 km s{sup −1 }in a fully self-consistent manner. Here we investigate in detail the effect of the upstream UV photon field generated in the radiative zone of shocks in the range in which hydrogen is only partly ionized 20 km s{sup −1 }(< v{sub s}<150 km s{sup −1}). We show that, as a result of superheating in the nonequilibrium preshock plasma, both the magnetic parameter and the Mach number of the shock are strongly affected by the preionization state of the gas, which controls to a large extent the radiative spectrum of the shock. We use these models to provide specific line diagnostics for Herbig–Haro objects, which allow us to solve for both the preshock density and shock velocity, and we present detailed models of the HH 34 jet, which allows us to derive the shock conditions, mass-loss rate, momentum flux, and chemical abundances in the jet. We show that the refractory elements Mg, Ca, Fe, and Ni are enhanced by 0.22 dex over the solar values, which provides interesting clues about the jet-launching mechanism in pre-main-sequence evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

DETECTION OF PHOSPHORUS, SULPHUR, AND ZINC IN THE CARBON-ENHANCED METAL-POOR STAR BD+44 493

The carbon-enhanced metal-poor star BD+44°493 ([Fe/H] = −3.9) has been proposed as a candidate second-generation star enriched by metals from a single Pop III star. We report the first detections of P and S and the second detection of Zn in any extremely metal-poor carbon-enhanced star, using new spectra of BD+44°493 collected by the Cosmic Origins Spectrograph on the Hubble Space Telescope . We derive [P/Fe] = −0.34 ± 0.21, [S/Fe] = +0.07 ± 0.41, and [Zn/Fe] = −0.10 ± 0.24. We increase by 10-fold the number of Si i lines detected in BD+44°493, yielding [Si/Fe] = +0.15 ± 0.22. The [S/Fe] and [Zn/Fe] ratios exclude the hypothesis that the abundance pattern in BD+44°493 results from depletion of refractory elements onto dust grains. Comparison with zero-metallicity supernova (SN) models suggests that the stellar progenitor that enriched BD+44°493 was massive and ejected much less than 0.07 M {sub ⊙} of {sup 56}Ni, characteristic of a faint SN.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

aosacsm.b1

ACSM instrument measure mass loading (ug/m3) of non-refractory aerosol particles particularly organics, sulfate, chlorides, ammonium, and nitrates in real-time. The instrument is run autonomously at various ARM sites at time resolution equal to 30 minutes. Different data products are developed. The raw data (.itx and .asc) files are ingested to produce the.a0 product - the first netCDF file. These raw files are used by the mentor to calculate the mentor processed mass loadings. The .a0 files are used to develop the .b1 level product. The .b1 level data is further integrated with mentor processed data to produce .c0 level data product.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

aosacsm.a0

54 ENVIRONMENTAL SCIENCES↗