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NASA NTRSDate not supplied

Updates in Developing a Prototype Science Pipeline and Full-Volume, Global Hyperspectral Synthetic Data Sets for NASA’s Earth System Observatory’s Upcoming Surface, Biology and Geology Mission

The Surface Biology and Geology (SBG) mission recently passed mission confirmation review and has entered phase A – design and development. SBG will acquire high resolution solar-reflected spectroscopy and thermal infrared observations at a data rate of ~2.5 TB/day and generate products at ~40 TB/day. Given that the per-day volume is greater than NASA’s total extant airborne hyperspectral data collection, collecting, processing, disseminating, and exploiting the SBG data present new challenges. To meet these challenges, we have developed a prototype science pipeline and a full-volume global hyperspectral synthetic data set to help prepare for SBG’s flight (see poster GC42D-0730). Our science pipeline is based on the science processing technology developed for NASA’s Kepler and TESS planet-hunting missions. The pipeline infrastructure, Ziggy, provides a scalable architecture for robust, repeatable, and replicable science and application products that can be run on a range of systems from a laptop to the cloud or a supercomputer. Ziggy is compliant with NASA Procedural Requirement (NPR) 7150.2C, is at a technical readiness level (TRL) of 7 and has been released to github.com/nasa/ziggy. We integrated Ziggy with EO-1/Hyperion workflows to build a prototype pipeline and ingested the 17-year mission archive that provides globally sampled visible through shortwave infrared spectra that are representative of SBG data types and volumes. We fully implemented the first stage and processed the entire 55 TB Hyperion data set from the raw data (Level 0) to top-of-the-atmosphere radiance (Level 1R). We are currently evaluating the ISOFIT atmospheric correction module to convert the L1R data to surface reflectance (Level 2) before reprocessing the full data set to L2. Crosschecks are being performed with RadCalNet as well as with coincident observations by AVIRIS. We are also investigating modern methods for georectifying the Hyperion scenes. Finally, we describe an analysis of the cost to conduct forward processing and reprocessing campaigns for SBG on HECC with dedicated compute and storage resources using the resurrected Hyperion pipeline as a proxy for full-volume SBG data. The analysis demonstrates that SBG L0 data can be processed to L2 on HECC with full reprocessing campaigns every two years for ~$2.6M over a 7-year lifespan. Moreover, 69% of the system capacity would be available for other activities, possibly enabling future open-source science activities, including algorithm development, L3+ processing, .etc.

ESD↗
NASA NTRS2016

EVEREST: Pixel Level Decorrelation of K2 Light Curves

We present EPIC Variability Extraction and Removal for Exoplanet Science Targets (EVEREST), an open-source pipeline for removing instrumental noise from K2 light curves. EVEREST employs a variant of pixel level decorrelation to remove systematics introduced by the spacecraft’s pointing error and a Gaussian process to capture astrophysical variability. We apply EVEREST to all K2 targets in campaigns 0–7, yielding light curves with precision comparable to that of the original Kepler mission for stars brighter than K(sub p) ≈ 13, and within a factor of two of the Kepler precision for fainter targets. We perform cross-validation and transit injection and recovery tests to validate the pipeline and compare our light curves to the other de-trended light curves available for download at the MAST High Level Science Products archive. We find that EVEREST achieves the highest average precision of any of these pipelines for unsaturated K2 stars. The improved precision of these light curves will aid in exoplanet detection and characterization, investigations of stellar variability, asteroseismology, and other photometric studies. The EVEREST pipeline can also easily be applied to future surveys, such as the TESS mission, to correct for instrumental systematics and enable the detection of low signal-to-noise transiting exoplanets. The EVEREST light curves and the source code used to generate them are freely available online.

Catalogs↗
NASA NTRS2022

Alma Images the Eccentric HD 53143 Debris Disk

We present ALMA 1.3 mm observations of the HD 53143 debris disk—the first infrared or millimeter image produced of this ∼1 Gyr old solar analog. Previous HST STIS coronagraphic imaging did not detect flux along the minor axis of the disk, which could suggest a face-on geometry with two clumps of dust. These ALMA observations reveal a disk with a strikingly different structure. In order to fit models to the millimeter visibilities and constrain the uncertainties on the disk parameters, we adopt a Markov Chain Monte Carlo approach. This is the most eccentric debris disk observed to date with a forced eccentricity of 0.21 ± 0.02, nearly twice that of the Fomalhaut debris disk, and also displays an apocenter glow. Although this eccentric model fits the outer debris disk well, significant interior residuals remain, which may suggest a possible edge-on inner disk, which remains unresolved in these observations. Combined with the observed structure difference between HST and ALMA, these results suggest a potential previous scattering event or dynamical instability in this system. We also note that the stellar flux changes considerably over the course of our observations, suggesting flaring at millimeter wavelengths. Using simultaneous TESS observations, we determine the stellar rotation period to be 9.6 ± 0.1 days.

Radio astronomy↗
NASA NTRS2022

A Detailed Analysis of the Gl 486 Planetary System

Context . The Gl 486 system consists of a very nearby, relatively bright, weakly active M3.5V star at just 8 pc with a warm transiting rocky planet of about 1.3 R ⨁ and 3.0 M ⨁ . It is ideal for both transmission and emission spectroscopy and for testing interior models of telluric planets. Aims . To prepare for future studies, we aim to thoroughly characterise the planetary system with new accurate and precise data collected with state-of-the-art photometers from space and spectrometers and interferometers from the ground. Methods . We collected light curves of seven new transits observed with the CHEOPS space mission and new radial velocities obtained with MAROON-X at the 8.1m Gemini North telescope and CARMENES at the 3.5m Calar Alto telescope, together with previously published spectroscopic and photometric data from the two spectrographs and TESS. We also performed near-infrared interferometric observations with the CHARA Array and new photometric monitoring with a suite of smaller telescopes (AstroLAB, LCOGT, OSN, TJO). This extraordinary and rich data set was the input for our comprehensive analysis. Results . From interferometry, we measure a limb-darkened disc angular size of the star Gl 486 at θ LDD = 0.390 ± 0.018 mas. Together with a corrected Gaia EDR3 parallax, we obtain a stellar radius R * = 0.339 ± 0.015 R ⨀ . We also measure a stellar rotation period at P rot = 49.9 ± 5.5 days, an upper limit to its XUV (5–920 Å) flux informed by new Hubble/STIS data, and, for the first time, a variety of element abundances (Fe, Mg, Si, V, Sr, Zr, Rb) and C/O ratio. Moreover, we imposed restrictive constraints on the presence of additional components, either stellar or sub-stellar, in the system. With the input stellar parameters and the radial-velocity and transit data, we determine the radius and mass of the planet Gl 486 b at R p = 1.343 +0.063 -0.062 R ⨀ and M p = 3.00 +0.13 -0.13 M ⨁ , with relative uncertainties of the planet radius and mass of 4.7% and 4.2%, respectively. From the planet parameters and the stellar element abundances, we infer the most probable models of planet internal structure and composition, which are consistent with a relatively small metallic core with respect to the Earth, a deep silicate mantle, and a thin volatile upper layer. With all these ingredients, we outline prospects for Gl 486 b atmospheric studies, especially with forthcoming James Webb Space Telescope (Webb) observations.

Planetary systems↗
NASA NTRSDate not supplied

On-chip Broadband Load Calibrators for Characterizing Transition-Edge Sensor Bolometers

We describe the design and fabrication of on-chip broadband load calibrators for element-by- element and full circuit characterization of transition-edge sensor (TES) bolometers for cosmic microwave background (CMB) polarimetry. Fabricated in a 4 X 4 grid on a 100 mm silicon wafer, the chips allow systematic testing of individual detector circuit elements without the need for an external blackbody source. This in-situ testing approach provides rapid and efficient characterization of various pixel designs in order to optimize the optical efficiency and control of systematic effects of the detectors. In this work, we demonstrate the on-chip calibrators on the Cosmology Large Angular Scale Surveyor (CLASS) W-band pixels. In particular, we investigate the loss on microstrip transmission lines and measure the performance of various designs of TESs, magic-tees, via-less crossovers, and signal terminations. We also test a filter-bank spectrometer with eight resonators spanning 80 – 105 GHz to characterize the spectral response of circuit elements across the detector bandwidth.

Sumit Dahal↗
NASA NTRS2023

Star-Exoplanet Interactions: A Growing Interdisciplinary Field in Heliophysics

Traditionally, heliophysics is characterized as the study of the near-Earth space environment, where plasmas and neutral gases originating from the Earth, the Sun, and other solar system bodies interact in ways that are detectable only through in-situ or close-range (usually within ∼10 AU) remote sensing. As a result, heliophysics has data from the space environment around a handful of solar system objects, in particular the Sun and Earth. Comparatively, astrophysics has data from an extensive array of objects, but is more limited in temporal, spatial, and wavelength information from any individual object. Thus, our understanding of planetary space environments as a complex, multi-dimensional network of specific interacting systems may in the past have seemed to have little to do with the highly diverse space environments detected through astrophysical methods. Recent technological advances have begun to bridge this divide. Exoplanetary studies are opening up avenues to study planetary environments beyond our solar system, with missions like Kepler, TESS, and JWST, along with increasing capabilities of ground-based observations. At the same time, heliophysics studies are pushing beyond the boundaries of our heliosphere with Voyager, IBEX, and the future IMAP mission. The interdisciplinary field of star-exoplanet interactions is a critical, growing area of study that enriches heliophysics. A multidisciplinary approach to heliophysics enables us to better understand universal processes that operate in diverse environments, as well as the evolution of our solar system and extreme space weather. The expertise, data, theory, and modeling tools developed by heliophysicists are crucial in understanding the space environments of exoplanets, their host stars, and their potential habitability. The mutual benefit that heliophysics and exoplanetary studies offer each other depends on strong, continuing solar system-focused and Earth-focused heliophysics studies. The heliophysics discipline requires new targeted funding to support inter-divisional opportunities, including small multi-disciplinary research projects, large collaborative research teams, and observations targeting the heliophysics of planetary and exoplanet systems. Here we discuss areas of heliophysics-relevant exoplanetary research, observational opportunities and challenges, and ways to promote the inclusion of heliophysics within the wider exoplanetary community.

heliophysics↗
NASA NTRS2024

HPIC: The Habitable Worlds Observatory Preliminary Input Catalog

The Habitable Worlds Observatory Preliminary Input Catalog (HPIC) is a list of ∼13,000 nearby bright stars that will be potential targets for the Habitable Worlds Observatory (HWO) in its search for Earth-sized planets around Sun-like stars. We construct this target list using the TESS and Gaia DR3 catalogs and develop an automated pipeline to compile stellar measurements and derived astrophysical properties for all stars. We benchmark the stellar properties in the HPIC relative to those of the manually curated ExEP HWO Precursor Science Stars list and find that, for the 164 best targets for exo-Earth direct imaging, our stellar properties are consistent. We demonstrate the utility of the HPIC by using it as an input for yield calculations to predict the science output of various mission designs, including those with larger telescope diameters and those focused on other planet types besides Earth analogs, such as Jupiter-mass planets. The breadth and completeness of the HPIC is essential for accurate HWO mission trade studies, and it will be useful for other exoplanet studies and general astrophysics studying the population of bright nearby stars.

Noah W. Tuchow↗
NASA NTRS2024

TIC 290061484: A Triply Eclipsing Triple System With the Shortest Known Outer Period of 24.5 Days

We have discovered a triply eclipsing triple star system, TIC 290061484, with the shortest known outer period, $P_{\rm out}$, of only 24.5 days. This `eclipses' the previous record set by $\lambda$ Tauri at 33.02 days which held for 68 years \citep{1956ApJ...124..507E}. The inner binary, with an orbital period of $P_{\rm in}=1.8$ days, produces primary and secondary eclipses, and exhibits prominent eclipse timing variations with the same periodicity as the outer orbit. The tertiary star eclipses, and is eclipsed by, the inner binary with pronounced asymmetric profiles. The inclinations of both orbits evolve on observable timescales such that the third-body eclipses exhibit dramatic depth variations in TESS data. A photodynamical model provides a complete solution for all orbital and physical parameters of the triple system, showing that the three stars have masses of \MAa M$_\odot$, \MAb M$_\odot$, and \MB M$_\odot$, radii near those corresponding to the main sequence, and $T_{\rm eff}$ in the range of 21,000 K - 23,700 K. Remarkably, the model shows that the triple is in fact a subsystem of a hierarchical 2+1+1 quadruple with a distant fourth star. The outermost star has a period of $\sim3,200$ days and a mass comparable to the stars in the inner triple. In $\sim20$ Myr, all three components of the triple subsystem will merge, undergo a type II supernova explosion, and leave a single remnant neutron star. At the time of writing, TIC 290061484 is the most compact triple system, and one of the tighter known compact triples (i.e., $P_{\rm out}/P_{\rm in} = 13.7$).

V B Kostov↗
NASA NTRS2024

TOI-3568 b: A Super-Neptune in the Sub-Jovian Desert

The sub-Jovian desert is a region in the mass–period and radius–period parameter space that typically encompasses short-period ranges between super-Earths and hot Jupiters, and exhibits an intrinsic dearth of planets. This scarcity is likely shaped by photo evaporation caused by the stellar irradiation received by giant planets that have migrated inward. We report the detection and characterization ofTOI-3568 b, a transiting super-Neptune with a mass of26.4±1.0M⊕, a radius of5.30±0.27R⊕, a bulk density of0.98±0.15g cm−3, and an orbital period of 4.417965 (5) d situated in the vicinity of the sub-Jovian desert. This planet orbiting a K dwarf star with solar metallicity was identified photometrically by the Transiting Exoplanet Survey Satellite (TESS). It was characterized as a planet by our high-precision radial-velocity (RV) monitoring program using MAROON-X at Gemini North, supplemented with additional observations from the SPICE large program with SPIRou at CFHT. We performed a Bayesian MCMC joint analysis of the TESSand ground-based photometry, and MAROON-X and SPIRou RVs, to measure the orbit, radius, and mass of the planet, as well as a detailed analysis of the high-resolution flux and polarimetric spectra to determine the physical parameters and elemental abundances of the host star. Our results reveal TOI-3568 b to be a hot super-Neptune rich in hydrogen and helium, with a core of heavier elements of between 10 and 25 M⊕in mass. We analyzed the photo evaporation status of TOI-3568 b and find that it experiences one of the highest extreme-ultraviolet (EUV) luminosities among planets with a mass of Mp<2MNep, yet it has an evaporation lifetime exceeding 5 Gyr. Positioned in the transition between two significant populations of exoplanets on the mass–period and energy diagrams, this planet presents an opportunity to test theories concerning the origin of the sub-Jovian desert.

stars: individual: TOI-3568↗
NASA NTRS2024

TOI 762Ab and TIC 46432937b: Two Giant Planets Transiting M-dwarf Stars

We present the discovery of TOI 762 A b and TIC 46432937 b, two giant planets transiting M-dwarf stars. Transits of both systems were first detected from observations by the NASA TESS mission, and the transiting objects are confirmed as planets through high-precision radial velocity observations carried out with Very Large Telescope/ESPRESSO. TOI 762 A b is a warm sub-Saturn with a mass of 0.251±0.042MJ, a radius of 0.744±0.017RJ, and an orbital period of 3.4717 days. It transits a mid-M-dwarf star with a mass of 0.442±0.025M☉and a radius of0.4250±0.0091R☉. The star TOI 762 A has a resolved binary star companion, TOI 762 B, that is separated fromTOI 762 A by 32(∼319 au)and has an estimated mass of 0.227±0.010M☉. The planet TIC 46432937 b is a warm super-Jupiter with a mass of 3.20±0.11MJ and radius of 1.188±0.030RJ. The planet’s orbital period isP=1.4404 days, and it undergoes grazing transits of its early M-dwarf host star, which has a mass of0.563±0.029M☉and a radius of 0.5299±0.0091R☉. TIC 46432937 b is one of the highest-mass planets found to date transiting an M-dwarf star. TIC 46432937 b is also a promising target for atmospheric observations, having the highest transmission spectroscopy metric or emission spectroscopy metric value of any known warm super-Jupiter(mass greater than 3.0MJ, equilibrium temperature below 1000 K).

Exoplanet systems↗
DOE OSTI2024

Ligand‐Mediated Quantum Yield Enhancement in 1‐D Silver Organothiolate Metal–Organic Chalcogenolates

X-ray free electron laser (XFEL) microcrystallography and synchrotron single-crystal crystallography are used to evaluate the role of organic substituent position on the optoelectronic properties of metal–organic chalcogenolates (MOChas). MOChas are crystalline 1D and 2D semiconducting hybrid materials that have varying optoelectronic properties depending on composition, topology, and structure. While MOChas have attracted much interest, small crystal sizes impede routine crystal structure determination. A series of constitutional isomers where the aryl thiol is functionalized by either methoxy or methyl ester are solved by small molecule serial femtosecond X-ray crystallography (smSFX) and single crystal rotational crystallography. While all the methoxy examples have a low quantum yield (0-1%), the methyl ester in the ortho position yields a high quantum yield of 22%. Here, the proximity of the oxygen atoms to the silver inorganic core correlates to a considerable enhancement of quantum yield. Four crystal structures are solved at a resolution range of 0.8–1.0 Å revealing a collapse of the 2D topology for functional groups in the 2- and 3- positions, resulting in needle-like crystals. Further analysis using density functional theory (DFT) and many-body perturbation theory (MBPT) enables the exploration of complex excitonic phenomena within easily prepared material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Direct Prediction of Phonon Density of States With Euclidean Neural Networks

Abstract Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction. The challenge is aggravated in crystalline solids due to crystallographic symmetry considerations and data scarcity. Here, the direct prediction of phonon density‐of‐states (DOS) is demonstrated using only atomic species and positions as input. Euclidean neural networks are applied, which by construction are equivariant to 3D rotations, translations, and inversion and thereby capture full crystal symmetry, and achieve high‐quality prediction using a small training set of examples with over 64 atom types. The predictive model reproduces key features of experimental data and even generalizes to materials with unseen elements, and is naturally suited to efficiently predict alloy systems without additional computational cost. The potential of the network is demonstrated by predicting a broad number of high phononic specific heat capacity materials. The work indicates an efficient approach to explore materials' phonon structure, and can further enable rapid screening for high‐performance thermal storage materials and phonon‐mediated superconductors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Hybrid Ionomer-Free Porous Transport Electrodes With Catalyst Coated Membranes for Enhanced Water Electrolysis

To promote industrial uptake of clean hydrogen production technologies such as polymer electrolyte membrane (PEM) water electrolyzers, advancements in catalyst layer (CL) morphology are required. We demonstrate how improved electrochemical performance can be achieved when using an ionomer free porous transport electrode (PTE) coupled with a traditional catalyst coated membrane (CCM) assembly in PEM water electrolyzers. Notably, we reveal that the superior performance achieved when utilizing a hybrid PTE and CCM assembly is due to enhanced ohmic performance caused by optimal contact with both the porous transport layer (PTL) and PEM interfaces. Using operando neutron radiography, we demonstrate that configurations utilizing a CCM resulted in more rapid water replenishment to reaction sites, indicating enhanced membrane hydration beneficial for performance. This enhanced membrane hydration coupled with improved contact area at the PEM-catalyst layer (CL) and PTL-CL interfaces was revealed through the reduced ohmic overpotentials of the hybrid PTE-CCM design, which achieved the lowest ohmic overpotential of 431 mV at 2000 mA cm−2. While the average in-plane water distributions are generally similar between cell configurations, we reveal that utilizing a PTE configuration promotes a more homogenous water distribution near the CL-membrane interface due to enhanced catalyst utilization.

Seip, Tess [ORNL] (ORCID:0000000232740594)↗
DOE OSTI2026

PlantCV v4: Image analysis software for high‐throughput plant phenotyping

PlantCV is an open-source Python project aimed at developing tools to address a range of image-based, plant phenotyping questions. PlantCV has been used for more than 10 years to automate trait collection from image data, and the newest release, PlantCV version 4, continues to lower the barrier to entry for users without substantial coding experience through extensive example use-case tutorials and simplified installation. In addition to usability, we document added functionality since the release of PlantCV v2, including support for more image types such as fluorescence, thermal, and hyperspectral data. Finally, we describe the development of a new subpackage focused on morphological trait measurements like leaf angle, and demonstrate its utility as compared to more manual methods of data collection.

Schuhl, Haley [Donald Danforth Plant Science Cente↗
DOE OSTI2023

Stochastic generation of electrolyzer anode catalyst layers

Here, we introduce a stochastic methodology to reproduce the complex pore structure observed in commercial iridium catalyst layers. This method preserves the α pore (pores smaller than 250 nm) and β pore (pores greater than or equal to 250 nm) regions of the catalyst layer. The morphology of the generated materials was validated by comparing the pore size distributions of generated materials against those obtained from commercial materials imaged using x-ray nano computed tomography. We further demonstrate that the pore size distributions of the generated materials are statistically indistinguishable from the imaged catalyst layers, indicating that the stochastic methodology is capable of accurately reproducing catalyst layer morphology. Pore network modelling was conducted on the generated catalyst materials to simulate single-phase permeability, electrical conductivity, and ionic conductivity, and these properties were found to be within experimentally measured ranges for electrolyzer catalyst layers. Additionally, simulations were performed on the generated materials with varying ionomer and iridium catalyst loadings. As the ionomer loading is added, proton conductivity increases exponentially, which demonstrates the importance of optimizing ionomer loading, considering that these effects will be exacerbated in the hydration and temperature conditions of operating electrolyzers. The stochastic material generation method presented in this work is a powerful tool for the development of novel low loading catalyst layers, where the effect of various structural parameters on electrolyzer performance characteristics can be explored.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Machine learning magnetism classifiers from atomic coordinates

The determination of magnetic structure poses a long-standing challenge in condensed matter physics and materials science. Experimental techniques such as neutron diffraction are resource-limited and require complex structure refinement protocols, while computational approaches such as first-principles density functional theory (DFT) need additional semi-empirical correction, and reliable prediction is still largely limited to collinear magnetism. Here, we present a machine learning model that aims to classify the magnetic structure by inputting atomic coordinates containing transition metal and rare earth elements. By building a Euclidean equivariant neural network that preserves the crystallographic symmetry, the magnetic structure (ferromagnetic, antiferromagnetic, and nonmagnetic) and magnetic propagation vector (zero or non-zero) can be predicted with an average accuracy of 77.8% and 73.6%. In particular, a 91% accuracy is reached when predicting no magnetic ordering even if the structure contains magneticelement(s). Ourworkrepresents onestepforwardtosolvingthegrand challenge of full magnetic structure determination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Effect of post-weld heat treatment on microstructure and mechanical properties of rotary inertia friction welded dissimilar 422-4140 martensitic steel piston joints

The study investigated how post‐weld heat treatment (PWHT) temperature affects the microstructure and localized deformation/fracture during bend testing of rotary inertia friction welds (RIFW) between AISI 422 stainless steel and AISI 4140 steel. RIFW produced a fully martensitic interface with approximately 550 HV hardness in both the thermo-mechanically affected (TMAZ) and heat‐affected zones (HAZ). Due to differences in temper resistance, the 4140 TMAZ/HAZ softened progressively under PWHT temperatures from 525 °C to 700 °C, while the 422 TMAZ unexpectedly maintained about 550 HV up to 600 °C before significantly softening at temperatures ≥625 °C. This asymmetric softening generated steep hardness gradients across the interface at temperatures ≤600 °C. Furthermore, carbon migration across the interface was minimal up to 600 °C, moderate at 625 °C, and by 700 °C produced a carbide‐rich eutectoid layer in the 422 TMAZ alongside a carbon‐depleted soft ferrite layer in the 4140 TMAZ. Strain during bending was PWHT‐dependent, concentrating on the 4140 side; in as-welded joints, the high hardness led to deformation and crack initiation in the base metals, whereas in PWHT samples, cracking initiated in the softened 4140 TMAZ near the interface. The intermediate PWHT temperature of 625 °C offered the best balance of limited carbon diffusion across the interface, relatively low peak weld hardness and minimized hardness gradients across the interface, more homogenous deformation, and good bend test performance.

4140 low-alloy steel↗