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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Direct neutrino-mass measurement with sub-electronvolt sensitivity

Since the discovery of neutrino oscillations, we know that neutrinos have non-zero mass. However, the absolute neutrino-mass scale remains unknown. Here we report the upper limits on effective electron anti-neutrino mass, m ν , from the second physics run of the Karlsruhe Tritium Neutrino experiment. In this experiment, m ν is probed via a high-precision measurement of the tritium β-decay spectrum close to its endpoint. This method is independent of any cosmological model and does not rely on assumptions whether the neutrino is a Dirac or Majorana particle. By increasing the source activity and reducing the background with respect to the first physics campaign, we reached a sensitivity on m ν –2 at a 90% confidence level (CL). The best fit to the spectral data yields m$^2_ν$ = (0.26 ± 0.34) eV 2 c –4 , resulting in an upper limit of m ν < 0.9 eV c –2 at 90% CL. By combining this result with the first neutrino-mass campaign, we find an upper limit of m ν < 0.8 eV c –2 at 90% CL.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Predicting Selectivity of Uranium vs. Vanadium from First Principles: Complete Molecular Design and Adsorption Modeling

Uranium is used as the basic fuel for nuclear power plants, which generate significant amounts of electricity and have life cycle carbon emissions that are as low as renewable energy sources. The extraction of this valuable energy commodity from the ground remains controversial, however, mainly because of environmental and health impacts. Alternatively, seawater offers an enormous uranium resource that may be tapped at minimal environmental cost. Currently, amidoxime polymers are the most widely considered adsorbent materials for large-scale extraction of uranium from seawater, but they are not perfectly selective for uranyl, UO 2 2+ . In particular, the competition between UO 2 2+ and vanadium (VO 2+ /VO 2 + ) cations poses a significant challenge to the efficient mining of UO 2 2+ . Thus, accelerating progress in the discovery and deployment of advanced materials for the recovery of uranium relies on the design of new ligands with high binding affinity and selectivity for uranium over competing metal ions. A cost-effective route to aid the discovery of new ligands is to apply computational methods to rapidly test attractive candidates and elucidate data-driven guidelines for rational design.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2019

NASA EOSDIS Data Usage Metrics- Insight and Assessment

NASA's Earth Science Data and Information System (ESDIS) Project collects Earth science data usage metrics on a daily basis through the ESDIS Metrics System (EMS). This includes metrics on distribution of data products, users, data volumes, and number of files, which are key parameters in evaluating system-level performance of any of the Distributed Active Archive Centers (DAACs) encompassed by NASA's Earth Observing System (EOS) Data and Information System (EOSDIS). EOSDIS data usage metrics illustrate the benefits of making NASA data openly available to the public and show a rapid growth in data distribution to a worldwide user community. In fact, each year since 2014 the EOSDIS has distributed over one billion data files of products from EOS satellite, airborne, and in situ observations. An assessment of the long-term trends of data usage metrics and user characterization provides insights into data usability.This study will focus on describing the EMS as a metrics collection tool and will provide a comprehensive analysis of EOSDIS data usage metrics over the last 10 years. This study will also characterize the product distribution metrics by various tools and services, such as Giovanni, the Open-source Project for a Network Data Access Protocol (OPeNDAP), and subsets, to address how these tools/services have extended the usage of data in the EOSDIS collection. Data usage patterns based on discipline and study area will further assist in understanding how EOSDIS data user needs have evolved over time. Results from this study will provide useful information for the DAACs that can help them improve the functionality of their tools and services as well as more efficiently allocate the resources necessary for enhanced access and availability of their data products. Knowledge of these metrics may also benefit user discovery of data in the EOSDIS collection, promote research collaboration, and stimulate new ideas from work and research conducted using specific datasets and data collections.

Kafle, Durga N.↗
NASA NTRS2020

The Zwicky Transient Facility Bright Transient Survey. I. Spectroscopic Classification and the Redshift Completeness of Local Galaxy Catalogs

The Zwicky Transient Facility (ZTF) is performing a three-day cadence survey of the visible northern sky (∼3π) with newly found transient candidates announced via public alerts. The ZTF Bright Transient Survey (BTS) is a large spectroscopic campaign to complement the photometric survey. BTS endeavors to spectroscopically classify all extragalactic transients with m(peak) ≤ 18.5 mag in either the g(ZTF) or r(ZTF) filters, and publicly announce said classifications. BTS discoveries are predominantly supernovae (SNe), making this the largest flux-limited SN survey to date. Here we present a catalog of 761 SNe, classified during the first nine months of ZTF (2018 April 1–2018 December 31). We report BTS SN redshifts from SN template matching and spectroscopic host-galaxy redshifts when available. We analyze the redshift completeness of local galaxy catalogs, the redshift completeness fraction (RCF; the ratio of SN host galaxies with known spectroscopic redshift prior to SN discovery to the total number of SN hosts). Of the 512 host galaxies with SNe Ia, 227 had previously known spectroscopic redshifts, yielding an RCF estimate of 44% ± 4%. The RCF decreases with increasing distance and decreasing galaxy luminosity (for z < 0.05, or ∼200 Mpc, RCF ≈ 0.6). Prospects for dramatically increasing the RCF are limited to new multifiber spectroscopic instruments or wide-field narrowband surveys. Existing galaxy redshift catalogs are only ∼50% complete at r ≈ 16.9 mag. Pushing this limit several magnitudes deeper will pay huge dividends when searching for electromagnetic counterparts to gravitational wave events or sources of ultra-high-energy cosmic rays or neutrinos.

C. Fremling↗
DOE OSTI2015

OGLE-2012-BLG-0563Lb: A saturn-mass planet around an M dwarf with the mass constrained by Subaru AO imaging

We report the discovery of a microlensing exoplanet OGLE-2012-BLG-0563Lb with the planet–star mass ratio of ∼1×10{sup −3}. Intensive photometric observations of a high-magnification microlensing event allow us to detect a clear signal of the planet. Although no parallax signal is detected in the light curve, we instead succeed at detecting the flux from the host star in high-resolution JHK′-band images obtained by the Subaru/AO188 and Infrared Camera and Spectrograph instruments, allowing us to constrain the absolute physical parameters of the planetary system. With the help of spectroscopic information about the source star obtained during the high-magnification state by Bensby et al., we find that the lens system is located at 1.3{sub −0.8}{sup +0.6} kpc from us, and consists of an M dwarf (0.34 {sub −0.20}{sup +0.12}M{sub ⊙}) orbited by a Saturn-mass planet (0.39 {sub −0.23}{sup +0.14}M{sub Jup}) at the projected separation of 0.74{sub −0.42}{sup +0.26} AU (close model) or 4.3{sub −2.5}{sup +1.5} AU (wide model). The probability of contamination in the host star’s flux, which would reduce the masses by a factor of up to three, is estimated to be 17%. This possibility can be tested by future high-resolution imaging. We also estimate the (J−K{sub s}) and (H−K{sub s}) colors of the host star, which are marginally consistent with a low metallicity mid-to-early M dwarf, although further observations are required for the metallicity to be conclusive. This is the fifth sub-Jupiter-mass (0.2<m{sub p}/M{sub Jup}<1) microlensing planet around an M dwarf with the mass well constrained. The relatively rich harvest of sub-Jupiters around M dwarfs is contrasted with a possible paucity of ∼1–2 Jupiter-mass planets around the same type of star, which can be explained by the planetary formation process in the core-accretion scheme.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Observation of New Isotopes in the Fragmentation of Pt 198 at FRIB

Five previously unknown isotopes ( 182,183 Tm, 186,187 Yb, 190 Lu) were produced, separated, and identified for the first time at the Facility for Rare Isotope Beams (FRIB) using the Advanced Rare Isotope Separator (ARIS). The new isotopes were formed through the interaction of a 198 Pt beam with a carbon target at an energy of 186 MeV/u and with a primary beam power of 1.5 kW. Event-by-event particle identification of A, Z, and q for the reaction products was performed by combining measurements of the energy loss, time of flight, magnetic rigidity Bρ, and total kinetic energy. The ARIS separator has a novel two-stage design with high resolving power to strongly suppress contaminant beams. Finally, this successful new isotope search was performed less than one year after FRIB operations began and demonstrates the discovery potential of the facility which will ultimately provide 400 kW of primary beam power.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1985

Ultrahigh energy gamma rays: Carriers of cosmological information

Observational data being the basis of contemporary cosmological models are not numerous: Hubble law of redshift for galaxies, element abundances, and observation of cosmic microwave background radiation (MBR). The significance of MBR discovery predicted in the Big-Band model is particularly stressed. Radio astronomical measurements give an information on MBR only near the Earth. Experimental confirmation of evolution of MBR, i.e., its probing in remote epochs, might obviously present a direct verification of the hypothesis of hot expanding Universe. The carriers of similar cosmological information should be particles which, firstly, effectively interact with MBR, and secondly, make it possible to identify unambiguously the epoch of interaction. A possibility to verify a number of cosmological hypotheses by searching the cutoffs in spectra of ultrahigh energy gamma-rays (UHEGR) from extragalactic sources is discussed.

Aharonian, F. A.↗
NASA NTRS1993

Mars: New evidence for origin of some Valles Marineris layered deposits

The discovery of layered deposits in the walls of a deep trough in Lunae Planum has implications for the origin of similar-appearing deposits in some canyons of Valles Marineris. Although layering is visible in the competent, cliff-forming upper walls of the canyons, the dissimilarity in appearance between canyon walls and soft rounded hills of layered deposits on canyon floors, as well as their contrasting patterns of erosion, has been considered strong evidence that their modes of origin were different. Most workers agree that the wall rocks are volcanic flows derived from fissure vents and other volcanic sources in the region. However, several hypotheses have been advanced to account for the softer-appearing stratified floor deposits. Chief among them is the proposal that the floor deposits are waterlaid sediments that accumulated in large lakes within the canyons and include materials eroded from canyon walls, eolian deposits, and subaqueous volcanic eruptives.

Scott, David H.↗
NASA NTRS1994

EGRET upper limits to the high-energy gamma-ray emission from the millisecond pulsars in nearby globular clusters

We report upper limits to the high-energy gamma-ray emission from the millisecond pulsars (MSPs) in a number of globular clusters. The observations were done as part of an all-sky survey by the energetic Gamma Ray Experiment Telescope (EGRET) on the Compton Gamma Ray Observatory (CGRO) during Phase I of the CGRO mission (1991 June to 1992 November). Several theoretical models suggest that MSPs may be sources of high-energy gamma radiation emitted either as primary radiation from the pulsar magnetosphere or as secondary radiation generated by conversion into photons of a substantial part of the relativistic e(+/-) pair wind expected to flow from the pulsar. To date, no high-energy emission has been detected from an individual MSP. However, a large number of MSPs are expected in globular cluster cores where the formation rate of accreting binary systems is high. Model predictions of the total number of pulsars range in the hundreds for some clusters. These expectations have been reinforced by recent discoveries of a substantial number of radio MSPs in several clusters; for example, 11 have been found in 47 Tucanae (Manchester et al.). The EGRET observations have been used to obtain upper limits for the efficiency eta of conversion of MSP spin-down power into hard gamma rays. The upper limits are also compared with the gamma-ray fluxes predicted from theoretical models of pulsar wind emission (Tavani). The EGRET limits put significant constraints on either the emission models or the number of pulsars in the globular clusters.

Michelson, P. F.↗
NASA NTRS1999

Discovery of a New Soft Gamma Repeater, SGR 1627-41

We report the discovery of a new soft gamma repeater (SGR), SGR 1627-41, and present BATSE observations of the burst emission and BeppoSAX Narrow-Field Instrument observations of the probable persistent X-ray counterpart to this SGR. All but one burst spectrum are well fit by an optically thin thermal bremsstrahlung model with kT values between 25 and 35 keV. The spectrum of the X-ray counterpart, SAX J1635.8-4736, is similar to that of other persistent SGR X-ray counterparts. We find weak evidence for a periodic signal at 6.41 s in the light curve for this source. Like other SGRs, this source appears to be associated with a young supernova remnant, G337.0-0.1. Based upon the peak luminosities of bursts observed from this SGR, we find a lower limit on the dipole magnetic field of the neutron star of B(sub dipole) approximately > 5 x 10(exp 14) G.

Woods, Peter M.↗
NASA NTRS2003

Analysis of Moessbauer Data from Mars: A Database and Artificial Neural Network for Identification of Iron-bearing Phases

The exploration of the planet Mars is one of the major goals within the Solar system exploration programs of the US-American space agency NASA and the European Space Agency ESA. In particular the search for water and life and understanding of the history of the surface and atmosphere will be the major tasks of the upcoming space missions to Mars. The miniaturized Moessbauer spectrometer MIMOS II has been selected for the NASA Mars-Exploration-Rover twin-mission to Mars in 2003 and the ESA 2003 Mars-Express Beagle 2 mission. Reduced in size and weight, in comparison to ordinary laboratory setup, the sensor head just weights approximately 400 g, with a volume of (50x50x90) cu mm, and holds two gamma-ray sources: the stronger for experiments and the weaker for calibrations. The collimator (in sample direction) also shields the primary radiation off the detectors. Around the drive four detectors are mounted. The detectors are made of Si-PIN-photodiodes in chip form (100 sq mm, thickness of 0.5 mm). The control unit is located in a separate electronics board. This board is responsible for the power supply, generation of the drive's velocity reference signal, read of the detector pulses to record the spectrum, data storage and communication with the host computer. After more than four decades from the discovery of the Moessbauer effect, more than 400 minerals were studied at different temperatures. Their Moessbauer parameters were reported in the literature, and have been recently collected in a data bank. Previous Mars-missions, namely Viking and Mars Pathfinder, revealed Si, Al, Fe, Mg, Ca, K, Ti, S and Cl to be the major constituents in soil and rock elemental composition of the red planet. More than 200 minerals already studied by Moessbauer spectroscopy contain significant amounts of these elements. A considerable number of Moessbauer studies were also carried out on meteorites and on Moon samples. Looking backward in the studies of the whole Moessbauer community, we have built a specific library containing Moessbauer parameters of those possible Mars minerals. The selected minerals, their Moessbauer parameter values (min. max. s.d and number of available data), main site substitution, behavior as a function of temperature and a ranking as expected to be found on Mars were organized. Mars-analogue Fe-bearing minerals not studied by Moessbauer spectroscopy are being collected and investigated. In addition, it an identification system based on Artificial Neural Networks (ANN) was implemented which enables fast and precise mineral identification from the experimental Moessbauer parameters at a given temperature.

P A de Souza Jr.↗
NASA NTRS2011

The Interstellar Bullet Engine IRAS 05506+2414

Throughout their life-cycles, high-mass stars inject large amounts of energy and momentum into theirenvironments through stellar winds. Results from a study of the Orion BN/KL region indicate that disruption of a massive young stellar system can lead to an explosive event producing a wide-angle outflow, different from the classical bipolar flows driven by young stellar object (YSO) accretion disks. The discovery of a massive YSO, IRAS 05506+2414, may prove to be the second instance of this uncommon outflow. Prior to this study, data was collected using the Arizona Radio Observatory's 10-meter and 12-meter telescopes. Spectra of 16 different molecular line transitions were organized, reduced, and prepared for further analysis. A variety of molecular transitions were observed, such as 12CO 2-1, HCO+ 3-2, CS 3-2, in order to probe physical conditions of the YSO. From line transitions like HCO+ 3-2, we will determine physical properties like density, temperature, and velocity of our source object. For each molecular transition, the spectra were averaged in subsets, which were then averaged to produce a final spectra with an optimal signal to noise ratio. Future radiative modeling will yield mass and energetics of IRAS05506+2414.

millimeter-wave↗
DOE OSTI2014

The high-energy γ -ray emission of AP Librae

In this paper, the γ-ray spectrum of the low-frequency-peaked BL Lac (LBL) object AP Librae is studied, following the discovery of very-high-energy (VHE; E> 100 GeV) γ-ray emission up to the TeV range by the H.E.S.S. experiment. This makes AP Librae one of the few VHE emitters of the LBL type. The measured spectrum yields a flux of (8.8 ± 1.5 stat ± 1.8 sys ) × 10 -12 cm -2 s -1 above 130 GeV and a spectral index of Γ = 2.65 ± 0.19 stat ± 0.20 sys . This study also makes use of Fermi-LAT observations in the high energy (HE, E> 100 MeV) range, providing the longest continuous light curve (5 years) ever published on this source. The source underwent a flaring event between MJD 56 306–56 376 in the HE range, with a flux increase of a factor of 3.5 in the 14 day bin light curve and no significant variation in spectral shape with respect to the low-flux state. While the H.E.S.S. and (low state) Fermi-LAT fluxes are in good agreement where they overlap, a spectral curvature between the steep VHE spectrum and the Fermi-LAT spectrum is observed. Finally, the maximum of the γ-ray emission in the spectral energy distribution is located below the GeV energy range.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

From benchtop to raceway: spectroscopic signatures of dynamic biological processes in algal communities

Major scientific challenges hinder the success of an industrial-scale algal biofuels program. Four broad areas of R&D needs have been identified for economically viable, industrial-scale cultivation of algae: culture sustainability; system productivity; nutrient source scaling and sustainability; and water conservation, management, and recycling. Progress in each of these areas is limited by significant knowledge gaps in fundamental algal biology. This SAND report summarizes research conducted as part of an LDRD project (FY10- FY12) to address this shortcoming. We have developed a novel, multidisciplinary, multiscale approach utilizing Sandia’s core expertise in bioanalytical spectroscopy, chemical imaging, remote sensing, genomics, and computational modeling in collaboration with researchers at University of New Mexico and Arizona State University to investigate the effects that dynamic abiotic and biotic stressors have on algal photosynthesis, growth, and lipid production. The discoveries will enable gains in productivity and sustainability that are critical for cost-effective, industrial-scale algal facilities.

Timlin, Jerilyn Ann↗
DOE OSTI2015

Geothermal Resource Potential Assessment White Pine County, Nevada, NBMG Report 55

Geothermal resources can potentially contribute toward the renewable energy portfolio of White Pine County (WPC) in two ways: first through the direct conversion of heat energy into electricity, and the second by way of direct-use applications in which thermal energy is used as a source of heat for buildings, greenhouses, and related structures. Several known geothermal areas within WPC lie proximal to the Southwest Intertie power line currently under construction. A potential source of electricity could come from conventional geothermal systems associated with young faults and regions of active crustal deformation. These systems have a total installed capacity in the Great Basin region of nearly 1,000 MWe. White Pine County hosts several geothermal systems of this type, but none are currently producing electricity. White Pine County has relatively low rates of crustal deformation relative to western NV or the Wasatch region of Utah (e.g., faulting accommodating crustal extension). However, based on a review of the geology in the region, we conclude that sustained and reasonable exploration efforts could result in the discovery and development of one or more electricity-grade geothermal systems, with potential generation capacity at each system in the range of 1–20 MWe. In addition, a new and unproven type of potential geothermal resource termed “deep stratigraphic reservoirs” or “hot sedimentary aquifers” has recently been proposed in the western United States. White Pine County, and in particular, the northern Steptoe Valley, has some of the most promising potential for electricity generation from this type of reservoir in the United States. Preliminary calculations suggest that as much as 500 MWe of baseload electricity in the northern Steptoe Valley could be produced from this type of reservoir using wells reaching depths of 2 to 4 km. The economic feasibility remains unproven, but initial estimates are encouraging. Based on observed surface temperatures and flow rates of springs, several geothermal systems in WPC also have the potential for direct use, including the heating of buildings and greenhouses. Such uses could reduce the consumption of electricity generated from fossil fuels and could lead to economic expansion by extending the growing season for certain agricultural products and reducing utility costs.

15 GEOTHERMAL ENERGY↗
NASA NTRS2002

The Fourier-Kelvin Stellar Interferometer Mission Concept

The Fourier-Kelvin Stellar Interferometer (FKSI) is a mission concept for an imaging interferometer for the mid-infrared spectral region (5-30 microns). FKSI is conceived as a scientific and technological precursor to TPF as well as Space Infrared Interferometric Telescope (SPIRIT), Submillimeter Probe Evolution of Cosmic Structure (SPECS), and Single Aperture for Infrared Observatory (SAFIR). It will also be a high angular resolution system complementary to Next Generation Space Telescope (NGST). The scientific emphasis of the mission is on the evolution of protostellar systems, from just after the collapse of the precursor molecular cloud core, through the formation of the disk surrounding the protostar, the formation of planets in the disk, and eventual dispersal of the disk material. FKSI will also search for brown dwarfs and Jupiter mass and smaller planets, and could also play a very powerful role in the investigation of the structure of active galactic nuclei and extra-galactic star formation. We are in the process of studying alternative interferometer architectures and beam combination techniques, and evaluating the relevant science and technology tradeoffs. Some of the technical challenges include the development of the cryocooler systems necessary for the telescopes and focal plane array, light and stiff but well-damped truss systems to support the telescopes, and lightweight and coolable optical telescopes. The goal of the design study is to determine if a mid-infrared interferometry mission can be performed within the cost and schedule requirements of a Discovery class mission. At the present time we envision the FKSI as comprised of five one meter diameter telescopes arranged along a truss structure in a linear non-redundant array, cooled to 35 K. A maximum baseline of 20 meters gives a nominal resolution of 26 mas at 5 microns. Using a Fizeau beam combination technique, a simple focal plane camera could be used to obtain both Fourier and spectral data simultaneously for a given orientation of the array. The spacecraft will be rotated to give sufficient Fourier data to reconstruct complex images of a broad range of astrophysical sources.

Danchi, W. C.↗
DOE OSTI2013

DISCOVERY OF LYMAN BREAK GALAXIES AT z {approx} 7 FROM THE zFourGE SURVEY

Star-forming galaxies at redshifts z > 6 are likely responsible for the reionization of the universe, and it is important to study the nature of these galaxies. We present three candidates for z {approx} 7 Lyman break galaxies (LBGs) from a 155 arcmin{sup 2} area in the CANDELS/COSMOS field imaged by the deep FourStar Galaxy Evolution (zFourGE) survey. The FourStar medium-band filters provide the equivalent of R {approx} 10 spectroscopy, which cleanly distinguishes between z {approx} 7 LBGs and brown dwarf stars. The distinction between stars and galaxies based on an object's angular size can become unreliable even when using Hubble Space Telescope imaging; there exists at least one very compact z {approx} 7 candidate (FWHM {approx} 0.5-1 kpc) that is indistinguishable from a point source. The medium-band filters provide narrower redshift distributions compared with broadband-derived redshifts. The UV luminosity function derived using the three z {approx} 7 candidates is consistent with previous studies, suggesting an evolution at the bright end (M{sub UV} {approx} -21.6 mag) from z {approx} 7 to z {approx} 5. Fitting the galaxies' spectral energy distributions, we predict Ly{alpha} equivalent widths for the two brightest LBGs, and find that the presence of a Ly{alpha} line affects the medium-band flux thereby changing the constraints on stellar masses and UV spectral slopes. This illustrates the limitations of deriving LBG properties using only broadband photometry. The derived specific star-formation rates for the bright LBGs are {approx}13 Gyr{sup -1}, slightly higher than the lower-luminosity LBGs, implying that the star-formation rate increases with stellar mass for these galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Catlas: an automated framework for catalyst discovery demonstrated for direct syngas conversion

Catalyst discovery is paramount to support access to energy and key chemical feedstocks in a post fossil fuel era. Exhaustive computational searches of large material design spaces using ab initio methods like density functional theory (DFT) are infeasible. We seek to explore large design spaces at relatively low computational cost by leveraging large, generalized, graph-based machine learning (ML) models, which are pretrained and therefore require no upfront data collection or training. We present Catlas, a framework that distributes and automates the generation of adsorbate-surface configurations and ML inference of DFT energies to achieve this goal. Catlas is open source, making ML assisted catalyst screenings easy and available to all. To demonstrate its efficacy, we use Catlas to explore catalyst candidates for the direct conversion of syngas to multi-carbon oxygenates. For this case study, we explore 947 stable/metastable binary, transition metal intermetallics as possible catalyst candidates. On this subset of materials, we are able to predict the adsorption energy of key descriptors, *CO and *OH, with good accuracy (0.16, 0.14 eV MAE, respectively). Using the projected selectivity towards C 2+ oxygenates from an existing microkinetic model, we identified 144 candidate materials. For 10 promising candidates, DFT calculations reveal a good correlation with our assessment using ML. Finally, among the top elemental combinations were Pt–Ti, Pd–V, Ni–Nb, and Ti–Zn, all of which appear unexplored experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗