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NASA NTRS1988

Asteroid and comet flux in the neighborhood of the earth

Significant advances in the knowledge and understanding of the flux of large solid objects in the neighborhood of Earth have occurred. The best estimates of the collision rates with Earth of asteroids and comets and the corresponding production of impact craters are presented. Approximately 80 Earth-crossing asteroids were discovered through May 1988. Among 42 new Earth-crossing asteroids found in the last decade, two-thirds were discovered from observations at Palomar Observatory and 15 were discovered or independently detected in dedicated surveys with the Palomar Observatory and 15 were discovered or independently detected in dedicated surveys with the Palomar 46 cm Schmidt. Probabilities of collision with Earth have been calculated for about two-thirds of the known Earth-crossing asteroids. When multiplied by the estimated population of Earth-crossers, this yields an estimated present rate of collision about 65 pct higher than that previously reported. Spectrophotometric data obtained chiefly in the last decade show that the large majority of obvserved Earth-crossers are similar to asteroids found in the inner part of the main belt. The number of discovered Earth-crossing comets is more than 4 times greater than the number of known Earth-crossing asteroids, but reliable data on the sizes of comet nuclei are sparse. The flux of comets almost certainly was highly variable over late geologic time, owing to the random perturbation of the Oort comet cloud by stars in the solar neighborhood.

Shoemaker, Eugene M.↗

NASA NTRS2006

Thirty Years After: The Science of the Viking Program and the Discovery of a 'New Mars'

Viking discovered a Mars that was very different from the Mars found by Mariner 4, 6 and 7. The new, exciting, more Earth-like Mars was hinted at by the Mariner 9 orbiter and confirmed by Viking. Viking discovered some very fundamental things about Mars. Viking discovered the presence of nitrogen in the atmosphere. A key ingredient needed for life. Viking made the first measurements of the isotopic composition of carbon, oxygen, nitrogen and the noble gases in the atmosphere of Mars. The ratio of 15N to 14N suggested that Mars may have lost more than 99% of the total mass of its atmosphere. The denser atmosphere in the past may explain the presence of flowing water earlier in the history of Mars first discovered by Mariner 9 with additional and higher spatial resolution examples provided by the Viking Orbiters. Viking did not measure organics or life at the surface of Mars. But, Viking did discover a surface unlike any other on the Solar System--a surface exhibiting very high chemical reactivity, most probably formed by the deposition of chemically active atmospheric gases, like hydrogen peroxide (H2O2) and ozone (O3), onto the surface of Mars.

Levine, Joel S.↗

NASA NTRS2016

History and Development of Coronal Mass Ejections as a Key Player in Solar Terrestrial Relationship

Coronal mass ejections (CMEs) are relatively a recently discovered phenomenon in 1971, some 15 years into the Space Era. It took another two decades to realize that CMEs are the most important players in solar terrestrial relationship as the root cause of severe weather in Earths space environment. CMEs are now counted among the major natural hazards because they cause large solar energetic particle (SEP) events and major geomagnetic storms, both of which pose danger to humans and their technology in space and ground. Geomagnetic storms discovered in the 1700s, solar flares discovered in the 1800s, and SEP events discovered in the 1900s are all now found to be closely related to CMEs via various physical processes occurring at various locations in and around CMEs, when they interact with the ambient medium. This article identifies a number of key developments that preceded the discovery of white-light CMEs suggesting that CMEs were waiting to be discovered. The last two decades witnessed an explosion of CME research following the launch of the Solar and Heliospheric Observatory mission in 1995, resulting in the establishment of a full picture of CMEs.

Gopalswamy, N.↗

DOE OSTI2026

HARMONY: Large-Scale Architecture Search for Efficient Hybrid Language Models

As large language models scale to trillions of parameters, their computational and memory requirements present critical challenges for efficient training and deployment. While Mixture of Experts (MoE) architectures enable efficient scaling through sparse parameter activation, and state-space models like Mamba offer linear-time complexity, principled methods for combining these paradigms remain undeveloped. We introduce HARMONY (Hybrid Architecture Research for Mamba, Optimized with Neural efficiencY), a multi-objective evolutionary neural architecture search framework for discovering efficient hybrid language models that integrate Transformer attention mechanisms, Mixture-of-Experts routing, and Mamba state-space components. Through large-scale distributed search using 16,384 MI250X GPUs on the Frontier supercomputer, HARMONY explores a comprehensive design space encompassing six attention variants (MHA, MQA, GQA, MLA, SWA, and Mamba-2), variable MoE configurations with both routed and shared experts, and extensive Mamba hyperparameters. Our framework discovers heterogeneous architectures that balance training performance with computational efficiency through multi-objective optimization incorporating latency penalties and fitness-based selection. Analysis of discovered architectures reveals that optimal hybrid designs favor heterogeneous component mixing rather than homogeneous patterns, with Mamba-2 and Multi-Head Latent Attention (MLA) emerging as preferred mechanisms. Discovered architectures demonstrate superior training efficiency: our best configuration achieves a final perplexity of 1.0874 with 2.38B parameters while processing 4,320 tokens/second, outperforming significantly larger manually designed models. Full-scale evaluation shows HARMONY's top architectures achieve better loss trajectories than equivalently-sized models using state-of-the-art configurations including Mixtral, Jamba, and Samba. Additionally, we demonstrate 91% weak scaling efficiency when training discovered 36B-parameter models across 1,024 GPUs. HARMONY is released as an open framework with comprehensive tools for building and training hybrid models using expert-data-pipeline parallelism, democratizing access to automated architecture design for next-generation language models.

Herron, Emily [ORNL] (ORCID:0000000273008172)↗

DOE OSTI2025

Use of Fisher's Ratio assisted multivariate curve resolution- alternating least squares for discovery-based analysis using ultrahigh pressure liquid chromatography-high resolution mass spectrometry

Non-targeted analysis of complex chemical mixtures can be difficult considering the convoluted nature of the matrix and the potential unknown chemical differences between samples or classes of samples. Ultrahigh pressure liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF) is an ideal technique to probe chemical differences for a wide variety of samples. While UHPLC-QTOF can discover minute chemical differences down to low part per billion (ppb) concentrations with a high degree of confidence, the application of high-resolution mass spectrometry can yield massive amounts of information (∼ 10 gb per sample) that cannot be analyzed manually. Therefore, the application of chemometric techniques is mandatory for the interrogation of complex samples. Fisher's ratio (FR) assisted multivariate curve resolution-alternating least squares (MCR-ALS) was used to the discover and identify the chemical differences between two classes of materials: 1) a pond water matrix and 2) the matrix spiked with a pharmaceutical standard mix containing 17 compounds. Thirteen of the seventeen spiked compounds were discovered using FR analysis, and then five were successfully deconvoluted using MCR-ALS wherein the number of curves chosen were automatically determined using singular value decomposition (SVD). In conclusion, the use of an automated FR assisted MCR-ALS will aid in discovering trace levels of chemical components without the need for the researcher to provide potentially biased input which will aid in non-targeted workflow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Constrained or unconstrained? Neural-network-based equation discovery from data

Throughout many fields, practitioners often rely on differential equations to model systems. Yet, for many applications, the theoretical derivation of such equations and/or the accurate resolution of their solutions may be intractable. Instead, recently developed methods, including those based on parameter estimation, operator subset selection, and neural networks, allow for the data-driven discovery of both ordinary and partial differential equations (PDEs), on a spectrum of interpretability. The success of these strategies is often contingent upon the correct identification of representative equations from noisy observations of state variables and, as importantly and intertwined with that, the mathematical strategies utilized to enforce those equations. Specifically, the latter has been commonly addressed via unconstrained optimization strategies. Representing the PDE as a neural network, we propose to discover the PDE (or the associated operator) by solving a constrained optimization problem and using an intermediate state representation similar to a physics-informed neural network (PINN). The objective function of this constrained optimization problem promotes matching the data, while the constraints require that the discovered PDE is satisfied at a number of spatial collocation points. We present a penalty method and a widely used trust-region barrier method to solve this constrained optimization problem, and we compare these methods on numerical examples. Our results on several example problems demonstrate that the latter constrained method outperforms the penalty method, particularly for higher noise levels or fewer collocation points. This work motivates further exploration into using sophisticated constrained optimization methods in scientific machine learning, as opposed to their commonly used, penalty-method or unconstrained counterparts. For both of these methods, we solve these discovered neural network PDEs with classical methods, such as finite difference methods, as opposed to PINNs-type methods relying on automatic differentiation. Here, we briefly highlight how simultaneously fitting the data while discovering the PDE improves the robustness to noise and other small, yet crucial, implementation details.

Data-driven discovery↗

DOE OSTI2021

Comprehensive framework for data-driven model form discovery of the closure laws in thermal-hydraulics codes

The two-phase two-fluid model is a basis of many thermal-hydraulics codes used in design, licensing, and safety considerations of nuclear power plants. Thermal-hydraulics codes rely on the closure laws to close the system of conservation equations and describe the interactions between phases. These laws, derived from years of experimental investigations, are semi-empirical correlations that lack generality and have a limited range of applicability. Increase of computational power, availability of new experiments, and development of high-fidelity simulations has increased the number of validation data. The discrepancies between the code predictions and the validation data are a great source of knowledge. Missing physics that are not included in the model but are important for the considered phenomena can be discovered by propagating the information from the experimental results through the model. Furthermore, physics-discovered data-driven model form (P3DM) methodology integrates available integral effect tests and separate effects tests to determine the necessary corrections to the model form of the closure laws. In contrast to existing calibration techniques, the methodology modifies the functional form of the closure laws. Based on the functional form of the correction, the missing physics that were not included in the original model can be discovered. The methodology provides the alternative to the machine learning approach, in which the model is discovered in the form of the intractable black-box relation. In this work, the methodology was applied to the CTF subchannel code to improve the prediction of the two-phase flow phenomena.

42 ENGINEERING↗

DOE OSTI2022

New quantum physics, solving puzzles of Wheeler’s delayed choice and a particle’s passing N slits simultaneously and quantum oscillator in experiments

Abstract This paper discovers new quantum physics, and gives solutions to puzzles of Wheeler’s delayed choice and a particle’s passing many slits simultaneously by exact quantum physics expressions. We further show new quantum control, new quantum oscillation, new quantum control experiments and new quantum oscillator being able to be installed in quantum communication network etc. We discover that the ability of a photon to hit electrons out in photoelectric effect is complementarily equivalent to the ability of wave of a photon to simultaneously pass through many slits in wave-particle duality. Objective criterion for distinguishing classical and quantum particles is found, and this paper gives applicable realm of quantum theories and new quantum physics expressions of wave-particle duality. All these studies above should be classified as classical and quantum particles, then classical particle and quantum particle wave cannot and can pass many slits, respectively. This paper discovers wave-particle duality’s origin of displaying both wave property from plane wave part of the general Fourier expansion and particle property from the general Fourier expansion coefficients with the particle’s global property and spins etc. We give the superposition state representation of wave-particle duality, further find the collapse of the duality superposition state to wave or particle state. The collapsed wave or particle state is related to the measure of wave or particle property. Then, we explain why sometimes it's a wave or a particle. Our achieved results are truly tested, and we discover new measured attractive state and quantum wave collapse velocity expression.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Novel Microbial Routes to Synthesize Industrially Significant Precursor Compounds

Ethylene is the most widely employed organic precursor compound in industry. The potential to impact ethylene formation via recently discovered microbial processes is tenable using plentiful CO2 feedstocks. The overall long-term objective of this project was to develop an industrially compatible microbial process to synthesize ethylene in high yields. The key objective of this project was to fully define and initially characterized a recently discovered and genetically regulated anaerobic pathway to produce high levels of ethylene called the Dihydroxyacetone Phosphate - Ethylene Pathway in phototrophic bacteria. This was addressed through the following specific aims: 1. Fully probe the catalytic potential of all enzymes of the DHAP ethylene pathway and determine the regulatory mechanism of DHAP-ethylene pathway gene expression. 2. Discover effective and active ethylene enzymes encoded in cultured and uncultured organisms from anoxic environments. 3.Model the thermodynamics and kinetics of ethylene synthetic pathways to guide engineering efforts in integrating best performing DHAP-ethylene pathway enzymes into model bacteria chassis for enhance ethylene yields. Through this project we discovered the initially missing genetic and enzyme component of the DHAP-ethylene pathway that directly synthesized ethylene and other important industrial compounds like methane and ethane from specific substrates. We uncovered and partially characterized a nitrogenase-like reductase that functions in DHAP-ethylene pathway specifically and in methionine synthesis in general. This nitrogenase-like system is called the Methylthio-Alkane Reductase (MAR) for its ability to cleave volatile organic sulfur compounds into methanethiol (CH3-SH) for methionine synthesis and a hydrocarbon byproduct. Key to the DHAP-ethylene pathway, MAR is the essential enzyme that cleaves 2-methylthioethanol (CH3-S-CH2-CH2-OH) into ethylene. Coordinately, we uncovered that the MAR genes and genes associated with conversion of methanethiol (CH3-SH) to methionine are under genetic control of a LysR Type Transcriptional Regulator called SalR, whose activity is dependent upon the amount of sulfate available to the cell. When sulfate as the preferred sulfur source for cell growth drops below 200 micromolar, SalR become active for expressing the MAR and methionine biosynthesis genes to enable the cell to grow from volatile organic sulfur compounds and make ethylene. Metabolic thermos-kinetic modeling revealed that these MAR reactions for ethylene and other hydrocarbon production are highly thermodynamically favorable and are one of the largest driving forces for ethylene production by the DHAP-ethylene pathway for high ethylene yields. Modeling also indicated that a key aldolase and to a lesser extent an isomerase of the DHAP-ethylene pathway for production of the ethylene precursor, 2-methylthioethanol, also would increase ethylene yields. Through metagenomic mining and gene synthesis by the JGI DNA synthesis program, over 500 aldolase and isomerase homologs were synthesized and screened. From this, variants were uncovered with substantially higher activity that increased ethylene yields 5-fold via the aldolase reaction and 1.5-fold via the isomerase reaction. Each of these elements that increase ethylene production were integrated together via plasmid under appropriate gene promoter elements in the phototrophic bacterium, Rhodospirillum rubrum, resulting in at least 3 orders of magnitude increase in ethylene yield from carbon dioxide feedstock.

10 SYNTHETIC FUELS↗

DOE OSTI2022

DEEPER: An Intergrated Platform for Deeper Roots

Crops with deeper roots would have multiple benefits, including better drought tolerance, reduced requirement for nitrogen fertilizer, and better sequestration of atmospheric CO 2 . DEEPER is an integrated platform of phenomic, genomic, and in silico technologies to generate maize lines with deeper roots. DEEPER is: LEADER (Leaf Elemental Accumulation from Deep Roots) is a breakthrough technology to nondestructively measure rooting depth by using the plant itself as a sensor. LEADER uses handheld X-ray Fluorescence spectrometry to quantify foliar accumulation of elements that are differentially distributed in the soil profile. LEADER is nondestructive and is orders of magnitude cheaper, faster, and more precise than any competing assay of rooting depth in the field. LEADER is able to distinguish deep-rooted from shallow-rooted maize lines in the field without the need for costly and noisy soil coring. RootRobot/DIRT3D, to automatically phenotype root architecture in any field, combining RootRobot, a mechatronics platform to excavate, clean, section, and image mature root crowns, with DIRT3D, software to quantify architectural traits in 3D. Anatomics, a high-throughput platform to phenotype root anatomy, combining LAT 2.0, a technology for 3D imaging of root anatomy and composition, with RootScan3D, software to automatically extract 3D anatomical and cell wall composition metrics from LAT 2.0 output. Using this platform we discovered two novel root traits, parenchyma cell wall thickness and multiseriate cortical sclerenchyma, that improve rooting depth and drought tolerance in maize and wheat. OpenSimRoot/Deep, software to simulate root interaction with hard subsoils. Using this platform we discovered novel concepts regarding how to increase crop rooting depth by modulating how individual root axes respond to hard soil. DeepGenes, a toolkit of genes, parent lines, and genomic selection strategies to enable breeding hybrids with deeper roots. We discovered 3 novel root genes that increase rooting depth in maize and wheat. DEEPER discovered novel root phenotypes for deeper rooting, and delivered validated ideotypes for deeper-rooted maize; novel technologies to rapidly assess root depth, root architecture and anatomy in field-grown plants; novel software tools for root modeling and 3D image analysis of root architecture and anatomy; and validated genes and genomic selection models to deploy traits for deeper rooting in maize breeding. Each DEEPER technology is transformative in its own right, and exceeds existing technologies. They are mutually synergistic, deployable for field-grown plants, and are ready for application. The phenotyping and modeling technologies are readily applicable to many crops, and genetic leads in maize may have utility in other grasses. Taken as a whole they represent a transformative platform to develop deeper-rooted crops, with greater drought tolerance, reduced fertilizer requirement, and greater carbon sequestration.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

First Cosmology Results using Supernovae Ia from the Dark Energy Survey: Survey Overview, Performance, and Supernova Spectroscopy

We present details on the observing strategy, data-processing techniques, and spectroscopic targeting algorithms for the first three years of operation for the Dark Energy Survey Supernova Program (DES-SN). This five-year program using the Dark Energy Camera mounted on the 4 m Blanco telescope in Chile was designed to discover and follow supernovae (SNe) Ia over a wide redshift range (0.05 < z < 1.2) to measure the equation-of-state parameter of dark energy. We describe the SN program in full: strategy, observations, data reduction, spectroscopic follow-up observations, and classification. From three seasons of data, we have discovered 12,015 likely SNe, 308 of which have been spectroscopically confirmed, including 251 SNe Ia over a redshift range of 0.017 < z < 0.85. We determine the effective spectroscopic selection function for our sample and use it to investigate the redshift-dependent bias on the distance moduli of SNe Ia we have classified. The data presented here are used for the first cosmology analysis by DES-SN (“DES-SN3YR”), the results of which are given in Dark Energy Survey Collaboration et al. The 489 spectra that are used to define the DES-SN3YR sample are publicly available at https://des.ncsa.illinois.edu/releases/sn.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

A Deep and Wide Twilight Survey for Asteroids Interior to Earth and Venus

We are conducting a survey using twilight time on the Dark Energy Camera with the Blanco 4 m telescope in Chile to look for objects interior to Earth's and Venus' orbits. To date we have discovered two rare Atira/Apohele asteroids, 2021 LJ4 and 2021 PH27, which have orbits completely interior to Earth's orbit. We also discovered one new Apollo-type Near Earth Object (NEO) that crosses Earth's orbit, 2022 AP7. Two of the discoveries have diameters ≳1 km. 2022 AP7 is likely the largest Potentially Hazardous Asteroid (PHA) discovered in about eight years. To date we have covered 624 square degrees of sky near to and interior to the orbit of Venus. The average images go to 21.3 mag in the r band, with the best images near 22nd mag. Our new discovery 2021 PH27 has the smallest semimajor axis known for an asteroid, 0.4617 au, and the largest general relativistic effects (53 arcsec/century) known for any body in the solar system. The survey has detected ~15% of all known Atira NEOs. We put strong constraints on any stable population of Venus co-orbital resonance objects existing, as well as the Atira and Vatira asteroid classes. These interior asteroid populations are important to complete the census of asteroids near Earth, including some of the most likely Earth impactors that cannot easily be discovered in other surveys. Comparing the actual population of asteroids found interior to Earth and Venus with those predicted to exist by extrapolating from the known population exterior to Earth is important to better understand the origin, composition, and structure of the NEO population.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1988

Astrometric observations of asteroids and small bodies

Comets and asteroids are observed with the Palomar 1.5 m telescope using a charge coupled device (CCD) array. The goal is observations of astrometric quality (the reduction to position is separately funded) and the priorities are comets plus minor planets which are planet crossers, have high inclinations, or otherwise have unusual orbits. The stress is on recoveries of comets and asteroids seen at previous oppositions and follow up on newly discovered objects. Surveys and new discoveries are not being attempted. The modest amount of available dark time is used for faint objects, while brighter objects can be followed in the more plentiful light time. Since asteroids are usually discovered near perihelion when bright, the next several opportunities for recovery are normallly fainter. Thus recoveries and follow up with big telescopes complement surveys by smaller instruments. During the past year two periodic comets were recovered. They were P/Jackson-Neujmin (1987t) and P/Longmore (1987c1). Both were shared recoveries. A follow up observation of the newly-discovered comet Rudenko (1987u) appeared on an IAU card as did the newly discovered Comet Maury-Phinney (1988c). A magnitude 14.4 outburst of comet Schwassmann-Wachmann 1 was recorded at the end of May and was reported on an IAU card.

Williams, James G.↗

NASA NTRS2001

ODC-Free Solvent Implementation Issues for Vulcanized Rubber and Bond Systems

Thiokol Propulsion has worked extensively to replace 1,1,1-trichloroethane (TCA) with ozone depleting chemicals (ODC)-free solvents for use in the manufacture of the Reusable Solid Rocket Motor (RSRM) for the Space Shuttle Program. As Thiokol has transitioned from sub-scale to full-scale testing and implementation of these new solvents, issues have been discovered which have required special attention. The original intent of Thiokol's solvent replacement strategy was to replace TCA with a single drop-in solvent for all equivalent applications. We have learned that a single candidate does not exist for replacing TCA. Solvent incompatibility with process materials has caused us to seek for niche solvents and/or processing changes that provide an ODC-free solution for special applications. This paper addresses some of the solvent incompatibilities, which have lead to processes changes and possible niche solvent usage. These incompatibilities were discovered during full-scale testing of ODC-free solvents and relate to vulcanized rubber and bond systems in the RSRM. Specifically, the following items are presented: (1) Cure effects of d-limonene based solvents on Silica Filled Ethylene Propylene Diene Monomer (SF-EPDM) rubber. During full-scale test operations, Thiokol discovered that d-limonene (terpene) based solvents inhibit the cure of EPDM rubber. Subsequent testing showed the same issue with Nitrile Butadiene Rubber (NBR). Also discussed are efforts to minimize uncured rubber exposure to solvents; and (2) Cured bond system sensitivity to ODC-free solvents. During full scale testing it was discovered that a natural rubber to steel vulcanized bond could degrade after prolonged exposure to ODC-free solvents. Follow on testing showed that low vapor pressure and residence time seemed to be most likely cause for failure.

Hodgson, James R.↗

NASA NTRS2012

Bay Breeze Influence on Surface Ozone at Edgewood, MD During July 2011

Surface ozone (O3) was analyzed to investigate the role of the bay breeze on air quality at two locations in Edgewood, Maryland (lat: 39.4deg, lon: −76.3deg) for the month of July 2011. Measurements were taken as part of the first year of NASA's "Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality" (DISCOVER-AQ) Earth Venture campaign and as part of NASA's Geostationary for Coastal and Air Pollution Events Chesapeake Bay Oceanographic campaign with DISCOVER-AQ (Geo-CAPE CBODAQ). Geo-CAPE CBODAQ complements DISCOVER-AQ by providing ship-based observations over the Chesapeake Bay. A major goal of DISCOVER-AQ is determining the relative roles of sources, photochemistry and local meteorology during air quality events in the Mid-Atlantic region of the U.S. Surface characteristics, transport and vertical structures of O3 during bay breezes were identified using in-situ surface, balloon and aircraft data, along with remote sensing equipment. Localized late day peaks in O3 were observed during bay breeze days, maximizing an average of 3 h later compared to days without bay breezes. Of the 10 days of July 2011 that violated the U.S. Environmental Protection Agency (EPA) 8 h O3 standard of 75 parts per billion by volume (ppbv) at Edgewood, eight exhibited evidence of a bay breeze circulation. The results indicate that while bay breezes and the processes associated with them are not necessary to cause exceedances in this area, bay breezes exacerbate poor air quality that sustains into the late evening hours at Edgewood. The vertical and horizontal distributions of O3 from the coastal Edgewood area to the bay also show large gradients that are often determined by boundary layer stability. Thus, developing air quality models that can sufficiently resolve these dynamics and associated chemistry, along with more consistent monitoring of O3 and meteorology on and along the complex coastline of Chesapeake Bay must be a high priority.

bay breeze↗

NASA NTRS2022

A Deep and Wide Twilight Survey for Asteroids Interior to Earth and Venus

We are conducting a survey using twilight time on the Dark Energy Camera with the Blanco 4 m telescope in Chile to look for objects interior to Earth's and Venus' orbits. To date we have discovered two rare Atira/Apohele asteroids, 2021 LJ4 and 2021 PH27, which have orbits completely interior to Earth's orbit. We also discovered one new Apollo-type Near Earth Object (NEO) that crosses Earth's orbit, 2022 AP7. Two of the discoveries have diameters ≳1 km. 2022 AP7 is likely the largest Potentially Hazardous Asteroid (PHA) discovered in about eight years. To date we have covered 624 square degrees of sky near to and interior to the orbit of Venus. The average images go to 21.3 mag in the *r* band, with the best images near 22nd mag. Our new discovery 2021 PH27 has the smallest semimajor axis known for an asteroid, 0.4617 au, and the largest general relativistic effects (53 arcsec/century) known for any body in the solar system. The survey has detected ∼15% of all known Atira NEOs. We put strong constraints on any stable population of Venus co-orbital resonance objects existing, as well as the Atira and Vatira asteroid classes. These interior asteroid populations are important to complete the census of asteroids near Earth, including some of the most likely Earth impactors that cannot easily be discovered in other surveys. Comparing the actual population of asteroids found interior to Earth and Venus with those predicted to exist by extrapolating from the known population exterior to Earth is important to better understand the origin, composition, and structure of the NEO population.

Scott S. Sheppard↗

DOE OSTI2024

New Directions for Thermoelectrics: A Roadmap from High‐Throughput Materials Discovery to Advanced Device Manufacturing

Thermoelectric materials, which can convert waste heat into electricity or act as solid‐state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering materials with high thermoelectric conversion efficiency is a complex and slow process. The emerging field of high‐throughput material discovery demonstrates its potential to accelerate the development of new thermoelectric materials combining high efficiency and low cost. The synergistic integration of high‐throughput material processing and characterization techniques with machine learning algorithms can form an efficient closed‐loop process to generate and analyze broad datasets to discover new thermoelectric materials with unprecedented performances. Meanwhile, the recent development of advanced manufacturing methods provides exciting opportunities to realize scalable, low‐cost, and energy‐efficient fabrication of thermoelectric devices. This review provides an overview of recent advances in discovering thermoelectric materials using high‐throughput methods, including processing, characterization, and screening. Advanced manufacturing methods of thermoelectric devices are also introduced to realize the broad impacts of thermoelectric materials in power generation and solid‐state cooling. In the end, this article also discusses the future research prospects and directions.

Song, Kaidong↗

DOE OSTI2020

Predicting synthesizable multi-functional edge reconstructions in two-dimensional transition metal dichalcogenides

Abstract Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have attracted tremendous interest as functional materials due to their exceptionally diverse and tunable properties, especially in their edges. In addition to the conventional armchair and zigzag edges common to hexagonal 2D materials, more complex edge reconstructions can be realized through careful control over the synthesis conditions. However, the whole family of synthesizable, reconstructed edges remains poorly studied. Here, we develop a computational approach integrating ensemble-generation, force-relaxation, and electronic-structure calculations to systematically and efficiently discover additional reconstructed edges and screen their functional properties. Using MoS 2 as a model system, we screened hundreds of edge-reconstruction to discover over 160 reconstructed edges to be more stable than the conventional ones. More excitingly, we discovered nine new synthesizable reconstructred edges with record thermodynamic stability, in addition to successfully reproducing three recently synthesized edges. We also find our predicted reconstructed edges to have multi-functional properties—they show near optimal hydrogen evolution activity over the conventional edges, ideal for catalyzing hydrogen-evolution reaction (HER) and also exhibit half-metallicity with a broad variation in magnetic moments, making them uniquely suitable for nanospintronic applications. Our work reveals the existence of a wide family of synthesizable, reconstructed edges in 2D TMDCs and opens a new materials-by-design paradigm of ‘intrinsic’ edge engineering multifunctionality in 2D materials.

Hu, Guoxiang (ORCID:0000000329428564)↗