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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Quantum Information Science: Factual Document for the Office of Basic Energy Sciences at the Department of Energy

For decades, scientists have known that devices to store and manipulate information in quantum physical systems such as atoms or photons would provide radical new capabilities in computing, communication, and sensing. These novel capabilities include speed-ups in scientific calculations of quantum materials and chemical systems, enhanced resolution in imaging and detection systems, and greater security for encrypted communication systems. Building these devices requires a detailed understanding of how quantum materials behave, accurate knowledge of how to integrate them, and high-fidelity control of the physical qubits that store information. These goals are fundamental research challenges for materials synthesis, fabrication, and characterization; and the science of quantum information intersects heavily with ongoing basic research into materials science, chemistry, and quantum physics. These systems represent state-of-the-art approaches to building and controlling the basic physical elements of quantum information. Research into quantum sensing and quantum communication strongly leverages these advances for next-generation technologies, e.g., measurements beyond the Heisenberg limit, while applications of quantum computing (QC) as a platform for understanding future quantum material systems highlight its potential for advanced scientific discovery. This factual status document for Quantum Information Science has been developed for the Department of Energy Office of Science, Basic Energy Sciences (BES). The following are several seminal or key references for interested readers; the reference section gives a more exhaustive, but still not complete, list of important papers in this area.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reliable and Efficient Machine Learning (Final Technical Report)

Modern scientific experiments generate massive amounts of data at a pace much faster than humans can manually analyze. While machine learning has revolutionized commercial data analysis (such as recommending movies or recognizing faces), applying these tools to complex scientific discovery is challenging because scientific answers must be precise, interpretable, and adhere to physical laws. The research under this project aims to develop new mathematical tools and computer algorithms specifically designed for scientific applications. Major progress has been made in automatically cleaning and deconstructing messy experimental data, analyzing the visual information of physical phenomena, determining the underlying physical variables, and providing rig orous mathematical analysis of interesting algorithms and concepts widely used in machine learning. This project addressed the critical gap between our ability to generate massive scientific data and our ability to extract interpretable information from it. We established mathematical foundations for Scientific Machine Learning (SciML) aimed at effective data analytics and automated discovery. Our work focused on three core objectives: (1) developing reliable feature extraction methods for dynamic high-dimensional data, (2) establishing mathematical foundations for discovering dynamics via neural networks, and (3) creating rigorous optimization techniques for these models. Key outcomes come from two fronts. On the practical side, they include the development of algorithms that significantly enhance the extraction of signals from field data, as well as the capability to handle situations that exhibit smooth variations or physical stretching due to temperature changes. They also include the creation of an automated framework for discovering fundamental state variables from raw experimental data, demonstrating the ability to identify intrinsic physical dimensions without prior knowledge of the governing laws. On the theoretical front, the research results in theoretical advances in Optimal Transport, a widely used notion in SciML, specifically regarding functions with fixed-size nodal sets, provide sharp bounds relevant to uncertainty quantification. Meanwhile, the outcomes also include the establishment of convergence theories for nonlocal gradient descent methods, enabling robust optimization with noisy data in high-dimensional settings commonly encountered in scientific modeling. The project also helps creating opportunities to train the next generation of researchers, equipping them with the necessary technical skills for today’s workplace and preparing them for future advances.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2016

GeneLab for High Schools: Data Mining for the Next Generation

Modern biological sciences have become increasingly based on molecular biology and high-throughput molecular techniques, such as genomics, transcriptomics, and proteomics. NASA Scientists and the NASA Space Biology Program have aimed to examine the fundamental building blocks of life (RNA, DNA and protein) in order to understand the response of living organisms to space and aid in fundamental research discoveries on Earth. In an effort to enable NASA funded science to be available to everyone, NASA has collected the data from omics studies and curated them in a data system called GeneLab. Whilst most college-level interns, academics and other scientists have had some interaction with omics data sets and analysis tools, high school students often have not. Therefore, the Space Biology Program is implementing a new Summer Program for high-school students that aims to inspire the next generation of scientists to learn about and get involved in space research using GeneLabs Data System. The program consists of three main components core learning modules, focused on developing students knowledge on the Space Biology Program and Space Biology research, Genelab and the data system, and previous research conducted on model organisms in space; networking and team work, enabling students to interact with guest lecturers from local universities and their fellow peers, and also enabling them to visit local universities and genomics centers around the Bay area; and finally an independent learning project, whereby students will be required to form small groups, analyze a dataset on the Genelab platform, generate a hypothesis and develop a research plan to test their hypothesis. This program will not only help inspire high-school students to become involved in space-based research but will also help them develop key critical thinking and bioinformatics skills required for most college degrees and furthermore, will enable them to establish networks with their peers and connections with university Professors that may help them achieve their educational goals.

genelab↗
NASA NTRSDate not supplied

Terminal Tracking for the Lucy Trojan Asteroid Mission

The most recent NASA Discovery class mission to fly is the Lucy mission to the Trojan Asteroids of Jupiter. Launched in October of 2021, Lucy’s destination will be the unexplored Jupiter Trojan Asteroids that orbit the Sun at the stable L4 and L5 points ahead of, and behind Jupiter. This 12-yearmission will perform close flybys of 1 main belt asteroid, Donaldjohanson, and 7 Trojans asteroids: Eurybates and its satellite Queta, Polymele, Leucus, Orus, and the near equal mass Trojan binary pair, Patroclus andMenoetius. The large distance from earth for the encounters, the high relative velocities and sun incidence angles on approach,and the limited number of Earth observations of the Trojans,make the delivery knowledge highly uncertain. To reduce the delivery uncertainties and maximize science return, Lucy employs a Terminal Tracking System consisting of optical imaging, centroiding and state estimation of the Trojan asteroids on approach and through close approach. This paper presents the Lucy Terminal Tracking System implementation, a brief overview of the mission and the GN&C subsystem.

Philip G Good↗
NASA NTRSDate not supplied

Potential Discovery of Amphibole in Miller Range (MIL) 090292 via Raman Spectroscopy

Ungrouped carbonaceous chondrites have the potential to provide insights into processes on their parent bodies that may not be accessible through studying established groups. Miller Range (MIL) 090292 is an extensively aqueously altered ungrouped carbonaceous chondrite, which provides the potential to reveal new information about alteration processes on carbonaceous chondrite-like asteroids. The meteorite MIL090292 was initially classified as a CR1 chondrite. It experienced heavy aqueous alteration and, texturally, the meteorite is highly brecciated. MIL 090292 was reclassified as a C1 ungrouped chondrite after it was found that the Δ17O values of its magnetite grains do not plot along the CR mixing line. Furthermore, there is a lack of calcium carbonate grains in the sample, which are common in aqueously altered CRs –calcium is found in andradite and hedenbergite (which are not found in CRs) and phosphates. However, beyond this basic mineralogical information, there is a lack of knowledge about the petrogenetic history of the meteorite or its parent body.

Meteorite↗
DOE OSTI2024

Systematic identification of transcriptional activation domains from non-transcription factor proteins in plants and yeast

Transcription factors can promote gene expression through activation domains. Whole-genome screens have systematically mapped activation domains in transcription factors but not in non-transcription factor proteins (e.g., chromatin regulators and coactivators). To fill this knowledge gap, we employed the activation domain predictor PADDLE to analyze the proteomes of Arabidopsis thaliana and Saccharomyces cerevisiae. We screened 18,000 predicted activation domains from >800 non-transcription factor genes in both species, confirming that 89% of candidate proteins contain active fragments. Our work enables the annotation of hundreds of nuclear proteins as putative coactivators, many of which have never been ascribed any function in plants. Analysis of peptide sequence compositions reveals how the distribution of key amino acids dictates activity. Finally, we validated short, "universal" activation domains with comparable performance to state-of-the-art activation domains used for genome engineering. Our approach enables the genome-wide discovery and annotation of activation domains that can function across diverse eukaryotes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Earth BioGenome Project: Sequencing life for the future of life

Increasing our understanding of Earth’s biodiversity and responsibly stewarding its resources are among the most crucial scientific and social challenges of the new millennium. These challenges require fundamental new knowledge of the organization, evolution, functions, and interactions among millions of the planet’s organisms. Herein, we present a perspective on the Earth BioGenome Project (EBP), a moonshot for biology that aims to sequence, catalog, and characterize the genomes of all of Earth’s eukaryotic biodiversity over a period of 10 years. The outcomes of the EBP will inform a broad range of major issues facing humanity, such as the impact of climate change on biodiversity, the conservation of endangered species and ecosystems, and the preservation and enhancement of ecosystem services. We describe hurdles that the project faces, including data-sharing policies that ensure a permanent, freely available resource for future scientific discovery while respecting access and benefit sharing guidelines of the Nagoya Protocol. Here, we describe scientific and organizational challenges in executing such an ambitious project, and the structure proposed to achieve the project’s goals. The far-reaching potential benefits of creating an open digital repository of genomic information for life on Earth can be realized only by a coordinated international effort.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1989

Sensory conflict in motion sickness: An observer theory approach

Motion sickness is the general term describing a group of common nausea syndromes originally attributed to motion-induced cerebral ischemia, stimulation of abdominal organ afferent, or overstimulation of the vestibular organs of the inner ear. Sea-, car-, and airsicknesses are the most commonly experienced examples. However, the discovery of other variants such as Cinerama-, flight simulator-, spectacle-, and space sickness in which the physical motion of the head and body is normal or absent has led to a succession of sensory conflict theories which offer a more comprehensive etiologic perspective. Implicit in the conflict theory is the hypothesis that neutral and/or humoral signals originate in regions of the brain subversing spatial orientation, and that these signals somehow traverse to other centers mediating sickness symptoms. Unfortunately, the present understanding of the neurophysiological basis of motion sickness is far from complete. No sensory conflict neuron or process has yet been physiologically identified. To what extent can the existing theory be reconciled with current knowledge of the physiology and pharmacology of nausea and vomiting. The stimuli which causes sickness, synthesizes a contemporary Observer Theory view of the Sensory Conflict hypothesis are reviewed, and a revised model for the dynamic coupling between the putative conflict signals and nausea magnitude estimates is presented. The use of quantitative models for sensory conflict offers a possible new approach to improving the design of visual and motion systems for flight simulators and other virtual environment display systems.

Oman, Charles M.↗
NASA NTRS2008

Zero CTE Glass in the Hubble Space Telescope

Orbiting high above the turbulence of the Earth's atmosphere, the Hubble Space Telescope (HST) has provided breathtaking views of astronomical objects never before seen in such detail. The steady diffraction-limited images allow this medium-size telescope to reach faint galaxies fainter than 30th stellar magnitude. Some of these galaxies are seen as early as 2 billion years after the Big Bang in a 13.7 billion year old universe. Up until recently, astronomers assumed that all of the laws of physics and astronomy applied back then as they do today. Now, using the discovery that certain supernovae are "standard candles," astronomers have found that the universe is expanding faster today than it was back then: the universe is accelerating in its expansion. The Hubble Space Telescope is a two-mirror Ritchey-Chretien telescope of 2.4m aperture in low earth orbit. The mirrors are made of Ultra Low Expansion (ULE) glass by Corning Glass Works. This material allows rapid figuring and outstanding performance in space astronomy applications. The paper describes how the primary mirror was mis-figured in manufacturing and later corrected in orbit. Outstanding astronomical images taken over the last 17 years show how the application of this new technology has advanced our knowledge of the universe. Not only has the acceleration of the expansion been discovered, the excellent imaging capability of HST has allowed gravitational lensing to become a tool to study the distribution of dark matter and dark energy in distant clusters of galaxies. The HST has touched practically every field of astronomy enabling astronomers to solve many long-standing puzzles. It will be a long time until the end of the universe when the density is near zero and all of the stars have long since evaporated. It is remarkable that humankind has found the technology and developed the ability to interpret the measurements in order to understand this dramatic age we live in.

Wood, H. John↗
NASA NTRSDate not supplied

Cooperative Clustering Techniques For Space Network Scalability

Routing in the space internet must face many unique challenges - from unplanned disconnections and interruptions to predictable intermittent connectivity due to high network mobility and long propagation delays. NASA’s current approach to such routing is Contact Graph Routing (CGR), using a graph formed of prescheduled communication contacts to compute routes through the network. While this approach manages to tackle issues of connectivity and propagation delays, it is a global approach that requires continuous knowledge of the entire network. In a potential future Solar Space Internet (SSI) such an approach on its own cannot scale to large networks with thousands of members. In this paper we propose clustering as a solution to CGR scalability. Clustering has been used in many networking problems as a way to subdivide the network and allow for localized routing and better scalability. Using techniques from graph theory and game theory, we explore various existing clustering algorithms and adapt them to the Contact Graph Routing setting. We propose a way to combine multiple algorithms to create a Delay Tolerant Clustering Protocol (DTCP). In addition, we explore the underlying networking mechanisms such as multicast, neighbor discovery, and software defined networking that may be used to enable DTCP.

Delay Tolerant Networking↗
DOE OSTI2024

Enrichable consortia of microbial symbionts degrade macroalgal polysaccharides in Kyphosus fish

ABSTRACT Coastal herbivorous fishes consume macroalgae, which is then degraded by microbes along their digestive tract. However, there is scarce genomic information about the microbiota that perform this degradation. This study explores the potential of Kyphosus gastrointestinal microbial symbionts to collaboratively degrade and ferment polysaccharides from red, green, and brown macroalgae through in silico study of carbohydrate-active enzyme and sulfatase sequences. Recovery of metagenome-assembled genomes (MAGs) from previously described Kyphosus gut metagenomes and newly sequenced bioreactor enrichments reveals differences in enzymatic capabilities between the major microbial taxa in Kyphosus guts. The most versatile of the recovered MAGs were from the Bacteroidota phylum, whose MAGs house enzyme collections able to decompose a variety of algal polysaccharides. Unique enzymes and predicted degradative capacities of genomes from the Bacillota (genus Vallitalea ) and Verrucomicrobiota (order Kiritimatiellales ) highlight the importance of metabolic contributions from multiple phyla to broaden polysaccharide degradation capabilities. Few genomes contain the required enzymes to fully degrade any complex sulfated algal polysaccharide alone. The distribution of suitable enzymes between MAGs originating from different taxa, along with the widespread detection of signal peptides in candidate enzymes, is consistent with cooperative extracellular degradation of these carbohydrates. This study leverages genomic evidence to reveal an untapped diversity at the enzyme and strain level among Kyphosus symbionts and their contributions to macroalgae decomposition. Bioreactor enrichments provide a genomic foundation for degradative and fermentative processes central to translating the knowledge gained from this system to the aquaculture and bioenergy sectors. IMPORTANCE Seaweed has long been considered a promising source of sustainable biomass for bioenergy and aquaculture feed, but scalable industrial methods for decomposing terrestrial compounds can struggle to break down seaweed polysaccharides efficiently due to their unique sulfated structures. Fish of the genus Kyphosus feed on seaweed by leveraging gastrointestinal bacteria to degrade algal polysaccharides into simple sugars. This study reconstructs metagenome-assembled genomes for these gastrointestinal bacteria to enhance our understanding of herbivorous fish digestion and fermentation of algal sugars. Investigations at the gene level identify Kyphosus guts as an untapped source of seaweed-degrading enzymes ripe for further characterization. These discoveries set the stage for future work incorporating marine enzymes and microbial communities in the industrial degradation of algal polysaccharides.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Initial report from the ICFA Neutrino Panel

The discovery of neutrino oscillations implies that neutrinos have mass and that the flavour eigenstates mix. Non-zero neutrino masses require new physics beyond the Standard Model. Revealing the physics behind neutrino masses and mixing is among the highest priorities for particle physics in the twenty-first century. Measurements of the parameters that govern neutrino oscillations will have a profound impact on our understanding of particle physics, astrophysics and cosmology. Such a breadth of impact justifies a far-reaching experimental programme by which the properties of the neutrino that are presently unknown are determined, the three-neutrino-mixing picture is tested and the properties of the neutrino are measured with a precision sufficient to allow the physics that explains these properties to be understood. Accelerator-based neutrino-oscillation experiments are an essential component of this programme as they are the only way in which oscillations between all known flavours can be studied precisely. The accelerator-based neutrino-oscillation programme is international in both scope and engagement. The approved programme will improve our knowledge of the mixing angles and the mass-squared differences and may be able to determine the neutrino mass hierarchy. In the medium term, the Long-baseline Neutrino Experiment (LBNE) and the Tokai (J-PARC) to Hyper-Kamiokande experiment offer complementary approaches to searching for the violation of the matter-anti-matter symmetry in neutrino oscillations. For these experiments to realise their full potential coordinated programmes of hadro-production and neutrino-nucleus cross-section measurements are essential. A design study of an alternative wide-hand beam facility is underway: the Long-baseline Neutrino Observatory (LBNO) study will report by the end of 2014. New concepts such as the implementation of a neutrino beam on the European Spallation Source (ESSnuSB) and the use of muon decay-at-rest to search for the matter-anti-matter asymmetry (Daedalus) are also being studied. The Neutrino Factory, in which electron- and muon-neutrino beams are produced from the decay of muons confined within a storage ring, has been shown to offer the ultimate sensitivity and precision. The staged implementation of the facility has been studied. The attractive hrst stage, “nuSTORM”, has the potential to make detailed and precise studies of electron- and muon-neutrino-nucleus scattering and to make exquisitely sensitive searches for sterile neutrinos. A small number of measurements do not fit the elegant three-neutrino-mixing model. These measurements can be interpreted as evidence for new “sterile neutrino” states. If confirmed, these measurements will revolutionise the held. An experimental programme is underway to investigate these anomalies. It is important that these anomalies are addressed. Short-baseline contributions to this programme should have clear synergy with the long-baseline programme. This report presents the conclusions drawn by the Panel from three regional “Town Meetings” that took place between November 2013 and February 2014. The Panel recognises that to maximise the discovery potential of the accelerator-based neutrino-oscillation programme it will be essential to exploit the infrastructures that exist at CERN, FNAL and J-PARC and the expertise and resources that reside in laboratories and institutes around the world.

Cao, J.↗
DOE OSTI2021

Genome-Wide Transcription Factor DNA Binding Sites and Gene Regulatory Networks in Clostridium thermocellum

Clostridium thermocellum is a thermophilic bacterium recognized for its natural ability to effectively deconstruct cellulosic biomass. While there is a large body of studies on the genetic engineering of this bacterium and its physiology to-date, there is limited knowledge in the transcriptional regulation in this organism and thermophilic bacteria in general. The study herein is the first report of a large-scale application of DNA-affinity purification sequencing (DAP-seq) to transcription factors (TFs) from a bacterium. We applied DAP-seq to > 90 TFs in C. thermocellum and detected genome-wide binding sites for 11 of them. We then compiled and aligned DNA binding sequences from these TFs to deduce the primary DNA-binding sequence motifs for each TF. These binding motifs are further validated with electrophoretic mobility shift assay (EMSA) and are used to identify individual TFs’ regulatory targets in C. thermocellum . Our results led to the discovery of novel, uncharacterized TFs as well as homologues of previously studied TFs including RexA-, LexA-, and LacI-type TFs. We then used these data to reconstruct gene regulatory networks for the 11 TFs individually, which resulted in a global network encompassing the TFs with some interconnections. As gene regulation governs and constrains how bacteria behave, our findings shed light on the roles of TFs delineated by their regulons, and potentially provides a means to enable rational, advanced genetic engineering of C. thermocellum and other organisms alike toward a desired phenotype.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Genome-wide Transcription Factor DNA Binding Sites and Gene Regulatory Networks in Clostridium thermocellum

Clostridium thermocellum is a thermophilic bacterium recognized for its natural ability to effectively deconstruct cellulosic biomass. While there is a large body of studies on the genetic engineering of this bacterium and its physiology to-date, there is limited knowledge in the transcriptional regulation in this organism and thermophilic bacteria in general. The study herein is the first report of a high-throughput application of DNA-affinity purification sequencing (DAP-seq) to transcription factors (TFs) from a thermophile. We applied DAP-seq to >90 TFs in C. thermocellum and detected genome-wide binding sites for 11 of them. We then compiled and aligned DNA binding sequences from these TFs to deduce the primary DNA-binding sequence motifs for each TF. These binding motifs are further validated with electrophoretic mobility shift assay (EMSA) and are used to identify individual TFs’ regulatory targets in C. thermocellum. Our results led to the discovery of novel, uncharacterized TFs as well as homologues of previously studied TFs including RexA-, LexA- and LacI-type TFs. We then used these data to reconstruct gene regulatory networks for the 11 TFs individually, which resulted in a global network encompassing the TFs with some interconnections. As gene regulation governs and constrains how bacteria behave, our findings shed light on the roles of TFs delineated by their regulons, and potentially provides a means to enable rational, advanced genetic engineering of C. thermocellum and other organisms alike towards a desired phenotype.

09 BIOMASS FUELS↗
DOE OSTI2025

VISION: a modular AI assistant for natural human-instrument interaction at scientific user facilities

Scientific user facilities, such as synchrotron beamlines, are equipped with a wide array of hardware and software tools that require a codebase for human-computer-interaction. This often necessitates developers to be involved to establish connection between users/researchers and the complex instrumentation. The advent of generative AI presents an opportunity to bridge this knowledge gap, enabling seamless communication and efficient experimental workflows. Here we present a modular architecture for the Virtual Scientific Companion by assembling multiple AI-enabled cognitive blocks that each scaffolds large language models (LLMs) for a specialized task. With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an x-ray scattering beamline. The modular and scalable architecture allows for easy adaptation to new instruments and capabilities. Development on natural language-based scientific experimentation is a building block for an impending future where a science exocortex—a synthetic extension to the cognition of scientists—may radically transform scientific practice and discovery.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Discovering Research Areas in Dataset Applications Through Knowledge Graphs and Large Language Models

Scientific datasets are increasingly cited in peer-reviewed journal publications, facilitating easy access to research utilizing those datasets. Datasets undergo a life cycle where older versions of datasets are replaced by newer versions often due to improvements in data resolution, algorithms, and other factors. Unlike peer reviewed documents registered with a single Digital Unique Identifier (DOI), datasets can be updated over time and the newer version of the datasets are registered with a new DOI which is not necessarily linked to the previous version of the dataset. It is challenging when publications citing a dataset need to be traced over the entire life cycle of that dataset. We provide an innovative approach to link the dataset versions and publications using a knowledge graph (KG). KG can help to trace the dataset cited in publications over the entire dataset life cycle and shed light into dataset usage in various applied research areas. We fine-tuned the pretrained NASA IMPACTINDUS Large Language Model (LLM) on a set of labeled publications abstracts. Our results showed that 87% of the publications were classified into one of twenty applied research areas, while the remaining 13% were classified into non-applied research areas. By linking datasets to applied research areas through the KG and employing Global Change Master Directory(GCMD), a well-established controlled vocabulary of scientific keywords describing Earth science datasets, we contribute to a transparent and advanced search and discovery mechanism for datasets across the Earth data ecosystem. The integrated KG and LLM approach is now incorporated and operational in dataset publication management at one of NASA’s Earth science data archival centers.

data provenance↗
DOE OSTI2015

Modified Einstein's gravity as a possible missing link between sub- and super-Chandrasekhar type Ia supernovae

We explore the effect of modification to Einstein's gravity in white dwarfs for the first time in the literature, to the best of our knowledge. This leads to significantly sub- and super-Chandrasekhar limiting masses of white dwarfs, determined by a single model parameter. On the other hand, type Ia supernovae (SNeIa), a key to unravel the evolutionary history of the universe, are believed to be triggered in white dwarfs having mass close to the Chandrasekhar limit. However, observations of several peculiar, under- and over-luminous SNeIa argue for exploding masses widely different from this limit. We argue that explosions of the modified gravity induced sub- and super-Chandrasekhar limiting mass white dwarfs result in under- and over-luminous SNeIa respectively, thus unifying these two apparently disjoint sub-classes and, hence, serving as a missing link. Our discovery raises two fundamental questions. Is the Chandrasekhar limit unique? Is Einstein's gravity the ultimate theory for understanding astronomical phenomena? Both the answers appear to be no!.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Magnetic molecular orbitals in MnSi

A large body of knowledge about magnetism is attained from models of interacting spins, which usually reside on magnetic ions. Proposals beyond the ionic picture are uncommon and seldom verified by direct observations in conjunction with microscopic theory. Here, using inelastic neutron scattering to study the itinerant near-ferromagnet MnSi, we find that the system’s fundamental magnetic units are interconnected, extended molecular orbitals consisting of three Mn atoms each rather than individual Mn atoms. This result is further corroborated by magnetic Wannier orbitals obtained by ab initio calculations. It contrasts the ionic picture with a concrete example and presents an unexplored regime of the spin waves where the wavelength is comparable to the spatial extent of the molecular orbitals. Our discovery brings important insights into not only the magnetism of MnSi but also a broad range of magnetic quantum materials where structural symmetry, electron itinerancy, and correlations act in concert.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗