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DOE OSTI2025

Topological Phenomena in Artificial Quantum Materials Revealed by Local Chern Markers

A striking example of frustration in physics is Hofstadter’s butterfly, a fractal structure that emerges from the competition between a crystal’s lattice periodicity and the magnetic length of an applied field. Current methods for predicting the topological invariants associated with Hofstadter’s butterfly are challenging or impossible to apply to a range of materials, including those that are disordered or lack a bulk spectral gap. Here, in this work, we demonstrate a framework for predicting a material’s local Chern markers using its position-space description and validate it against experimental observations of quantum transport in artificial graphene in a semiconductor heterostructure, inherently accounting for fabrication disorder strong enough to close the bulk spectral gap. By resolving local changes in the system’s topology, we reveal the topological origins of antidot-localized states that appear in artificial graphene in the presence of a magnetic field. Moreover, we show the breadth of this framework by simulating how Hofstadter’s butterfly emerges from an initially unpatterned 2D electron gas as the system’s potential strength is increased and predict that artificial graphene becomes a topological insulator at the critical magnetic field. Overall, we anticipate that a position-space approach to determine a material’s Chern invariant without requiring prior knowledge of its occupied states or bulk spectral gaps will enable a broad array of fundamental inquiries and provide a novel route to material discovery, especially in metallic, aperiodic, and disordered systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

A Mesorhizobium japonicum quorum sensing circuit that involves three linked genes and an unusual acyl-homoserine lactone signal

ABSTRACT Members of the genus Mesorhizobium, which are core components of the rhizosphere and specific symbionts of legume plants, possess genes for acyl-homoserine lactone (AHL) quorum sensing (QS). Here we show Mesorhizobium japonicum MAFF 303099 (formerly M. loti ) synthesizes and responds to N -[(2 E , 4 E )-2,4-dodecadienoyl] homoserine lactone (2 E, 4 E- C 12:2 -HSL). We show that the 2 E, 4 E- C 12:2 -HSL QS circuit involves one of four luxR-luxI -type genes found in the sequenced genome of MAFF 303099. We refer to this circuit, which appears to be conserved among Mesorhizobium species, as R1-I1. We show that two other Mesorhizobium strains also produce 2 E, 4 E- C 12:2 -HSL. The 2 E, 4 E- C 12:2 -HSL is unique among known AHLs in its arrangement of two trans double bonds. The R1 response to 2 E, 4 E- C 12:2 -HSL is extremely selective in comparison with other LuxR homologs, and the trans double bonds appear critical for R1 signal recognition. Most well-studied LuxI-like proteins use S -adenosylmethionine and an acyl-acyl carrier protein as substrates for synthesis of AHLs. Others that form a subgroup of LuxI-type proteins use acyl-coenzyme A substrates rather than acyl-acyl carrier proteins. I1 clusters with the acyl-coenzyme A-type AHL synthases. We show that a gene linked to the I1 AHL synthase is involved in the production of the QS signal. The discovery of the unique I1 product enforces the view that further study of acyl-coenzyme A-dependent LuxI homologs will expand our knowledge of AHL diversity. The involvement of an additional enzyme in AHL generation leads us to consider this system a three-component QS circuit. IMPORTANCE We report a Mesorhizobium japonicum quorum sensing (QS) system involving a novel acyl-homoserine lactone (AHL) signal. This system is known to be involved in root nodule symbiosis with host plants. The chemistry of the newly described QS signal indicated that there may be a dedicated cellular enzyme involved in its synthesis in addition to the types known for production of other AHLs. Indeed, we report that an additional gene is required for synthesis of the unique signal, and we propose that this is a three-component QS circuit as opposed to the canonical two-component AHL QS circuits. The signaling system is exquisitely selective. The selectivity may be important when this species resides in the complex microbial communities around host plants and may make this system useful in various synthetic biology applications of QS circuits.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1978

The lunar mare basalt suite

Recent studies have greatly expanded knowledge of lunar mare basalts. Since 1976 there has been a revision of the Apollo 12 low-Ti mare basalt suite and the discovery of a new very low-Ti (VLT: less than 1% TiO2) basalt suite at Apollo 17 and in the new Soviet samples from Mare Crisium (LUNA 24). Current studies suggest that the VLT basalts may be in some way related to the enigmatic 'green glasses' which are found in the soils from every lunar landing site. Telescopic studies of spectral reflectance and crater systematics show that basalts of varying Ti content were extruded throughout the history of mare volcanism. These new discoveries indicate that mare basalts can no longer be classified into the two simple groups of older high-Ti basalts and younger low-Ti basalts.

Papike, J. J.↗

NASA NTRS1987

Plants in space

Space may be, as some have called it, our last frontier. As such, it provides novel, even unique research opportunities. Plants are sure to figure significantly in these activities. The ability to manipulate the force of gravity from near zero to 1 g affords fresh opportunities to investigate gravity's physiological effects as well as a means of probing gravi- and phototropism, thigmo-morphogenesis, and other environmental effects in a state uncompromised by gravity. In this review we aim primarily to consider phenomenology, a goal that befits the state of our knowledge from space experiments. We intend to provide grist for future ground-based and space experiments and to reveal the potential for scientific discovery in this area.

long duration↗

NASA NTRS2011

Assessment of a 2016 Mission Concept: The Search for Trace Gases in the Atmosphere of Mars

The reported detection of methane in the atmosphere of Mars as well as its potentially large seasonal spatial variations challenge our understanding of both the sources and sinks of atmospheric trace gases. The presence of methane suggests ongoing exchange between the subsurface and the atmosphere of potentially biogenic trace gases, while the spatial and temporal variations cannot be accounted for with current knowledge of martian photochemistry. A Joint Instrument Definition Team (JIDT) was asked to assess concepts for a mission that might follow up on these discoveries within the framework of a series of joint missions being considered by ESA and NASA for possible future exploration of Mars. The following is based on the report of the JIDT to the space agencies (Zurek et al., 2009); a synopsis of the report was presented at the Workshop on Mars Methane held in Frascati, Italy, in November 2009. To summarize, the JIDT believed that a scientifically exciting and credible mission could be conducted within the evolving capabilities of the science/telecommunications orbiter being considered by ESA and NASA for possible launch in the 2016 opportunity for Mars.

Zurek, Richard W.↗

NASA NTRS2013

Learning by Viewing - Nobel Labs 360

First of all, my thanks to the Nobel Lindau Foundation for their inspiration and leadership in sharing the excitement of scientific discovery with the public and with future scientists! I have had the pleasure of participating twice in the Lindau meetings, and recently worked with the Nobel Labs 360 project to show how we are building the world's greatest telescope yet, the James Webb Space Telescope (JWST). For the future, I see the greatest challenges for all the sciences in continued public outreach and inspiration. Outreach, so the public knows why we are doing what we are doing, and what difference it makes for them today and in the long-term future. Who knows what our destiny may be? It could be glorious, or not, depending on how we all behave. Inspiration, so that the most creative and inquisitive minds can pursue the scientific and engineering discoveries that are at the heart of so much of human prosperity, health, and progress. And, of course, national and local security depend on those discoveries too; scientists have been working with "the government" throughout recorded history. For the Lindau Nobel experiment, we have a truly abundant supply of knowledge and excitement, through the interactions of young scientists with the Nobelists, and through the lectures and the video recordings we can now share with the whole world across the Internet. But the challenge is always to draw attention! With 7 billion inhabitants on Earth, trying to earn a living and have some fun, there are plenty of competing opportunities and demands on us all. So what will draw attention to our efforts at Lindau? These days, word of mouth has become word of (computer) mouse, and ideas propagate as viruses ( or memes) across the Internet according to the interests of the participants. So our challenge is to find and match those interests, so that the efforts of our scientists, photographers, moviemakers, and writers are rewarded by our public. The world changes every day, so there is no one way to go, and everything is an experiment - sounds scientific, yes? I think our partnership with Volker Steger in the Nobel Labs 360 is one of the most interesting I have seen. Computer viewers can see our scientific habitats and begin to experience being there in person, panning a viewpoint up, down, and all around us, and seeing or hearing explanations of what we are doing.

Mather, John C.↗

NASA NTRS2016

NASA's Space Launch System: Development and Progress

NASA is embarked on a new era of space exploration that will lead to new capabilities, new destinations, and new discoveries by both human and robotic explorers. Today, the International Space Station (ISS), supported by NASA's commercial partners, and robotic probes, are yielding knowledge that will help make this exploration possible. NASA is developing both the Orion crew vehicle and the Space Launch System (SLS) that will carry out a series of increasingly challenging missions that will eventually lead to human exploration of Mars. This paper will discuss the development and progress on the SLS. The SLS architecture was designed to be safe, affordable, and sustainable. The current configuration is the result of literally thousands of trade studies involving cost, performance, mission requirements, and other metrics. The initial configuration of SLS, designated Block 1, will launch a minimum of 70 metric tons (t) into low Earth orbit - significantly greater capability than any current launch vehicle. It is designed to evolve to a capability of 130 t through the use of upgraded main engines, advanced boosters, and a new upper stage. With more payload mass and volume capability than any rocket in history, SLS offers mission planners larger payloads, faster trip times, simpler design, shorter design cycles, and greater opportunity for mission success. Since the program was officially created in fall 2011, it has made significant progress toward first launch readiness of the Block 1 vehicle in 2018. Every major element of SLS continued to make significant progress in 2015. The Boosters element fired Qualification Motor 1 (QM-1) in March 2015, to test the 5-segment motor, including new insulation, joint, and propellant grain designs. The Stages element marked the completion of more than 70 major components of test article and flight core stage tanks. The Liquid Engines element conducted seven test firings of an RS-25 engine under SLS conditions. The Spacecraft/Payload Integration and Evolution element marked completion of the upper stage test article. Major work continues in 2016 as the program continues both flight and development RS-25 engine testing, begins welding test article and flight core stage tanks, completes stage adapter manufacturing, and test fires the second booster qualification motor. This paper will discuss the program's key accomplishments to date and the challenging work ahead for what will be the world's most capable launch vehicle.

Honeycutt, John↗

NASA NTRSDate not supplied

Open-Source Science-Driven Development of the Science Data System (SDS) for Earth System Observatory (ESO) Atmospheric Missions

The NASA Earth System Observatory (ESO) atmospheric missions will provide space-based and suborbital observations of collocated cloud, dynamic, precipitation and aerosol processing leading to improved weather, air quality, and climate predictions. The Science Data System (SDS) will deploy the adaptive processing system (APS) developed within the Cloud to manage the research and operational processing of ESO atmospheric mission orbital and suborbital sensors and curate these data for near real-time and collection reprocessing and transfer them to a NASA Distributed Active Archive Center (DAAC) for long-term storage and distribution. Further, the SDS will follow guidelines provided by NASA Earth Science Data Systems (ESDS) program including standard conventions for data file formats, naming, and metadata to improve data interoperability, interpretability, usability, discovery, provenance, and spatiotemporal representativeness. The SDS follows NASA’s commitment to Open-Source Science (OSS) including the sharing of data, software, and knowledge in an open and timely manner. Each of the SDS system components will be developed with open-source concepts including components of APS itself as well as ESO atmospheric mission algorithms. This presentation describes the framework of the SDS and its integral part in facilitating OSS within the ESO atmospheric missions.

David M. Giles↗

DOE OSTI2020

ARDD 2020: from aging mechanisms to interventions

Aging is emerging as a druggable target with growing interest from academia, industry and investors. New technologies such as artificial intelligence and advanced screening techniques, as well as a strong influence from the industry sector may lead to novel discoveries to treat age-related diseases. The present review summarizes presentations from the 7 th Annual Aging Research and Drug Discovery (ARDD) meeting, held online on the 1 st to 4 th of September 2020. The meeting covered topics related to new methodologies to study aging, knowledge about basic mechanisms of longevity, latest interventional strategies to target the aging process as well as discussions about the impact of aging research on society and economy. More than 2000 participants and 65 speakers joined the meeting and we already look forward to an even larger meeting next year. Please mark your calendars for the 8 th ARDD meeting that is scheduled for the 31 st of August to 3 rd of September, 2021, at Columbia University, USA.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

AI-Driven Data Discovery to Improve Earth System Predictability

Focal Area(s): (3) Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1995

Expanding our knowledge of the heliosphere

Milestones on our road to understanding the heliosphere between 1950 and 1988 are recalled. Among these are early studies of solar energetic particles suggesting a heliospheric boundary at 5 AU, the discovery of the solar wind and the sectored nature of the interplanetary magnetic field. Recent results, particularly from the Ulysses spacecraft, confirm the arrival of neutrals from interstellar space, the pick-up of singly charged ions by the solar wind and the acceleration of these ions to become anomalous cosmic rays. Two distinct solar wind regimes have been discovered. At low heliolatitudes a highly variable solar wind blows at an average speed around 450 km/s, while at high latitudes a relatively smooth 750 km/s flow is observed. No indicators of a dipole-like magnetic field have been seen by Ulysses in solar polar latitudes. The cosmic radiation increase with latitude is much smaller than predicted. The status of and plans for the Voyager 1 and 2, Pioneer 10 and 11, and Ulysses spacecraft are outlined.

Page, D. E.↗

NASA NTRS1973

Nonequilibrium distributions of molecular states in interstellar space

Current knowledge on the components of interstellar space and on interstellar dust clouds (which contain most of the molecules existing in interstellar space) is reviewed. The discovery of molecules by absorption of a microwave continuum or by emission from their own excited state is discussed in historical order, and the interpretation of their spectra is examined. The observed microwave resonances of interstellar molecules are tabulated. Another table shows the approximate column densities of molecules found in the directions of the Orion nebula and of Sagittarius. The various types of nonequilibrium encountered are demonstrated by examples.

Townes, C. H.↗

DOE OSTI2022

On the provenance of GEMS, a quarter century post discovery

The provenance of GEMS (glass with embedded metal and sulfides) in cometary type interplanetary dust particles is investigated using analytical scanning transmission electron microscopy and secondary ion mass spectrometry. We review the current state of knowledge and closely examine the densities, elemental compositions and distributions, iron oxidation states, and isotopic compositions of a subset of GEMS in chondritic porous interplanetary dust. We find that GEMS are underdense with estimated densities that are 35–65% of compositionally equivalent crystalline aggregates. GEMS low densities result in a lower contribution to the bulk compositions of IDPs than has been assumed based on their volume fraction. We also find that element/Si ratios, assumed to be primary (indigenous), are instead perturbed by contamination and secondary alteration, including pulse heating during atmospheric entry. Fe in pyrrhotite inclusions was oxidized and Mg, S, Ca, and Fe were depleted relative to lithophile Al and Si, resulting in reduction in element/Si ratios. Because they trap outgassing elements, Fe-rich oxide rims that formed on the surface of GEMS are serendipitous “witness plates” to the changes in composition that accompany atmospheric entry. As a result of alteration, GEMS elemental compositions cannot reliably inform about their provenance. Except for highly anomalous oxygen isotope ratios measured in some large GEMS grains that indicate a contribution from circumstellar dust, oxygen isotope compositions are generally poor indicators of provenance. Prior work indicates that most GEMS fall close to the terrestrial oxygen isotope composition, which, however, does not exclude a presolar interstellar origin. Nitrogen isotopic compositions are more diagnostic. Elevated 15 N/ 14 N ratios indicate that GEMS accreted in conjunction with formation of organic matter by ion–molecule reactions in a cold (<50 K) presolar environment like the extreme outer nebula or interstellar medium. Considering all observations, we conclude that GEMS are most likely processed interstellar silicates.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2018

NASA Pilot-Engaged Expert Response Using IBM Watson Technology: Prototype Evaluation of Knowledge Retrieval System

NASA Langley Research Center and IBM have been investigating the use of IBM Watson technology in aerospace research and development. One application of Watson technology is the Pilot-Engaged Expert Response (PEER) use case. The PEER system is envisioned as an in-cockpit advisor that will act as a source of situationally-relevant information for pilots and other flight crew members to assist in decision making about real-time events and situations that arise in the course of aircraft operations. PEER will make available vast stores of knowledge and information quickly and directly, putting important informational resources where they are needed most. IBM has worked with NASA to develop an architecture and articulate a roadmap for the development of the PEER system. That vision is built around Watson Discovery Advisor (WDA) software solution, derived from IBM's Jeopardy!-winning automatic question answering system. PEER makes use of WDA's sophisticated question-answering capabilities as its core, adding important User Interface components and other customizations for the cockpit environment, including communication with flight systems and other external data sources. The development plan for PEER includes four development stages, with the current project constituting the first phase. In this project, a prototype instance of PEER was successfully adapted to the aviation domain, enabling users to ask questions about aviation topics and receive useful and accurate answers to these questions. Major tasks accomplished include the development of procedures for domain adaptation through automatic lexicon extraction from domain glossaries; generation of question-answer training data which was used to train the system; and assessment of the effectiveness of domain adaptation, which showed a dramatic improvement in the ability of the PEER system to answer domain-relevant questions. In addition, the vision for the PEER system was pushed forward by the articulation of a plan for the automatic enhancement of question-answering with contextual information. This initial phase focused on two main goals: 1) the targeted domain adaptation of the underlying WDA system to the aviation domain; and, 2) the design of the software systems needed to leverage flight-contextual data. Domain adaptation of the WDA system proceeds via three main activities: Domain data ingestion, lexical customization and model training. A textual corpus consisting of 1,147 individual documents with more than 7.5 million words of text was ingested into the system and this served as the basis of all further development. A domain lexicon of over 3,500 aviation-domain terms was semi-automatically generated from domain documents and used to train the system. In addition, a set of over 500 question-answer (QA) pairs relevant to the PEER use case was developed; these were used to train and assess the system. These important first steps established the basis for the PEER system. In addition, steps were taken towards the integration of the PEER system into the cockpit environment with the development of a functional design for the Contextual Data Augmentation (CDA) subsystem. This subsystem brings to bear contextual data to improve system responses. It has three main submodules: the Contextual Data Collection module, the Contextual Data Selection module, and the Contextual QA Augmentation module. These modules form a processing pipeline that addresses the problems associated with automatically integrating information from external resources into the knowledge-retrieval mechanism.

Machine learning↗

DOE OSTI2023

Ab Initio Prediction of Ultra‐Wide Band Gap B x Al 1− x N Materials

Abstract Ultra‐wide bandgap (UWBG) materials are poised to play an important role in the future of power electronics. Devices made from UWBG materials are expected to operate at higher voltages, frequencies, and temperatures than current silicon and silicon‐carbide‐based devices and can even lead to significant miniaturization of such devices. In the UWBG field, aluminum nitride and boron nitride have attracted great interest; however, the B x Al 1− x N alloys are much less studied. In this work, using first‐principles simulations combining density‐functional theory and the cluster expansion method, the crystal structure of B x Al 1− x N alloys is predicted. Seventeen ground state structures of B x Al 1− x N with formation energies between 0.11 and 0.25 eV atom ‐1 are found. All of these structures are found to be dynamically stable. The B x Al 1− x N structures are found to have predominantly a tetrahedral bonding environment; however, some structures exhibit sp 2 bonds similar to hexagonal BN. This work expands knowledge of the structures, energies, and bonding in B x Al 1− x N which aids their synthesis, the innovation of lateral or vertical devices, and discovery of compatible dielectric and Ohmic contact materials.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Human Exploration and Development of Space: Strategic Plan

The five goals of the Human Exploration and Development of Space include: 1) Explore the Space Frontier; 2) Expand Scientific Knowledge; 3) Enable Humans to Live and Work Permanently in Space; 4) Enable the Commercial Development of Space; and 5) Share the Experience and Benefits of Discovery.

Branscome, Darrell↗

NASA NTRSDate not supplied

NASA R&M Efficiency through Findable, Accessible, Interoperable, and Reusable (FAIR) Digital Assets

At the intersection of mission, technology, and place is NASA’s need to modernize for a digital-forward future. Digitalization, the process of moving toward digital business, is occurring everywhere and remains an ongoing process across the federal government.”[1] Whereas, Digital Transformation is “employing digitization/digital technologies (e.g., Artificial Intelligence (AI), mobile, cloud, data) to change a process, product, or capability so dramatically (e.g., real-time, intelligent, personalized, anywhere, anytime) that it is unrecognizable compared to its traditional form.” [2] In order to facilitate a digital transformation it is essential for NASA to understand and identify where data exists today and which data are value-needed in the future, understand where there are unfulfilled data needs that limit the advancement of NASA work, and ensure NASA efficiency through Findable, Accessible, Interoperable, and Reusable (FAIR) digital assets in the future. Therefore, NASA’s Reliability & Maintainability (R&M) Enterprise Data Sharing team is working to leverage both Digitization and Digital Transformation to achieve their vision of developing an R&M data discovery framework that enables our community, our partners, and our stakeholders with the ability to efficiently, robustly, and seamlessly access information that enables real-time knowledge and model-based, analytics driven, decision-making impacting R&M. As a result the R&M Enterprise Data Sharing team has conducted a survey of its Reliability, Maintainability, and Availability (RMA) community members to identify data existence (created or used) and where there are corresponding barriers to data acquisition and/or R&M or other issues as shown within this presentation.

Digital Transformation↗

NASA NTRSDate not supplied

Trilateral Task Force – Reliability Analysis Supporting Mission Extension/Post Mission Disposal

Digital Transformation, Reliability Engineering↗