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DOE OSTI2021

Autonomous experimentation systems for materials development: A community perspective

Solutions to many of the world's problems depend upon materials research and development. However, advanced materials can take decades to discover and decades more to fully deploy. Humans and robots have begun to partner to advance science and technology orders of magnitude faster than humans do today through the development and exploitation of closed-loop, autonomous experimentation systems. This review discusses the specific challenges and opportunities related to materials discovery and development that will emerge from this new paradigm. Our perspective incorporates input from stakeholders in academia, industry, government laboratories, and funding agencies. We outline the current status, barriers, and needed investments, culminating with a vision for the path forward. We intend the article to spark interest in this emerging research area and to motivate potential practitioners by illustrating early successes. We also aspire to encourage a creative reimagining of the next generation of materials science infrastructure. To this end, we frame future investments in materials science and technology, hardware and software infrastructure, artificial intelligence and autonomy methods, and critical workforce development for autonomous research.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Nanoscale Magnetic Domains in Polycrystalline Mn 3 Sn Films Imaged by a Scanning Single-Spin Magnetometer

Noncollinear antiferromagnets with novel magnetic orders, vanishingly small net magnetization, and exotic spin related properties hold enormous promise for developing next-generation, transformative spintronic applications. A major ongoing research focus of this community is to explore, control, and harness unconventional magnetic phases of this emergent material system to deliver state-of-the-art functionalities for modern microelectronics. Here we report direct imaging of magnetic domains of polycrystalline Mn 3 Sn films, a prototypical noncollinear antiferromagnet, using nitrogen-vacancy-based single-spin scanning microscopy. Nanoscale evolution of local stray field patterns of Mn 3 Sn samples are systematically investigated in response to external driving forces, revealing the characteristic “heterogeneous” magnetic switching behaviors in polycrystalline textured Mn 3 Sn films. Furthermore, our results contribute to a comprehensive understanding of inhomogeneous magnetic orders of noncollinear antiferromagnets, highlighting the potential of nitrogen-vacancy centers to study microscopic spin properties of a broad range of emergent condensed matter systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

Evolution of Mass Spectrometers for High m / z Biological Ion Formation, Transmission, Analysis and Detection: A Personal Perspective

Mass spectrometry (MS) has become an essential tool in virtually all academic, pharmaceutical, and biopharmaceutical analytical laboratories. The specialized and bespoke area of MS research and application of high m / z ion (> m / z 6000 and high mass, >150 kDa) formation, transmission, analysis, and detection is a relatively new area of focus for MS that has seen dramatic acceleration in interest over the last two decades. Herein we delve into this exciting aspect of MS, discussing how MS instrumentation has been refined and evolved for native-MS analysis. We cover the early groundbreaking experiments showing high m / z ion formation, transmission, and preservation of protein structure in the gas phase. Additionally, we discuss specific instrument optimizations and modifications that have advanced high m / z ion generation, transmission, analysis, and detection, contributing to the research area known as gas-phase structural biology. Native-MS sample introduction methods, emerging technologies, and future perspectives are also examined. Finally, we share personal opinions, observations, and experiences that are new to the community or previously unpublished.

collisions↗

DOE OSTI2022

Universality of Dicke superradiance in arrays of quantum emitters

Abstract Dicke superradiance is an example of emergence of macroscopic quantum coherence via correlated dissipation. Starting from an initially incoherent state, a collection of excited atoms synchronizes as they decay, generating a macroscopic dipole moment and emitting a short and intense pulse of light. While well understood in cavities, superradiance remains an open problem in extended systems due to the exponential growth of complexity with atom number. Here we show that Dicke superradiance is a universal phenomenon in ordered arrays. We present a theoretical framework – which circumvents the exponential complexity of the problem – that allows us to predict the critical distance beyond which Dicke superradiance disappears. This critical distance is highly dependent on the dimensionality and atom number. Our predictions can be tested in state of the art experiments with arrays of neutral atoms, molecules, and solid-state emitters and pave the way towards understanding the role of many-body decay in quantum simulation, metrology, and lasing.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2026

Enhancing Coherence Limits in Superconducting Quantum Systems for Computing and Sensing

This talk will highlight recent efforts at the SQMS Center to develop qudit-based quantum computing architectures using superconducting three-dimensional (3D) cavities, as well as the use of these ultra-coherent cavities for quantum sensing. I will present systematic studies of materials and devices aimed at identifying and mitigating the dominant sources of decoherence—including two-level systems (TLS), quasiparticles, and other noise mechanisms—in both transmons and 3D cavities. These investigations include microwave loss characterization of niobium, tantalum, aluminum, their native oxides, and substrate materials such as silicon and sapphire. By combining measurements on qubits and cavities, we disentangle subsystem-specific loss mechanisms and establish a hierarchy of mitigation strategies, leading to transmon coherence times exceeding one millisecond. I will also discuss studies of quasiparticle dynamics, including quasiparticle bursts observed in qubits operated both above ground and at the Gran Sasso underground laboratory, and the observation that applied magnetic fields can suppress temporal T₁ fluctuations. Building on these advances, we demonstrate a record-coherence two-cell cavity-qudit system with coherence times exceeding 20 milliseconds. Leveraging tunable sideband interactions together with error-resilient protocols, including measurement-based error correction and post-selection, we achieve high-fidelity quantum state control, including the preparation of Fock states up to N=20 with fidelities above 95% and the generation of high-fidelity two-mode entangled states. Finally, I will discuss how these ultra-coherent quantum systems are enabling emerging quantum sensing applications, including searches for dark matter and gravitational waves.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗

DOE OSTI2021

Preparation of Smart Materials by Additive Manufacturing Technologies: A Review

Over the last few decades, advanced manufacturing and additive printing technologies have made incredible inroads into the fields of engineering, transportation, and healthcare. Among additive manufacturing technologies, 3D printing is gradually emerging as a powerful technique owing to a combination of attractive features, such as fast prototyping, fabrication of complex designs/structures, minimization of waste generation, and easy mass customization. Of late, 4D printing has also been initiated, which is the sophisticated version of the 3D printing. It has an extra advantageous feature: retaining shape memory and being able to provide instructions to the printed parts on how to move or adapt under some environmental conditions, such as, water, wind, light, temperature, or other environmental stimuli. This advanced printing utilizes the response of smart manufactured materials, which offer the capability of changing shapes postproduction over application of any forms of energy. The potential application of 4D printing in the biomedical field is huge. Here, the technology could be applied to tissue engineering, medicine, and configuration of smart biomedical devices. Various characteristics of next generation additive printings, namely 3D and 4D printings, and their use in enhancing the manufacturing domain, their development, and some of the applications have been discussed. Special materials with piezoelectric properties and shape-changing characteristics have also been discussed in comparison with conventional material options for additive printing.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Hybrid Entanglement between Optical Discrete Polarizations and Continuous Quadrature Variables

By coherently combining advantages while largely avoiding limitations of two mainstream platforms, optical hybrid entanglement involving both discrete and continuous variables has recently garnered widespread attention and emerged as a promising idea for building heterogenous quantum networks. In contrast to previous results, here we propose a new scheme to remotely generate hybrid entanglement between discrete polarization and continuous quadrature optical qubits heralded by two-photon Bell-state measurement. As a novel nonclassical light resource, we further use it to discuss two examples of ways—entanglement swapping and quantum teleportation—in which quantum information processing and communications could make use of this hybrid technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1986

Experiments on annular liquid jet instability and on the formation of liquid shells

An annular jet flow of liquid surrounding a flow of gas at its core is extremely unstable. Experiments are described in which such a flow is generated by an annular nozzle operated at fairly specific conditions. It is shown that periodic, axisymmetric oscillations arise spontaneously within the cylindrical sheet emerging from the nozzle and grow with such rapidity along the axial dimension that a sealing-off and encapsulation of the core gas occurs within a few jet diameters. This is closely followed by a pinchoff of the liquid between adjacent bubbles. The liquid shells set free thereby assume spherically symmetric form under capillary forces, and each contains a precisely uniform measure of gas and of liquid on account of the extremely high frequency-stability of the process. Description is given of the fluid dynamic processes by which the shells are formed, and mention is made of exploiting the instability for the production of rigid shells for technological applications.

Kendall, J. M.↗

NASA NTRS1986

Eddy processes in the general circulation of the Jovian atmospheres

Two fundamentally different views of the general circulation of Jovian atmospheres have emerged. According to one view, the observed jet streams at the cloud tops are controlled by the vorticity transfers of small scale eddies generated by planetary wave instabilities within a shallow atmospheric layer. According to the alternate point of view, the zonal jets are surface manifestations of deep interior convection organized into cylindrical motion with axes parallel to the planetary rotation axis. Both approaches may be considered in the context of the very different roles assumed by the potential vorticity. A possible reconciliation of the two kinds of dynamical systems is considered in which the interior motion is overlaid with a statically stable cappling layer driven by turbulent energy injection from below. A simple model for the eddy driving of quasi-geostrophic dynamics in the capping layer is presented which is consistent with the tentative evidence for up-gradient momentum flux on Jupiter and IRIS observations of thermal contrast correlations with cyclonic and anticyclonic shear zones. Certain synoptic-scale cloud features in Jupiter's atmosphere are interpreted as breaking waves, which may also influence the lateral mixing of tracers such as the ortho-para hydrogen ratio.

Leovy, Conway↗

NASA NTRS2007

Using High Frequency Passive Microwave, A-train, and TRMM Data to Evaluate Hydrometer Structure in the NASA GEOS-5 Data Assimilation System

Validating water vapor and prognostic condensate in global models remains a challenging research task. Model parameterizations are still subject to a large number of tunable parameters; furthermore, accurate and representative in situ observations are very sparse, and satellite observations historically have significant quantitative uncertainties. Progress on improving cloud / hydrometeor fields in models stands to benefit greatly from the growing inventory ofA-Train data sets. ill the present study we are using a variety of complementary satellite retrievals of hydrometeors to examine condensate produced by the emerging NASA Modem Era Retrospective Analysis for Research and Applications, MERRA, and its associated atmospheric general circulation model GEOS5. Cloud and precipitation are generated by both grid-scale prognostic equations and by the Relaxed Arakawa-Schubert (RAS) diagnostic convective parameterization. The high frequency channels (89 to 183.3 GHz) from AMSU-B and MRS on NOAA polar orbiting satellites are being used to evaluate the climatology and variability of precipitating ice from tropical convective anvils. Vertical hydrometeor structure from the Tropical Rainfall Measuring Mission (TRMM) and CloudSat radars are used to develop statistics on vertical hydrometeor structure in order to better interpret the extensive high frequency passive microwave climatology. Cloud liquid and ice water path data retrieved from the Moderate Resolution Imaging Spectroradiometer, MODIS, are used to investigate relationships between upper level cloudiness and tropical deep convective anvils. Together these data are used to evaluate cloud / ice water path, gross aspects of vertical hydrometeor structure, and the relationship between cloud extent and surface precipitation that the MERRA reanalysis must capture.

Robertson, Franklin↗

NASA NTRS2016

Ka-band Technologies for Small Spacecraft Communications via Relays and Direct Data Downlink

As the scientific capabilities and number of small spacecraft missions in the near Earth region increase, standard yet configurable user spacecraft terminals operating in Ka-band are needed to lower mission cost and risk and enable significantly higher data return than current UHF or S-band terminals. These compact Ka-band terminals are intended to operate with both the current and next generation of Ka-band relay satellites and via direct data communications with near Earth tracking terminals. This presentation provides an overview of emerging NASA-sponsored and commercially provided technologies in software defined radios (SDRs), transceivers, and electronically steered antennas that will enable data rates from hundreds of kbps to over 1 Gbps and operate in multiple frequency bands (such as S- and X-bands) and expand the use of NASA's common Ka-bands frequencies: 22.55-23.15 GHz for forward data or uplink; and 25.5-27.0 GHz for return data or downlink. Reductions in mass, power and volume come from integration of multiple radio functions, operations in Ka-band, high efficiency amplifiers and receivers, and compact, flat and vibration free electronically steered narrow beam antennas for up to + 60 degrees field of regard. The software defined near Earth space transceiver (SD-NEST) described in the presentation is intended to be compliant with NASA's space telecommunications radio system (STRS) standard for communications waveforms and hardware interoperability.

Extremely High Frequency↗

NASA NTRS2017

Unmanned Aircraft Systems (UAS) Integration in the National Airspace System (NAS) Project KDP-C Review

The topics discussed are the UAS-NAS project life-cycle and ARMD thrust flow down, as well as the UAS environments and how we operate in those environments. NASA's Armstrong Flight Research Center at Edwards, CA, is leading a project designed to help integrate unmanned air vehicles into the world around us. The Unmanned Aircraft Systems Integration in the National Airspace System project, or UAS in the NAS, will contribute capabilities designed to reduce technical barriers related to safety and operational challenges associated with enabling routine UAS access to the NAS. The project falls under the Integrated Systems Research Program office managed at NASA Headquarters by the agency's Aeronautics Research Mission Directorate. NASA's four aeronautics research centers - Armstrong, Ames Research Center, Langley Research Center, and Glenn Research Center - are part of the technology development project. With the use and diversity of unmanned aircraft growing rapidly, new uses for these vehicles are constantly being considered. Unmanned aircraft promise new ways of increasing efficiency, reducing costs, enhancing safety and saving lives 460265main_ED10-0132-16_full.jpg Unmanned aircraft systems such as NASA's Global Hawks (above) and Predator B named Ikhana (below), along with numerous other unmanned aircraft systems large and small, are the prime focus of the UAS in the NAS effort to integrate them into the national airspace. Credits: NASA Photos 710580main_ED07-0243-37_full.jpg The UAS in the NAS project envisions performance-based routine access to all segments of the national airspace for all unmanned aircraft system classes, once all safety-related and technical barriers are overcome. The project will provide critical data to such key stakeholders and customers as the Federal Aviation Administration and RTCA Special Committee 203 (formerly the Radio Technical Commission for Aeronautics) by conducting integrated, relevant system-level tests to adequately address safety and operational challenges of national airspace access by unmanned aircraft systems, or UAS. In the process, the project will work with other key stakeholders to define necessary deliverables and products to help enable such access. Within the project, NASA is focusing on five sub-projects. These five focus areas include assurance of safe separation of unmanned aircraft from manned aircraft when flying in the national airspace; safety-critical command and control systems and radio frequencies to enable safe operation of UAS; human factors issues for ground control stations; airworthiness certification standards for UAS avionics and integrated tests and evaluation designed to determine the viability of emerging UAS technology. Five Focus Areas of the UAS Integration in the NAS Project Separation Assurance Provide an assessment of how planned Next Generation Air Transportation System (NextGen) separation assurance systems, with different functional allocations, perform for UAS in mixed operations with manned aircraft Assess the applicability to UAS and the performance of NASA NextGen separation assurance systems in flight tests with realistic latencies and uncertain trajectories Assess functional allocations ranging from today's ground-based, controller-provided aircraft separation to fully autonomous airborne self-separation Communications Develop data and rationale to obtain appropriate frequency spectrum allocations to enable safe and efficient operation of UAS in the NAS Develop and validate candidate secure safety-critical command and control system/subsystem test equipment for UAS that complies with UAS international/national frequency regulations, standards and recommended practices and minimum operational and aviation system performance standards for UAS Perform analysis to support recommendations for integration of safety-critical command and control systems and air traffic control communications to ensure safe and efficient operation of UAS in the NAS Human Systems Integration Develop a research test bed and database to provide data and proof of concept for GCS - ground control station - operations in the NAS Coordinate with standards organizations to develop human-factors guidelines for GCS operation in the NAS Certification Define a UAS classification scheme and approach to determining Federal Aviation Regulation airworthiness requirements applicable to all UAS digital avionics Provide hazard and risk-related data to support development of type design criteria and best development practices Integrated Tests and Evaluation Integrate and test mature concepts from technical elements to demonstrate and test viability Evaluate the performance of technology development in a relevant environment (full-mission, human-in-the-loop simulations and flight tests)

outreach↗

NASA NTRS2022

Plasma Activated Water for Crewed Transit and Planetary Habitation: A Study of Gas Type, Electrode Material, and Power Supply Selection and the Impact on the Final Frontier - FY21 CIF

An in-depth study of plasma activated water (PAW) generation was conducted to link changes in power supply, electrode material, input gas, and treatment time to the resulting reaction chemistry. These changes in chemistry can help tailor PAW for different space applications. An AC, DC, and nanosecond (ns) pulsed power supply were each used to generate PAW with stainless steel, copper, tungsten, or platinum (Pt) electrodes while utilizing air, nitrogen (N2), carbon dioxide (CO2), helium (He), or argon (Ar) as the feed gas. Tap or deionized (DI) water was treated for 1 to 15 minutes, and the generated PAW was tested for changes in pH, conductivity, oxidation reduction potential, nitrates (NO3-), ammonium (NH4+), and peroxide. Calculations showed that the production of reactive nitrogen species was the leading cause of pH and conductivity changes. The DC generated air plasma was able to reduce the pH of DI water and generate NO3‑. The pulsed supply, operating at 20% of the input power of the DC supply, lowered the pH generated NO3‑. When a simulated Martian gas mixture of 95% CO2 and 5% N2 was used as the feed gas, NO3‑ was generated with the DC and pulsed supplies, respectively. Mixing PAW with plasma generated ash from inedible biomass allowed pH control, thus enhancing PAW’s potential use for sanitation applications. The large shift in pH was used to study sanitation effects of Escherichia coli (E. coli) reduction and Staphylococcus aureus (S. aureus), in which log reductions were found to be negligible. Additionally, the plasma generated ash in combination with PAW was also implemented in 10-day microgreen growth trials, in which PAW and ash resulted in quicker emergence of the microgreens compared to the standard growth conditions and comparable dry masses to Hoagland’s nutrient solution treated samples.

plasma activated water (PAW)↗

DOE OSTI2025

Elucidating the Morphological Instability Mechanisms During Electrodeposition of Active Metals

The primary aim of this investigation is to elucidate the mechanisms by which a group of metals pertinent to battery technology exhibit unstable growth morphology during electrodeposition, which are crucial for the operational efficacy of batteries. The metals under consideration include alkali metals alongside zinc, all of which are characterized by high atomic mobility and reactivity with the electrolytes employed in battery systems. These materials represent promising electrode candidates for next-generation rechargeable batteries that are anticipated to deliver significantly enhanced energy density at a reduced cost. Nevertheless, the widespread occurrence of distinctly non-uniform morphologies, exemplified by the emergence of filamentous and moss-like structures, constitutes a significant impediment to their effective utilization, as it leads to accelerated capacity degradation and potential internal short circuits. This study addresses a critical question that has thus far garnered limited attention: Does the residual stress induced by the plating process play an instrumental role in inducing the morphological instability? Utilizing zinc as the primary model system, this project will be executed through three interconnected tasks: (1) the quantification of the relationship between plating stress and electroplating morphologies, (2) the three-dimensional imaging of the microstructure of the mossy structure at the nanoscale, and (3) the development of a mesoscale electroplating model to interpret empirical findings and generate additional predictive insights.

25 ENERGY STORAGE↗

DOE OSTI2021

Programmable interactions and emergent geometry in an array of atom clouds

Interactions govern the flow of information and the formation of correlations between constituents of many-body quantum systems, dictating phases of matter found in nature and forms of entanglement generated in the laboratory. Typical interactions decay with distance and thus produce a network of connectivity governed by geometry—such as the crystalline structure of a material or the trapping sites of atoms in a quantum simulator. However, many envisioned applications in quantum simulation and computation require more complex coupling graphs including non-local interactions, which feature in models of information scrambling in black hole, and mappings of hard optimization problems onto frustrated classical magnets. Here we describe the realization of programmable non-local interactions in an array of atomic ensembles within an optical cavity, in which photons carry information between atomic spins. By programming the distance dependence of the interactions, we access effective geometries for which the dimensionality, topology and metric are entirely distinct from the physical geometry of the array. As examples, we engineer an antiferromagnetic triangular ladder, a Möbius strip with sign-changing interactions and a treelike geometry inspired by concepts of quantum gravity. The tree graph constitutes a toy model of holographic duality, in which the quantum system lies on the boundary of a higher-dimensional geometry that emerges from measured correlations. Overall, our work provides broader prospects for simulating frustrated magnets and topological phases, investigating quantum optimization paradigms and engineering entangled resource states for sensing and computation.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Modeling Distributed Generation in California

In support of analysis for the biennial Integrated Energy Policy Report, the California Energy Commission and the National Renewable Energy Laboratory have partnered to study the growth of distributed energy resources in California. This study involves the use of National Renewable Energy Laboratory's Distributed Generation Market Demand model, available at https://www.nrel.gov/analysis/dgen/, to project statewide adoption of distributed photovoltaics and paired storage. Key outcomes of the collaboration include: • Improved representation of California building stock, load profiles, historical adoption, and tariffs, including the net billing tariff, in the dGen model; • Trained CEC staff members to use and adapt the dGen model for their specific needs; • Developed a methodology for representing emerging consumer segments to potentially adopt distributed energy resources, including low-income, multifamily, and renter-occupied buildings; • Forecasted solar photovoltaic and paired storage growth in California using a common set of modeling parameters. This report describes the multiyear effort, which includes a discussion of: • Methodology and data employed in adapting the Distributed Generation Market Demand model for California to forecast solar photovoltaic and storage statewide through 2040; • Steps taken to modify the base model to forecast solar photovoltaic adoption in emerging market segments such as multifamily or renter-occupied homes or both; • Future enhancements of the model.

14 SOLAR ENERGY↗

DOE OSTI2026

Microbial spies and bloggers: programming cells to convert environmental information into discernible signals

Microbes regulate their dynamic behaviors using the chemical and physical characteristics of their environment. The ability of microbes to continuously convert this physicochemical information into biochemical information and to use organic matter in the environment as a power source makes these organisms attractive as chassis for building sensors. However, most biosensors have severe limitations when considering applications in hard-to-image settings like soils, sediments, and wastewater. Emerging technologies at the interface of biomolecular design, microbiome engineering, and synthetic biology offer new tools to program cells and communities as biosensors for these settings. Here, in this review, we describe innovations in biosensor outputs that are enabling new applications in complex environments, including reporters that are read out using electrochemical, gas chromatography, hyperspectral imaging, and next-generation sequencing methods. We also discuss computational advances that are accelerating the diversification of sensing components by mining metagenomics data for new transcriptional regulators and by designing allosteric protein switches that directly regulate reporter outputs using analytes. We highlight emerging opportunities for programming undomesticated microbes in communities to function as distributed sensors in the environment. Finally, we discuss the need for responsible biosensor development and to modernize regulatory frameworks to support evidence-based assessment of environmental biosensors.

analyte↗

DOE OSTI2025

Transforming the Process Industries through Electrification: Challenges and Opportunities

For the more than 70 years, the process industries have provided essential fuels and materials for global growth. Increased manufacturing production comes with substantial environmental impact. Reducing environmental impact through process electrification, carbon capture, and other emerging technologies would require large changes throughout the process industries. We review opportunities and challenges related to electrification, focusing on technical, operational, and economic considerations. Here, we conclude that electrification could completely eliminate scope 1 CO 2 emissions, increase product quality, and reduce the equipment size and cost. On the other hand, it calls for a significant expansion of power generation capacity, as well as new paradigms for process design and operations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗