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DOE OSTI2024

2024 roadmap on magnetic microscopy techniques and their applications in materials science

Considering the growing interest in magnetic materials for unconventional computing, data storage, and sensor applications, there is active research not only on material synthesis but also characterisation of their properties. In addition to structural and integral magnetic characterisations, imaging of magnetisation patterns, current distributions and magnetic fields at nano- and microscale is of major importance to understand the material responses and qualify them for specific applications. In this roadmap, we aim to cover a broad portfolio of techniques to perform nano- and microscale magnetic imaging using superconducting quantum interference devices, spin centre and Hall effect magnetometries, scanning probe microscopies, x-ray- and electron-based methods as well as magnetooptics and nanoscale magnetic resonance imaging. The roadmap is aimed as a single access point of information for experts in the field as well as the young generation of students outlining prospects of the development of magnetic imaging technologies for the upcoming decade with a focus on physics, materials science, and chemistry of planar, three-dimensional and geometrically curved objects of different material classes including two-dimensional materials, complex oxides, semi-metals, multiferroics, skyrmions, antiferromagnets, frustrated magnets, magnetic molecules/nanoparticles, ionic conductors, superconductors, spintronic and spinorbitronic materials.

2D materials↗

DOE OSTI2014

Application of small-angle neutron scattering to the study of forces between magnetically chained monodisperse ferrofluid emulsion droplets

The optical magnetic chaining technique (MCT) developed by Leal-Calderon, Bibette and co-workers in the 1990 s allows precise measurements of force profiles between droplets in monodisperse ferrofluid emulsions. However, the method lacks an in-situ determination of droplet size and therefore requires the combination of separately acquired measurements of droplet chain periodicity versus an applied magnetic field from optical Bragg scattering and droplet diameter inferred from dynamic light scattering (DLS) to recover surface force-distance profiles between the colloidal particles. Compound refractive lens (CRL) focussed small-angle scattering (SANS) MCT should result in more consistent measurements of droplet size (form factor measurements in the absence of field) and droplet chaining period (from structure factor peaks when the magnetic field is applied); and, with access to shorter length scales, extend force measurements to closer approaches than possible by optical measurements. We report on CRL-SANS measurements of monodisperse ferrofluid emulsion droplets aligned in straight chains by an applied field perpendicular to the incident beam direction. Analysis of the scattering from the closely spaced droplets required algorithms that carefully treated resolution and its effect on mean scattering vector magnitudes in order to determine droplet size and chain periods to sufficient accuracy. At lower applied fields scattering patterns indicate structural correlations transverse to the magnetic field direction due to the formation of intermediate structures in early chain growth.

Colloid↗

DOE OSTI2018

Microscale-Resolution Thermal Mapping Using a Flexible Platform of Patterned Quantum Sensors

Here, temperature sensors with micro- and nanoscale spatial resolution have long been explored for their potential to investigate the details of physical systems at an unprecedented scale. In particular, the rapid miniaturization of transistor technology, with its associated steep boost in power density, calls for sensors that accurately monitor heating distributions. Here, we report on a simple and scalable fabrication approach, based on directed self-assembly and transfer-printing techniques, to constructing arrays of nanodiamonds containing temperature-sensitive fluorescent spin defects. The nano-particles are embedded within a low-thermal-conductivity matrix that allows for repeated use on a wide range of systems with minimal spurious effects. Additionally, we demonstrate access to a wide spectrum of array parameters ranging from sparser single-particle arrays, with the potential for quantum computing applications, to denser devices with 98 ± 0.8% yield and stronger photoluminescence signals, ideal for temperature measurements. With these, we experimentally reconstruct the temperature map of an operating coplanar waveguide to confirm the accuracy of these platforms.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Redox cycling-based detection of phenazine metabolites secreted from Pseudomonas aeruginosa in nanopore electrode arrays

The opportunistic pathogen Pseudomonas aeruginosa (P. aeruginosa) produces several redox-active phenazine metabolites, including pyocyanin (PYO) and phenazine-1-carboxamide (PCN), which are electron carrier molecules that also aid in virulence. In particular, PYO is an exclusive metabolite produced by P. aeruginosa, which acts as a virulence factor in hospital-acquired infections and is therefore a good biomarker for identifying early stage colonization by this pathogen. Here, we describe the use of nanopore electrode arrays (NEAs) exhibiting metal–insulator–metal ring electrode architectures for enhanced detection of these phenazine metabolites. The size of the nanopores allows phenazine metabolites to freely diffuse into the interior and access the working electrodes, while the bacteria are excluded. Consequently, highly efficient redox cycling reactions in the NEAs can be accessed by free diffusion unhindered by the presence of bacteria. This strategy yields low limits of detection, i.e. 10.5 and 20.7 nM for PYO and PCN, respectively, values far below single molecule pore occupancy, e.g. at 10.5 nM < n pore > ~ 0.082 per nanopore – a limit which reflects the extraordinary signal amplification in the NEAs. Furthermore, experiments that compared results from minimal medium and rich medium show that P. aeruginosa produces the same types of phenazine metabolites even though growth rates and phenazine production patterns differ in these two media. Here, the NEA measurement strategy developed here should be useful as a diagnostic for pathogens generally and for understanding metabolism in clinically important microbial communities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Large Angle Rocking Beam Electron Diffraction Utilizing Electron Direct Detector

Electron diffraction of a crystal is fundamentally a function of the potential of that crystal. The intensity of electron diffraction patterns is, as a result, sensitive to the charge density of atoms and bonding inside crystals. Experimentally, the traditional method to probe this information is quantitative Convergent Beam Electron Diffraction (CBED). Quantitative CBED or QCEBD is a method which uses dynamic diffraction theory to quantify CBED intensities and to extract information about crystal structure and bonding. The sensitivity of dynamical scattering is leveraged to measure crystal symmetry and crystal structure factors. At its limit, electron structure factors are measured at high accuracy allowing access to chemical bonding information, which corroborate theoretical calculations through multipole model refinements of the experimental charge density. The primary limit to QCBED is the requirement of a non-overlapping convergent beam. This subsequently limits QCBED to crystals with small unit cells which are stable under the focused probe.

Busch, Robert↗

DOE OSTI2025

Technical Background and Validation Report on the Residential Water Inhalation Risk Calculator Presented in the Risk Assessment Information System

Indoor air quality (IAQ) is critical for human health. Poor IAQ is linked to respiratory issues, cardiovascular diseases, and cancer. Indoor pollutants are emitted by typical household items such as cleaning products, personal care items, building materials, and tap water - an understudied volatile organic compound (VOC) source. This document presents the Residential Water Inhalation Risk Calculator (RWIRC), which estimates daily VOC exposure concentrations from various household water uses, such as showering and dishwashing, to assess exposure risks for the most vulnerable occupant. Integrated into the Risk Assessment Information System (RAIS) and sponsored by the US Department of Energy (DOE), the calculator divides a house into three compartments: shower, bathroom, and other spaces, accounting for daily water usage patterns and calculating VOC concentrations. Exposure data generated using the calculator can assist health assessors in estimating excess lifetime cancer risk (ELCR) and hazard index (HI) from VOC inhalation. Unlike traditional exposure models that utilize Andelman’s constant, the RWIRC continuously assesses variability in VOC concentrations and environmental conditions using differential equations to track VOC concentrations and air exchange between compartments. The calculator also provides unique volatilization fractions for each chemical and appliance, enhancing accuracy of the exposure concentration estimation. The RWIRC is accessible online and allows users to customize parameters (i.e., number of bathrooms, water temperature, and exhaust fan conditions) and input VOC characteristics (i.e., tap water and ambient air concentrations). This document provides a step-by-step guide on implementing the calculator. It also provides comparisons with the ATSDR-SHOWER calculator, using eight VOCs with varying physicochemical properties to reveal differences in algorithms and output concentrations. Simulations also assess how bathroom door positions and exhaust fan usage affect VOC exposure. The calculator results can enhance EPA risk screening levels for inhalation exposure to VOCs from tap water, offering a sophisticated tool for assessing inhalation risks and improving public health protection.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

OBSERVATIONAL SELECTION EFFECTS WITH GROUND-BASED GRAVITATIONAL WAVE DETECTORS

Ground-based interferometers are not perfect all-sky instruments, and it is important to account for their behavior when considering the distribution of detected events. In particular, the LIGO detectors are most sensitive to sources above North America and the Indian Ocean, and as the Earth rotates, the sensitive regions are swept across the sky. However, because the detectors do not acquire data uniformly over time, there is a net bias on detectable sources’ right ascensions. Both LIGO detectors preferentially collect data during their local night; it is more than twice as likely to be local midnight than noon when both detectors are operating. We discuss these selection effects and how they impact LIGO’s observations and electromagnetic (EM) follow-up. Beyond galactic foregrounds associated with seasonal variations, we find that equatorial observatories can access over 80% of the localization probability, while mid-latitudes will access closer to 70%. Facilities located near the two LIGO sites can observe sources closer to their zenith than their analogs in the south, but the average observation will still be no closer than 44° from zenith. We also find that observatories in Africa or the South Atlantic will wait systematically longer before they can begin observing compared to the rest of the world; though, there is a preference for longitudes near the LIGOs. These effects, along with knowledge of the LIGO antenna pattern, can inform EM follow-up activities and optimization, including the possibility of directing observations even before gravitational-wave events occur.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1990

Fault-tolerant, embedded CLIPS applications

The enhancements to CLIPS4.3 presented in this paper provide an embedded CLIPS application with the ability to continue operation with minimal to no loss of information in the event of a hardware or a software failure. Given an arbitrary failure, the CLIPS application's environment (fact-list, agenda, and pattern matching network) will be reconstructed to the point at which the failure was experienced. The environment reconstruction is based on state files to which the application periodically checks environment information (fact-list and agenda). The routine for checkpointing the state of the application is as efficient as possible so that the overhead introduced to normal execution of the application is minimal. The only assumptions made by the CLIPS application are that it is running under an operating system that guarantees it access to uncorrupt state files and that the application will be automatically restarted should it terminate abnormally.

Hicks, Jaye↗

NASA NTRS2012

Low-Cost Phased Array Antenna for Sounding Rockets, Missiles, and Expendable Launch Vehicles

A low-cost beamformer phased array antenna has been developed for expendable launch vehicles, rockets, and missiles. It utilizes a conformal array antenna of ring or individual radiators (design varies depending on application) that is designed to be fed by the recently developed hybrid electrical/mechanical (vendor-supplied) phased array beamformer. The combination of these new array antennas and the hybrid beamformer results in a conformal phased array antenna that has significantly higher gain than traditional omni antennas, and costs an order of magnitude or more less than traditional phased array designs. Existing omnidirectional antennas for sounding rockets, missiles, and expendable launch vehicles (ELVs) do not have sufficient gain to support the required communication data rates via the space network. Missiles and smaller ELVs are often stabilized in flight by a fast (i.e. 4 Hz) roll rate. This fast roll rate, combined with vehicle attitude changes, greatly increases the complexity of the high-gain antenna beam-tracking problem. Phased arrays for larger ELVs with roll control are prohibitively expensive. Prior techniques involved a traditional fully electronic phased array solution, combined with highly complex and very fast inertial measurement unit phased array beamformers. The functional operation of this phased array is substantially different from traditional phased arrays in that it uses a hybrid electrical/mechanical beamformer that creates the relative time delays for steering the antenna beam via a small physical movement of variable delay lines. This movement is controlled via an innovative antenna control unit that accesses an internal measurement unit for vehicle attitude information, computes a beam-pointing angle to the target, then points the beam via a stepper motor controller. The stepper motor on the beamformer controls the beamformer variable delay lines that apply the appropriate time delays to the individual array elements to properly steer the beam. The array of phased ring radiators is unique in that it provides improved gain for a small rocket or missile that uses spin stabilization for stability. The antenna pattern created is symmetric about the roll axis (like an omnidirectional wraparound), and is thus capable of providing continuous coverage that is compatible with very fast spinning rockets. For larger ELVs with roll control, a linear array of elements can be used for the 1D scanned beamformer and phased array, or a 2D scanned beamformer can be used with an NxN element array.

Mullinix, Daniel↗

DOE OSTI2025

Insights Into Seismicity Associated With Flexibly Operating Enhanced Geothermal System From Real‐Time Distributed Acoustic Sensing

Enhanced Geothermal Systems (EGS) have the capacity to broaden the accessible resource pool for geothermal power generation. Traditionally viewed as a “baseload” resource, their flexible operation might also enable dispatchable load‐following generation and long‐term energy storage, aligning them with the evolving landscape of decarbonized electricity systems. However, increasing permeability and extracting energy during EGS operations can induce microseismic events; for many prior EGS efforts, some associated seismicity has been observed. While energetically beneficial, the flexibility of EGS operations prompts our inquiry into whether new types of operations will yield previously unseen seismicity patterns. We demonstrate the use of distributed acoustic sensing (DAS) with real‐time edge computing to monitor seismicity during a pilot test of a cyclically operated EGS facility at the Blue Mountain geothermal field. Our focus lies in uncovering seismicity insights from the real‐time microseismic catalog, particularly during load‐following dispatchability tests simulating flexible EGS operation. Here, we find that variations in pore pressure consistently correlate with seismicity, and that controlling pressure cycles during flexible operations appears to constrain microseismic activity during subsequent cycles. The spatio‐temporal evolution of microseismic clouds recorded during cyclic injection cycles fits diffusive models over our available observation period. Additionally, seismicity elevation lags behind pore pressure increases, likely due to pressure diffusion to the fracture system boundary. Through real‐time monitoring, we offer novel insights into seismicity associated with flexibly operating EGS. Our findings suggest that leveraging DAS and edge computing can inform EGS operations and help mitigate induced seismicity.

Chamarczuk, Michal [Rice Univ., Houston, TX (Unite↗

DOE OSTI2022

Direct observation of the dead-cone effect in quantum chromodynamics

In particle collider experiments, elementary particle interactions with large momentum transfer produce quarks and gluons (known as partons) whose evolution is governed by the strong force, as described by the theory of quantum chromodynamics (QCD). These partons subsequently emit further partons in a process that can be described as a parton shower, which culminates in the formation of detectable hadrons. Studying the pattern of the parton shower is one of the key experimental tools for testing QCD. This pattern is expected to depend on the mass of the initiating parton, through a phenomenon known as the dead-cone effect, which predicts a suppression of the gluon spectrum emitted by a heavy quark of mass m Q and energy E, within a cone of angular size m Q /E around the emitter. Previously, a direct observation of the dead-cone effect in QCD had not been possible, owing to the challenge of reconstructing the cascading quarks and gluons from the experimentally accessible hadrons. We report the direct observation of the QCD dead cone by using new iterative declustering techniques to reconstruct the parton shower of charm quarks. This result confirms a fundamental feature of QCD. Furthermore, the measurement of a dead-cone angle constitutes a direct experimental observation of the non-zero mass of the charm quark, which is a fundamental constant in the standard model of particle physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Factors Affecting Override Behavior during Demand Flexibility from High-Resolution Smart Thermostat Data

In this study, we delineate key weather and demographic predictors of override behavior in residential buildings during connected thermostats demand response events. Anticipating and reducing overrides is critical to demand flexibility (DF) program success. We use high- dimensional fixed effects linear regression techniques on a large ecobee dataset for about 5,000 enrolled households in the United States. We identify critical weather (indoor and outdoor temperature), building (housing type), and occupant (previous DF overrides and previous DF event exposure) factors influencing the override patterns of customers during thermostat demand response. We also differentiate DF events by season to understand the different indoor and outdoor conditions that might influence seasonal override rates. We found significant differences in override rates between building types, with single-family semi-detached homes generally having the highest overrides. Having a history of overrides was additionally a critical factor in predicting occupant response to future DF events. Understanding these override differences is necessary for rural electric cooperatives and emerging DF programs without access to large DR historical data. Overall, we provide critical information on technical and local demographic characteristics that may be correlated to building type to influence strategies to reduce overrides and improve the adoption of DF technologies.

connected thermostats (CTs)↗

DOE OSTI2022

Constraining the release of Sn to the ambient melting point following shock loading using time-resolved x-ray diffraction

The formation of liquid following release from a shocked state governs the transition from spall to cavitation and the formation of ejecta in metals. In order to build physics-based models of these processes, it is necessary to critically evaluate the relative importance of kinetics and entropy generation during the release along with the accuracy of multiphase equations of state. Tin (Sn) has served as a testbed for a variety of experiments examining strength and ejecta due to its accessible melt boundary and solid–solid phase transitions. This work presents experiments examining the phase evolution of high purity Sn following the shock and release to ambient stress near the melting point. Sn is found to release to states between its ambient solidus and liquidus from approximately 19 to 33 GPa under uniaxial loading, with the two-phase region being characterized by a reduction in the intensity of the (220), (211) β -Sn doublet. Jetting experiments performed at 27–28 GPa exhibit comparable diffraction patterns with what is observed following the uniaxial release. The solid fractions of β-Sn in the ambient mixed phase region are found to decrease linearly with increasing shock stress as increasing liquid Sn is formed. Here, the results provide much needed information for interpreting measurements of dynamic strength at a high strain rate and experiments examining cavitation and shallow bubble collapse in Sn.

, spall↗

DOE OSTI2020

Improving qubit readout with hidden Markov models

We demonstrate the application of pattern recognition algorithms via hidden Markov models (HMM) for qubit readout. This scheme provides a state-path trajectory approach capable of detecting qubit-state transitions and makes for a robust classification scheme with higher starting-state assignment fidelity than when compared to a multivariate Gaussian or a support vector machine scheme. Therefore, the method also eliminates the qubit-dependent readout time optimization requirement in current schemes. Using a HMM state discriminator we estimate fidelities reaching the ideal limit. Unsupervised learning gives access to transition matrix, priors, and IQ distributions, providing a toolbox for studying qubit-state dynamics during strong projective readout.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Emulating 2D Materials with Magnons

Spin waves (magnons) in two-dimensional (2D) materials have received increasing interest due to their unique states and potential for tunability. However, many interesting features of these systems, including Dirac points and topological states, occur at high frequencies, where experimental probes are limited. Here, we study a crystal formed by patterning a hexagonal array of holes in a perpendicularly magnetized thin film. Through simulation, we find that the magnonic band structure imitates that of graphene, but additionally has some kagomelike character and includes a few flat bands. Surprisingly, its nature can be understood using a nine-band tight-binding Hamiltonian. This clear analogy to 2D materials enables band-gap engineering in 2D, topological magnons along 1D phase boundaries, and spectrally isolated modes at 0D point defects. Interestingly, the 1D phase boundaries allow access to the valley degree of freedom through a magnonic analog of the quantum valley Hall insulator. These approaches can be extended to other magnonic systems, but are potentially more general due to the simplicity of the model, which resembles existing results from electron, phonon, photon, and cold-atom systems. This finding brings the physics of spin waves in 2D materials to more experimentally accessible scales, augments it, and outlines a few principles for controlling magnonic states.

Ferrimagnets↗

NASA NTRS2018

Climate Change Impacts on Agriculture: Challenges, Opportunities, and AgMIP Frameworks for Foresight

Agricultural systems are currently undergoing rapid shifts owing to socioeconomic development, technological change, population growth, economic opportunity, evolving demand for commodities, and the need for sustainability amid global environmental change. It is not sufficient to maintain current harvest levels; rather, there is a need to rapidly increase production in light of a population growing to nearly 10 billion by mid-century and to more than 11 billion by 2100 (FAO, 2016; UN, 2016; Popkin et al., 2012). Current and future agricultural systems are additionally burdened by human-caused climate change, the result of accumulating greenhouse gas and aerosol emissions, ecological destruction, and land use changes that have altered the chemical composition of Earth’s atmosphere and trapped energy in the Earth system (IPCC, 2013; Porter et al., 2014). This increased energy has already raised average surface temperatures by approximately 1 degree Centigrade (GISTEMP Team, 2017; Hansen et al., 2010), leading early on to the term “global warming,” but this phenomenon is now more accurately referred to as “climate change” because it also modifies atmospheric circulation, adjusts regional and seasonal precipitation patterns, and shifts the distribution and characteristics of extreme events (Bindoff et al., 2013; Collins et al., 2013). Food and health systems face increasing risk owing to progressive climate change now manifesting itself as more frequent, severe extreme weather events—heat waves, droughts, and floods (IPCC, 2013). Often without warning, weather-related shocks can have catastrophic and reverberating impacts on the increasingly exposed global food system—through production, processing, distribution, retail, disposal, and waste. Simultaneously, malnutrition and ill health are arising from lack of access to nutritious food, exacerbated in crises such as food price spikes or shortages. For some countries, particularly import-dependent low-income countries, weather shocks and price spikes can lead to social unrest, famine, and migration.

Ruane, Alex C.↗

DOE OSTI2014

Landscape Characterization and Representativeness Analysis for Understanding Sampling Network Coverage

Sampling networks rarely conform to spatial and temporal ideals, often comprised of network sampling points which are unevenly distributed and located in less than ideal locations due to access constraints, budget limitations, or political conflict. Quantifying the global, regional, and temporal representativeness of these networks by quantifying the coverage of network infrastructure highlights the capabilities and limitations of the data collected, facilitates upscaling and downscaling for modeling purposes, and improves the planning efforts for future infrastructure investment under current conditions and future modeled scenarios. The work presented here utilizes multivariate spatiotemporal clustering analysis and representativeness analysis for quantitative landscape characterization and assessment of the Fluxnet, RAINFOR, and ForestGEO networks. Results include ecoregions that highlight patterns of bioclimatic, topographic, and edaphic variables and quantitative representativeness maps of individual and combined networks.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

The Plant Ontology Facilitates Comparisons of Plant Development Stages Across Species

The Plant Ontology (PO) is a community resource consisting of standardized terms, definitions, and logical relations describing plant structures and development stages, augmented by a large database of annotations from genomic and phenomic studies. This paper describes the structure of the ontology and the design principles we used in constructing PO terms for plant development stages. It also provides details of the methodology and rationale behind our revision and expansion of the PO to cover development stages for all plants, particularly the land plants (bryophytes through angiosperms). As a case study to illustrate the general approach, we examine variation in gene expression across embryo development stages in Arabidopsis and maize, demonstrating how the PO can be used to compare patterns of expression across stages and in developmentally different species. Although many genes appear to be active throughout embryo development, we identified a small set of uniquely expressed genes for each stage of embryo development and also between the two species. Evaluating the different sets of genes expressed during embryo development in Arabidopsis or maize may inform future studies of the divergent developmental pathways observed in monocotyledonous versus dicotyledonous species. The PO and its annotation database (http://www.planteome.org) make plant data for any species more discoverable and accessible through common formats, thus providing support for applications in plant pathology, image analysis, and comparative development and evolution.

Plant Sciences↗