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DOE OSTI2022

INTERSECT Architecture Specification: Microservice Architecture (V.0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the microservice architecture specification. This document represents the microservice architecture specification of the INTERSECT Open Architecture Specification.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

INTERSECT Architecture Specification: Microservice Architecture (V.0.9)

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1975

Theory and experiment of low transitions in CO discharge lasers

A self-consistent model which couples the kinetics of the electrons and heavy particles with the optical and fluid dynamic processes has been employed to identify the various parameters and explain the mechanism responsible for producing low-lying transitions in slow-flowing CO lasers. Both theory and experiment indicate that low-lying transitions can be achieved at low temperatures for low pressures (or low-flow rates) together with high partial pressures of He and N2. The role of N2 has been identified as an additive responsible for reducing the electron temperature to a range where the transfer of electrical power to the lower vibrational modes of CO is optimum.

Sidney, B.↗

NASA NTRS2004

Extravehicular Mobility Unit Training Suit Symptom Study Report

The purpose of this study was to characterize the symptoms and injuries experienced by NASA astronauts during extravehicular activity (space walk) spacesuit training at the Neutral Buoyancy Laboratory at Ellington Field, Houston, Texas. We identified the frequency and incidence rates of symptoms by each general body location and characterized mechanisms of injury and effective countermeasures. Based on these findings a comprehensive list of recommendations was made to improve training, test preparation, and current spacesuit components, and to design the next -generation spacesuit. At completion of each test event a comprehensive questionnaire was produced that documented suit symptom comments, identified mechanisms of injury, and recommended countermeasures. As we completed our study we found that most extravehicular mobility unit suit symptoms were mild, self-limited, and controlled by available countermeasures. Some symptoms represented the potential for significant injury with short- and long-term consequences regarding astronaut health and interference with mission objectives. The location of symptoms and injuries that were most clinically significant was in the hands, shoulders, and feet. Correction of suit symptoms issues will require a multidisciplinary approach to improve prevention, early medical intervention, astronaut training, test planning, and suit engineering.

Strauss, Samuel↗

DOE OSTI2020

Reproducibility in G 0 W 0 calculations for solids

Ab initio many-body perturbation theory within the GW approximation is a Green's function formalism widely used in the calculation of quasiparticle excitation energies of solids. In what has become an increasingly standard approach, Kohn–Sham eigenenergies, generated from a DFT calculation with a strategically-chosen exchange–correlation functional “starting point”, are used to construct G and W, and then perturbatively corrected by the resultant GW self-energy. In practice, there are several ways to construct the GW self-energy, and these can lead to variations in predicted quasiparticle energies. For example, for ZnO and TiO 2 , the GW fundamental gaps reported in the literature can vary by more than 1 eV depending on the GW code used. In this work, we calculate and analyze GW quasiparticle (QP) energies of these and other systems with three different GW codes: BERKELEYGW, ABINIT and YAMBO. Through a systematic analysis of the GW implementation of these three codes, we identify the primary origin of major discrepancies between codes reported in prior literature to be the different implementations the Coulomb divergence in the Fock exchange term and the frequency integration scheme of the GW self-energy. We then eliminate these discrepancies by using common numerical methods and algorithms, demonstrating that the same quasiparticle energies for a given material can be obtained with different codes, within numerical differences ascribable to the technical details of the underling implementations. This work will be important for users and developers in assessing the precision of future GW applications and methods.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Heterogeneous Wireless Mesh Network Technology Evaluation for Space Proximity and Surface Applications

NASA has identified standardized wireless mesh networking as a key technology for future human and robotic space exploration. Wireless mesh networks enable rapid deployment, provide coverage in undeveloped regions. Mesh networks are also self-healing, resilient, and extensible, qualities not found in traditional infrastructure-based networks. Mesh networks can offer lower size, weight, and power (SWaP) than overlapped infrastructure-perapplication. To better understand the maturity, characteristics and capability of the technology, we developed an 802.11 mesh network consisting of a combination of heterogeneous commercial off-the-shelf devices and opensource firmware and software packages. Various streaming applications were operated over the mesh network, including voice and video, and performance measurements were made under different operating scenarios. During the testing several issues with the currently implemented mesh network technology were identified and outlined for future work.

DeCristofaro, Michael A.↗

NASA NTRS2020

Radiography in High Mass X-Ray Binaries: Micro-Structure of the Stellar Wind Through Variability of the Column Density

Context. In high mass X-ray binaries, an accreting compact object orbits a high mass star, which loses mass through a dense and in homogeneous wind. Aims. Using the compact object as an X-ray backlight, the time variability of the absorbing column density in the wind can be exploited in order to shed light on the micro-structure of the wind and obtain unbiased stellar mass-loss rates for high mass stars. Methods. We developed a simplified representation of the stellar wind where all the matter is gathered in spherical “clumps” that are radially advected away from the star. This model enables us to explore the connections between the stochastic properties of the wind and the variability of the column density for a comprehensive set of parameters related to the orbit and to the wind micro-structure, such as the size of the clumps and their individual mass. In particular, we focus on the evolution with the orbital phase of the standard deviation of the column density and of the characteristic duration of enhanced absorption episodes. Using the porosity length, we derive analytical predictions and compare them to the standard deviations and coherence time scales that were obtained. Results. We identified the favorable systems and orbital phases to determine the wind micro-structure. The coherence time scale of the column density is shown to be the self-crossing time of a single clump in front of the compact object. We thus provide a procedure to get accurate measurements of the size and of the mass of the clumps, purely based on the observable time variability of the column density. Conclusions. The coherence time scale grants direct access to the size of the clumps, while their mass can be deduced separately from the amplitude of the variability. We further show how monitoring the variability at superior conjunctions can probe the onset of the clump-forming region above the stellar photosphere. If the high column density variations in some high mass X-ray binaries are due to unaccreted clumps which are passing by the line-of-sight, this would require high mass clumps to reproduce the observed peak-to-peak amplitude and coherence time scales. These clump properties are marginally compatible with the ones derived from radiative-hydrodynamics simulations. Alternatively, the following components could contribute to the variability of the column density: larger orbital scale structures produced by a mechanism that has yet to be identified or a dense environment in the immediate vicinity of the accretor, such as an accretion disk, an outflow, or a spherical shell surrounding the magnetosphere of the accreting neutron star.

stars: mass loss↗

DOE OSTI2021

Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites

Abstract Microbes produce a broad spectrum of antibiotic natural products, including many DNA-damaging genotoxins. Among the most potent of these are DNA alkylating agents in the spirocyclopropylcyclohexadienone (SCPCHD) family, which includes the duocarmycins, CC-1065, gilvusmycin, and yatakemycin. The yatakemycin biosynthesis cluster in Streptomyces sp. TP-A0356 contains an AlkD-related DNA glycosylase, YtkR2, that serves as a self-resistance mechanism against yatakemycin toxicity. We previously reported that AlkD, which is not present in an SCPCHD producer, provides only limited resistance against yatakemycin. We now show that YtkR2 and C10R5, a previously uncharacterized homolog found in the CC-1065 biosynthetic gene cluster of Streptomyces zelensis , confer far greater resistance against their respective SCPCHD natural products. We identify a structural basis for substrate specificity across gene clusters and show a correlation between in vivo resistance and in vitro enzymatic activity indicating that reduced product affinity—not enhanced substrate recognition—is the evolutionary outcome of selective pressure to provide self-resistance against yatakemycin and CC-1065.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Improved Mechanical Adhesion Enabled by Bilayer Hole Transport Layers in Perovskite Solar Cells

We investigate buried-interface mechanical integrity in metal-halide perovskite half-cells using carbazole-based self-assembled monolayers (SAMs) and bilayer hole transport layers composed of metal oxide underlayers and SAMs. Combining macroscopic and microscopic characterization, we quantify interfacial fracture energy (Gc) and identify delamination pathways. SAM deposition on NiOx increases Gc by approximately 10-fold compared with ITO, highlighting the importance of oxide underlayer selection. To isolate the effect of removing noncovalently bonded SAM molecules, we use vapor-deposited perovskite as a solvent-free model system, decoupling the rinse step inherent to solution processing. Removing loosely bound SAM molecules increases Gc from 0.94 +- 0.08 J.m-2 to 4.82 +- 0.79 J.m-2. These results show that oxide selection and SAM binding quality are both critical for strengthening buried interfaces and designing mechanically robust perovskite solar cells.

14 SOLAR ENERGY↗

DOE OSTI2022

Solutal-buoyancy-driven intertwining and rotation of patterned elastic sheets

Abstract The intertwining of strands into 3D spirals is ubiquitous in biology, enabling functions from information storage to maintenance of cell structure and directed locomotion. In synthetic systems, entwined fibers can provide superior mechanical properties and act as artificial muscle or structural reinforcements. Unlike structures in nature, the entwinement of synthetic materials typically requires application of an external stimulus, such as mechanical actuation, light, or a magnetic field. Herein, we use computational modeling to design microscale sheets that mimic biology by transducing chemical energy into mechanical action, and thereby self-organize and interlink into 3D spirals, which spontaneously rotate. These flexible sheets are immersed in a fluid-filled microchamber that encompasses an immobilized patch of catalysts on the bottom wall. The sheets themselves can be passive or active (coated with catalyst). Catalytic reactions in the solution generate products that occupy different volumes than the reactants. The resulting density variations exert a force on the fluid (solutal buoyancy force) that causes motion, which in turn drives the interlinking and collective swirling of the sheets. The individual sheets do not rotate; rotation only occurs when the sheets are interlinked. This level of autonomous, coordinated 3D structural organization, intertwining, and rotation is unexpected in synthetic materials systems operating without external controls. Using physical arguments, we identify dimensionless ratios that are useful in scaling these ideas to other systems. These findings are valuable for creating materials that act as “machines”, and directing soft matter to undergo self-sustained, multistep assembly that is governed by intrinsic chemical reactions.

Manna, Raj Kumar (ORCID:0000000322729487)↗

DOE OSTI2023

Geoelectric Characterization of Hyporheic Exchange Flow in the Bedrock‐Lined Streambed of East Fork Poplar Creek, Oak Ridge, Tennessee

Abstract A multimethod geoelectric survey was implemented between January and March 2022 along a 220‐m long reach of the bedrock‐lined streambed of East Fork Poplar Creek in Oak Ridge, Tennessee to identify locations of surface‐water and groundwater exchange and characterize the subsurface flow paths that convey water between the stream and flood plain. A waterborne self‐potential (WaSP) survey was completed in January 2022 to measure the electric streaming‐potential field in the stream. Electric resistivity tomography (ERT) was performed in March 2022 on the flood plain adjacent to the WaSP survey reach to map the electric resistivity distribution and characterize the hydrogeology and subsurface flow paths that facilitate surface‐water and groundwater exchange in the bedrock‐lined stream. The combination of WaSP and ERT data support the qualitative interpretation that surface‐water and groundwater exchange likely occurs along fractures in outcropping bedrock and along two fault lines that intersect the limestone creek bed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Differentiating Hund from Mott physics in a three-band Hubbard-Hund model: Temperature dependence of spectral, transport, and thermodynamic properties

We study the interplay between Mott physics, driven by Coulomb repulsion U, and Hund physics, driven by Hund's coupling J, for a minimal model for Hund metals, the orbital-symmetric three-band Hubbard-Hund model (3HHM) for a lattice filling of 1/3. Hund-correlated metals are characterized by spin-orbital separation (SOS), a Hund's-rule-induced two-stage Kondo-type screening process, in which spin screening occurs at much lower energy scales than orbital screening. By contrast, in Mott-correlated metals, lying close to the phase boundary of a metal-insulator transition, the SOS window becomes negligibly small and the Hubbard bands are well separated. Using dynamical mean-field theory and the numerical renormalization group as real-frequency impurity solver, we identify numerous fingerprints distinguishing Hundness from Mottness in the temperature dependence of various physical quantities. Furthermore, These include ARPES-type spectra, the local self-energy, static local orbital and spin susceptibilities, resistivity, thermopower, and lattice and impurity entropies. Our detailed description of the behavior of these quantities within the context of a simple model Hamiltonian will be helpful for distinguishing Hundness from Mottness in experimental and theoretical studies of real materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Cybersecurity for the Operational Technology Environment (CyOTE) (Final Technical Report)

Electric grids have historically been susceptible to both physical attacks and environmental hazards but the implementation of smart grids, remote management, and self-healing networks, has now made the grid vulnerable to cyber attacks. To address risks introduced by routable connectivity, utilities must establish dynamic solutions to identify, protect, detect, respond to, and recover from cyber security threats and vulnerabilities. In response to the evolving threat landscape U.S. Department of Energy-Office of Cybersecurity, Energy Security, and Emergency Response (DOE CESER) initiated the Cybersecurity for the OT Environment (CyOTE) pilot program, a U.S. Department of Energy (DOE) effort designed to leverage U.S. intelligence capabilities to prevent, detect, or mitigate a cyber attack on utility operational technology (OT) networks. As part of the CyOTE pilot, The Southern Company (Southern Company or Southern) researched, evaluated and deployed emerging Commercial off the Shelf (COTS) technologies and cyber security monitoring architectures to provide previously unrealized network visibility and situational awareness through deep packet inspection and data analytics. This Final Scientific/Technical Report documents the objectives, methodology, lessons learned, and results of Southern Company’s participation in the CyOTE pilot from December 2018 to September 2023.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Resilience in an Evolving Electrical Grid

Fundamental shifts in the structure and generation profile of electrical grids are occurring amidst increased demand for resilience. These two simultaneous trends create the need for new planning and operational practices for modern grids that account for the compounding uncertainties inherent in both resilience assessment and increasing contribution of variable inverter-based renewable energy sources. This work reviews the research work addressing the changing generation profile, state-of-the-art practices to address resilience, and research works at the intersection of these two topics in regards to electrical grids. The contribution of this work is to highlight the ongoing research in power system resilience and integration of variable inverter-based renewable energy sources in electrical grids, and to identify areas of current and further study at this intersection. Areas of research identified at this intersection include cyber-physical analysis of solar, wind, and distributed energy resources, microgrids, network evolution and observability, substation automation and self-healing, and probabilistic planning and operation methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Balloon Tag Manufacturing Technique for Sensor Fish and Live Fish Recovery

Fish may experience injuries and mortality when they pass through hydraulic conveyances at hydropower dams, even if these conveyances are designed to be fish-friendly, such as downstream bypass systems, modified spillways and turbines. The main methods used to study fish passage conditions in hydraulic structures involve direct, in situ testing using Sensor Fish technology and live fish. Sensor Fish data helps identify physical stressors and their locations in the fish passage environment, while live fish are assessed for injuries and mortality. Balloon tags, which are self-inflating balloons attached externally to Sensor Fish and live fish, aid in their recovery after passing through hydraulic structures. This article focuses on the development of balloon tags with varying numbers of dissolvable, vegetable-based capsules containing a mixture of oxalic acid, sodium bicarbonate powders, and water at two different temperatures. Our research determined that balloon tags with three capsules, injected with 5 mL of water at 18.3 °C, consistently achieved the desired balloon volume. These tags had a mean inflation volume of 114 cm 3 with a standard deviation of 1.2 cm 3 . Among the balloon tags injected with water at 18.3 °C, it was observed that the two-capsule balloon tags took the longest time to reach full inflation. In addition, the four-capsule balloon tags demonstrated a faster inflation start time, while the three-capsule balloon tags demonstrated a faster deflation start time. Overall, this approach proves to be effective for validating the performance of new technologies, improving turbine design, and making operational decisions to enhance fish passage conditions. Importantly, it serves as a valuable tool for research and field evaluations, aiding in the refinement of both the design and operation of hydraulic structures.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1976

Theory of low transitions in CO discharge lasers

A self consistent theoretical model which couples the electron and heavy particle finite rate kinetics with the optical and fluid dynamic processes has been employed to identify the various parameters and explain the mechanism responsible for producing low lying transitions in slow flowing CO lasers. It is found that lasing on low lying transitions can be achieved at low temperatures for low pressures (or low flow rates) together with high partial pressures of the He and N2. The role of N2 has been identified as an additive responsible for reducing the electron temperature to a range where the transfer of electrical power to the lower vibrational modes of CO is optimum.

Sidney, B. D.↗

NASA NTRS1989

Human factors and productivity on Space Station Freedom

Three main facets of man systems are investigated with reference to the Space Station Freedom program: specific hardware systems that focus on the human element; requirements definition for man-systems integration; and crew interface and operations analysis. Three key criteria have been identified for selecting individuals to constitute the human system or crew for Space Station Freedom missions: aptitude for mission specific skills, motivation, and sensitivity to self and others. Integration of the human system into the complex engineering and science systems planned on Space Station Freedom will require the close collaboration of engineers, physicians, psychologists, and human factors experts. Ground-based research and experiments on the KC-135 aircraft are providing information about how human systems will function on a space station and how to design other systems to interact with the crew. A laboratory for further research will be provided onboard Space Station Freedom.

Leach, C. S.↗

NASA NTRS2011

NASA Tech Briefs, April 2011

Topics covered include: Amperometric Solid Electrolyte Oxygen Microsensors with Easy Batch Fabrication; Two-Axis Direct Fluid Shear Stress Sensor for Aerodynamic Applications; Target Assembly to Check Boresight Alignment of Active Sensors; Virtual Sensor Test Instrumentation; Evaluation of the Reflection Coefficient of Microstrip Elements for Reflectarray Antennas; Miniaturized Ka-Band Dual-Channel Radar; Continuous-Integration Laser Energy Lidar Monitor; Miniaturized Airborne Imaging Central Server System; Radiation-Tolerant, SpaceWire-Compatible Switching Fabric; Small Microprocessor for ASIC or FPGA Implementation; Source-Coupled, N-Channel, JFET-Based Digital Logic Gate Structure Using Resistive Level Shifters; High-Voltage-Input Level Translator Using Standard CMOS; Monitoring Digital Closed-Loop Feedback Systems; MASCOT - MATLAB Stability and Control Toolbox; MIRO Continuum Calibration for Asteroid Mode; GOATS Image Projection Component; Coded Modulation in C and MATLAB; Low-Dead-Volume Inlet for Vacuum Chamber; Thermal Control Method for High-Current Wire Bundles by Injecting a Thermally Conductive Filler; Method for Selective Cleaning of Mold Release from Composite Honeycomb Surfaces; Infrared-Bolometer Arrays with Reflective Backshorts; Commercialization of LARC (trade mark) -SI Polyimide Technology; Novel Low-Density Ablators Containing Hyperbranched Poly(azomethine)s; Carbon Nanotubes on Titanium Substrates for Stray Light Suppression; Monolithic, High-Speed Fiber-Optic Switching Array for Lidar; Grid-Tied Photovoltaic Power System; Spectroelectrochemical Instrument Measures TOC; A Miniaturized Video System for Monitoring Drosophila Behavior; Hydrofocusing Bioreactor Produces Anti-Cancer Alkaloids; Creep Measurement Video Extensometer; Radius of Curvature Measurement of Large Optics Using Interferometry and Laser Tracker n-B-pi-p Superlattice Infrared Detector; Safe Onboard Guidance and Control Under Probabilistic Uncertainty; General Tool for Evaluating High-Contrast Coronagraphic Telescope Performance Error Budgets; Hidden Statistics of Schroedinger Equation; Optimal Padding for the Two-Dimensional Fast Fourier Transform; Spatial Query for Planetary Data; Higher Order Mode Coupling in Feed Waveguide of a Planar Slot Array Antenna; Evolutionary Computational Methods for Identifying Emergent Behavior in Autonomous Systems; Sampling Theorem in Terms of the Bandwidth and Sampling Interval; Meteoroid/Orbital Debris Shield Engineering Development Practice and Procedure; Self-Balancing, Optical-Center-Pivot, Fast-Steering Mirror; Wireless Orbiter Hang-Angle Inclinometer System; and Internal Electrostatic Discharge Monitor - IESDM.

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