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DOE OSTI2023

Time-resolving state-specific molecular dissociation with XUV broadband absorption spectroscopy

The electronic and nuclear dynamics inside molecules are essential for chemical reactions, where different pathways typically unfold on ultrafast timescales. Extreme ultraviolet (XUV) light pulses generated by free-electron lasers (FELs) allow atomic-site and electronic-state selectivity, triggering specific molecular dynamics while providing femtosecond resolution. Yet, time-resolved experiments are either blind to neutral fragments or limited by the spectral bandwidth of FEL pulses. Here, we combine a broadband XUV probe pulse from high-order harmonic generation with an FEL pump pulse to observe dissociation pathways leading to fragments in different quantum states. We temporally resolve the dissociation of a specific O 2 + state into two competing channels by measuring the resonances of ionic and neutral fragments. This scheme can be applied to investigate convoluted dynamics in larger molecules relevant to diverse science fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Use of magnetic compression to support turbine engine rotors

Ever since the advent of gas turbine engines, their rotating disks have been designed with sufficient size and weight to withstand the centrifugal forces generated when the engine is operating. Unfortunately, this requirement has always been a life and performance limiting feature of gas turbine engines and, as manufacturers strive to meet operator demands for more performance without increasing weight, the need for innovative technology has become more important. This has prompted engineers to consider a fundamental and radical breakaway from the traditional design of turbine and compressor disks which have been in use since the first jet engine was flown 50 years ago. Magnetic compression aims to counteract, by direct opposition rather than restraint, the centrifugal forces generated within the engine. A magnetic coupling is created between a rotating disk and a stationary superconducting coil to create a massive inwardly-directed magnetic force. With the centrifugal forces opposed by an equal and opposite magnetic force, the large heavy disks could be dispensed with and replaced with a torque tube to hold the blades. The proof of this concept has been demonstrated and the thermal management of such a system studied in detail; this aspect, especially in the hot end of a gas turbine engine, remains a stiff but not impossible challenge. The potential payoffs in both military and commercial aviation and in the power generation industry are sufficient to warrant further serious studies for its application and optimization.

Pomfret, Chris J.↗

NASA NTRS1991

Solar Pumped Lasers and Their Applications

Since 1980, NASA has been pursuing high power solar lasers as part of the space power beaming program. Materials in liquid, solid, and gas phases have been evaluated against the requirements for solar pumping. Two basic characteristics of solar insolation, namely its diffuse irradiance and 5800 K blackbody-like spectrum, impose rather stringent requirements for laser excitation. However, meeting these requirements is not insurmountable as solar thermal energy technology has progressed today, and taking advantage of solar pumping lasers is becoming increasingly attractive. The high density photons of concentrated solar energy have been used for mainly electric power generation and thermal processing of materials by the DOE Solar Thermal Technologies Program. However, the photons can interact with materials through many other direct kinetic paths, and applications of the concentrated photons could be extended to processes requiring photolysis, photosynthesis, and photoexcitation. The use of solar pumped lasers on Earth seems constrained by economics and sociopolitics. Therefore, prospective applications may be limited to those that require use of quantum effects and coherency of the laser in order to generate extremely high value products and services when conventional and inexpensive means are ineffective or impossible. The new applications already proposed for concentrated solar photons, such as destruction of hazardous waste, production of renewable fuel, production of fertilizer, and air/water pollution controls, may benefit from the use of inexpensive solar pumped laser matched with the photochemical kinetics of these processes.

Lee, Ja H.↗

DOE OSTI2022

Limitations of reanalysis data for wind power applications

Wind energy resource estimates commonly depend on simulated wind speed profiles generated by reanalysis or weather models due to the lack of long time series measurements with sufficient coverage at relevant heights (roughly 90 m above ground). However, modeled data, including reanalyses, can be noisy and display a wide range of biases and errors, variously attributed to terrain effects, poor coverage of assimilated inputs, and model resolution. Wind generation records, if available at high temporal and geographical resolution, can provide a proxy for wind measurements and allow for evaluation of reanalyses and weather model wind time series. We use a 7-year-long data set of hourly, plant-level generation records from over 100 wind plants across Texas to evaluate two commonly used reanalysis data sets (MERRA2 and ERA5). Additionally, we use 1-year of records (2019) to evaluate an operational, high-resolution regional weather modeling product (HRRR v3). We find that across the region, and across all modeling products, the modeled representation of wind generation (i.e., wind speeds at hub heights passed through a power curve) has relatively small mean errors when aggregated daily, but that accuracy and hourly correlation have a strong diurnal sensitivity. Accuracy and correlation systematically decline through the evening and markedly improve after sunrise. These diurnal patterns persist even in the highest resolution model tested (HRRR v3). We hypothesize the nighttime decline in accuracy is mostly due to poorly represented boundary layer conditions, perhaps related to model representation of stability, while other uncertainties (such as wake effects) play a secondary role.

17 WIND ENERGY↗

NASA NTRS1977

Fundamental electronic mechanisms limiting the performance of solar cells

Attention is focused on distortion in the energy band, and carrier recombination and generation rates (lifetimes), as the two dominant mechanisms. Spatial dependences associated with these two mechanisms, in the direction normal to the surface illuminated by the sun and in the direction tangential to that surface, are also emphasized as crucial factors in governing the efficiency of solar cells. Electronic parameters for the set of differential equations characterizing transport, recombination, and generation of carriers, and interband and band-bound transition rates, are studied.

Lindholm, F. A.↗

DOE OSTI2020

Deep Generative Models that Solve PDEs: Distributed Computing for Training Large Data-Free Models

Recent progress in scientific machine learning (SciML) has opened up the possibility of training novel neural network architectures that solve complex partial differential equations (PDEs). Several (nearly data free) approaches have been recently reported that successfully solve PDEs, with examples including deep feed forward networks, generative networks, and deep encoder-decoder networks. However, practical adoption of these approaches is limited by the difficulty in training these models, especially to make predictions at large output resolutions (≥1024×1024). Here we report on a software framework for data parallel distributed deep learning that resolves the twin challenges of training these large SciML models - training in reasonable time as well as distributing the storage requirements. Our framework provides several out of the box functionality including (a) loss integrity independent of number of processes, (b) synchronized batch normalization, and (c) distributed higher-order optimization methods. We show excellent scalability of this framework on both cloud as well as HPC clusters, and report on the interplay between bandwidth, network topology and bare metal vs cloud. We deploy this approach to train generative models of sizes hitherto not possible, showing that neural PDE solvers can be viably trained for practical applications. We also demonstrate that distributed higher-order optimization methods are 2-3× faster than stochastic gradient-based methods and provide minimal convergence drift with higher batch-size.

PDEs↗

NASA NTRS2014

Low-Cost, Class D Testing of Spacecraft Photovoltaic Systems Can Reduce Risk

The end-to-end verification of a spacecraft photovoltaic power generation system requires light! Specifically, the standard practice for doing so is the Large Area Pulsed Solar Simulation (LAPSS). A LAPSS test can characterize a photovoltaic system's efficiency via its response to rapidly applied impulses of simulated sunlight. However, a Class D program on a constrained budget and schedule may not have the resources to ship an entire satellite for a LAPSS test alone. Such was the case with the Lunar Atmospheric and Dust Environment Explorer (LADEE) program, which was also averse to the risk of hardware damage during shipment. When the Electrical Power System (EPS) team was denied a spacecraft-level LAPSS test, the lack of an end-to-end power generation test elevated to a project-level technical risk. The team pulled together very limited resources to not only eliminate the risk, but build a process to monitor the health of the system through mission operations. We discuss a process for performing a low-cost, end-to-end test of the LADEE photovoltaic system. The approach combines system-level functional test, panel-level performance results, and periodic inspection (and repair) up until launch. Following launch, mission operations tools are utilized to assess system performance based on a scant amount of data. The process starts in manufacturing at the subcontractor. The panel manufacturer provides functional test and LAPSS data on each individual panel. We apply an initial assumption that the per-panel performance is sufficient to meet the power generation requirements. The manufacturer's data is also carried as the performance allocation for each panel during EPS system modeling and initial mission operations. During integration and test, a high-power, professional theater lamp system provides simulated sunlight to each panel on the spacecraft, thereby permitting a true end-to-end system test. A passing test results in a step response to nearly full-rated current at the appropriate solar array switch in the power system. A metal-halide bulb, infrared imagers, and onboard spacecraft measurements are utilized to minimize risk of thermal damage during test. Data is provided to support test results for both passing and marginal panels. Prior to encapsulation in the launch vehicle, each panel is inspected for damage by the panel manufacturer. Cracked cells or other damage is amended on-site. Because the photovoltaic test system is inexpensive and portable, each repaired panel can be re-verified immediately. Post-launch, the photovoltaic system is again characterized for per-panel deviations from the manufacturer's performance test. This proved especially tricky as the LADEE spacecraft performs only one current measurement on the entire array. The algorithm for Matlab tools to assess panel performance based on spacecraft attitude is discussed. While not as precise and comprehensive as LAPSS, the LADEE approach leverages minimal resources into an ongoing assessment program that can be applied through numerous stages of the mission. The project takes a true Class D approach in assessing the technical value of a spacecraft level performance test versus the programmatic risk of shipping the spacecraft to another facility. The resources required are a fraction of that for a LAPSS test, and is easy to repeat. Further, the test equipment can be handed down to future projects without building an on-site facility.

photovoltaic↗

DOE OSTI2026

Intelligent experiments through real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and future EIC detectors (Phase-I)

With an ever increasing demand for high precision data from modern detectors for discovery science and precision measurements, all major high energy nuclear and particle experiments, current and future, are facing the challenge on how to deal with the large volume of raw data generated from sophisticated state-of-the-art detectors in high rate collisions. These goals need to be balanced with available hardware and cost limits on DAQ (Data AcQuisition system) bandwidth and offline computing resources to capture, store and process the signal events. Two prototypical examples are the upcoming sPHENIX experiment, the DOE next generation heavy ion physics experiment at the Relativistic Heavy Ion Collider at BNL, and the future EIC experiments that are planned to be online circa 2030.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2017

Improvement of Automated POST Case Success Rate Using Support Vector Machines

During early conceptual design of complex systems, concept down selection can have a large impact upon program life-cycle cost. Therefore, any concepts selected during early design will inherently commit program costs and affect the overall probability of program success. For this reason it is important to consider as large a design space as possible in order to better inform the down selection process. For conceptual design of launch vehicles, trajectory analysis and optimization often presents the largest obstacle to evaluating large trade spaces. This is due to the sensitivity of the trajectory discipline to changes in all other aspects of the vehicle design. Small deltas in the performance of other subsystems can result in relatively large fluctuations in the ascent trajectory because the solution space is non-linear and multi-modal [1]. In order to help capture large design spaces for new launch vehicles, the authors have performed previous work seeking to automate the execution of the industry standard tool, Program to Optimize Simulated Trajectories (POST). This work initially focused on implementation of analyst heuristics to enable closure of cases in an automated fashion, with the goal of applying the concepts of design of experiments (DOE) and surrogate modeling to enable near instantaneous throughput of vehicle cases [2]. Additional work was then completed to improve the DOE process by utilizing a graph theory based approach to connect similar design points [3]. The conclusion of the previous work illustrated the utility of the graph theory approach for completing a DOE through POST. However, this approach was still dependent upon the use of random repetitions to generate seed points for the graph. As noted in [3], only 8% of these random repetitions resulted in converged trajectories. This ultimately affects the ability of the random reps method to confidently approach the global optima for a given vehicle case in a reasonable amount of time. With only an 8% pass rate, tens or hundreds of thousands of reps may be needed to be confident that the best repetition is at least close to the global optima. However, typical design study time constraints require that fewer repetitions be attempted, sometimes resulting in seed points that have only a handful of successful completions. If a small number of successful repetitions are used to generate a seed point, the graph method may inherit some inaccuracies as it chains DOE cases from the non-global-optimal seed points. This creates inherent noise in the graph data, which can limit the accuracy of the resulting surrogate models. For this reason, the goal of this work is to improve the seed point generation method and ultimately the accuracy of the resulting POST surrogate model. The work focuses on increasing the case pass rate for seed point generation.

Zwack, Matthew R.↗

NASA NTRS2007

Thermal Cycle Testing of the Powersphere Engineering Development Unit

During the past three years the team of The Aerospace Corporation, Lockheed Martin Space Systems, NASA Glenn Research Center, and ILC Dover LP have been developing a multifunctional inflatable structure for the PowerSphere concept under contract with NASA (NAS3-01115). The PowerSphere attitude insensitive solar power-generating microsatellite, which could be used for many different space and Earth science purposes, is ready for further refinement and flight demonstration. The development of micro- and nanosatellites requires the energy collection system, namely the solar array, to be of lightweight and small size. The limited surface area of these satellites precludes the possibility of body mounting the solar array system for required power generation. The use of large traditional solar arrays requires the support of large satellite volumes and weight and also requires a pointing apparatus. The current PowerSphere concept (geodetic sphere), which was envisioned in the late 1990 s by Mr. Simburger of The Aerospace Corporation, has been systematically developed in the past several years.1-7 The PowerSphere system is a low mass and low volume system suited for micro and nanosatellites. It is a lightweight solar array that is spherical in shape and does not require a pointing apparatus. The recently completed project culminated during the third year with the manufacturing of the PowerSphere Engineering Development Unit (EDU). One hemisphere of the EDU system was tested for packing and deployment and was subsequently rigidized. The other hemisphere was packed and stored for future testing in an uncured state. Both cured and uncured hemisphere components were delivered to NASA Glenn Research Center for thermal cycle testing and long-term storage respectively. This paper will discuss the design, thermal cycle testing of the PowerSphere EDU.

Curtis, Henry↗

DOE OSTI2020

A Hybrid-Learning Algorithm for Online Dynamic State Estimation in Multimachine Power Systems

With the increasing penetration of distributed generators in the smart grids, having knowledge of rapid real-time electromechanical dynamic states has become crucial to system stability control. Conventional Supervisory Control and Data Acquisition (SCADA)-based dynamic state estimation (DSE) techniques are limited by the slow sampling rates, while the emerging phasor measurement units (PMUs) technology enables rapid real-time measurements at network nodes. Using generator bus terminal voltages, we propose a hybrid-learning DSE (HL-DSE) algorithm to estimate the synchronous machine rotor angle and speed in real time. The HL-DSE takes the power system model into account and trains neuroestimators with real-time data in an online manner. Compared with traditional DSE methods, the HL-DSE overcomes limitations by using a data-driven approach in conjunction with the physical power system model. The time efficiency, accuracy, convergence, and robustness of the proposed algorithm are tested under noises and fault conditions in both small- and large-scale test systems. Simulation results show that the proposed HL-DSE is much more computationally efficient than widely used Kalman filter (KF)-based methods while maintaining comparable accuracy and robustness. In particular, HL-DSE is over 100 times faster than square-root unscented KF (SR-UKF) and 80 times faster than extended KF (EKF). The advantages and challenges of the HL-DSE are also discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2020

A Computer Program to Generate Tri-Truss Structures for On- and Off-Axis Telescope Dishes

The size of traditional space telescopes has been limited by the size of the launch vehicle shroud size. Designs of space telescopes with larger apertures and greater resolving power can be achieved with multiple launches incorporating modular elements and in-space assembly techniques. The modular elements of an in-space assembled telescope include segmented reflectors supported on an assembled truss structure. The modular truss structures are most commonly based on a tessellation of triangles across a reflector’s surface, and in some cases utilize deployable trusses to simplify in-space assembly. One design effort, the in-Space Assembled Telescope (iSAT), proposes the use of deployable “tri-truss” modules to form an off-set parabolic reflector. In support of the iSAT, a computer program was developed to tesselate tri-truss modules over a parabolic surface. Based on several user-defined variables, the program renders a tri-truss structure and generates a stereolithography file of the generated truss structure for three dimensional (3D) printing. In addition, due to the importance of packing efficiency for space launch, the program attempts to minimize unnecessary differences in strut lengths using a grade parameter based on previous work.

Structures↗

NASA NTRS1987

Performance characteristics of phased array and thinned aperture optical telescopes

While phased telescope arrays for general-purpose broadband imaging applications suffer severe sensitivity losses and field-of-view limitations, thinned-aperture telescopes consisting of a dilute, segmented primary mirror with a common secondary mirror are viable second-generation space telescope configurational possibilities yielding resolution and sensitivity an order of magnitude greater than those of the Hubble Space Telescope. Attention is given to thinned-aperture optical systems' image quality characterization problems; the 'practical resolution limit' image quality criterion proposed is defined as the reciprocal of the spatial frequency within which no zeros occur in the modulation transfer function.

Harvey, James E.↗

DOE OSTI2025

Effect of self-generated magnetic fields on x-ray emission in Kr-filled targets at the National Ignition Facility

We examine the effects of self-generated magnetic fields in a Kr gas pipe x-ray source platform. X-ray emission from Kr plasma is dependent on the plasma conditions, as the ionization state is largely a function of temperature. Magnetic fields are known to limit heat conduction, which increases temperature. We show that the emission in simulations of the gas pipe x-ray source is dependent on how self-generated magnetic fields are modeled. The inclusion of self-generated magnetic fields in simulations more accurately captures the emission of lower energy x-ray emission (L-shell), bringing results closer to experiments. The modeled x-ray emission and self-generated magnetic fields are shown to be particularly sensitive to the inclusion of the Nernst effect in simulations. Severely limiting the Nernst effect leads to a hotter Kr plasma, which can account for the discrepancy seen in earlier studies. By modifying the Nernst effect multiplier, we can achieve better experimental agreement in x-ray emission from gas pipes; the value of the multiplier that leads to the best agreement is dependent on the laser power of the drive. Currently, the suppression factor of the Nernst effect needed for high power drives (PL>200 TW) is more restrictive than what is currently put forward by non-local models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2012

Onboard Science and Applications Algorithm for Hyperspectral Data Reduction

An onboard processing mission concept is under development for a possible Direct Broadcast capability for the HyspIRI mission, a Hyperspectral remote sensing mission under consideration for launch in the next decade. The concept would intelligently spectrally and spatially subsample the data as well as generate science products onboard to enable return of key rapid response science and applications information despite limited downlink bandwidth. This rapid data delivery concept focuses on wildfires and volcanoes as primary applications, but also has applications to vegetation, coastal flooding, dust, and snow/ice applications. Operationally, the HyspIRI team would define a set of spatial regions of interest where specific algorithms would be executed. For example, known coastal areas would have certain products or bands downlinked, ocean areas might have other bands downlinked, and during fire seasons other areas would be processed for active fire detections. Ground operations would automatically generate the mission plans specifying the highest priority tasks executable within onboard computation, setup, and data downlink constraints. The spectral bands of the TIR (thermal infrared) instrument can accurately detect the thermal signature of fires and send down alerts, as well as the thermal and VSWIR (visible to short-wave infrared) data corresponding to the active fires. Active volcanism also produces a distinctive thermal signature that can be detected onboard to enable spatial subsampling. Onboard algorithms and ground-based algorithms suitable for onboard deployment are mature. On HyspIRI, the algorithm would perform a table-driven temperature inversion from several spectral TIR bands, and then trigger downlink of the entire spectrum for each of the hot pixels identified. Ocean and coastal applications include sea surface temperature (using a small spectral subset of TIR data, but requiring considerable ancillary data), and ocean color applications to track biological activity such as harmful algal blooms. Measuring surface water extent to track flooding is another rapid response product leveraging VSWIR spectral information.

Chien, Steve A.↗

DOE OSTI2024

Upper limit on the chiral magnetic effect in isobar collisions at the Relativistic Heavy-Ion Collider

The chiral magnetic effect (CME) is a phenomenon that arises from the QCD anomaly in the presence of an external magnetic field. The experimental search for its evidence has been one of the key goals of the physics program of the Relativistic Heavy-Ion Collider. The STAR Collaboration has previously presented the results of a blind analysis of isobar collisions ( Ru 44 96 + Ru 44 96 , Zr 40 96 + Zr 40 96 ) in the search for the CME. The isobar ratio ( Y ) of CME-sensitive observable, charge separation scaled by elliptic anisotropy, is close to but systematically larger than the inverse multiplicity ratio, the naive background baseline. This indicates the potential existence of a CME signal and the presence of remaining nonflow background due to two- and three-particle correlations, which are different between the isobars. In this postblind analysis, we estimate the contributions from those nonflow correlations as a background baseline to Y , utilizing the isobar data as well as Heavy Ion Jet Interaction Generator simulations. This baseline is found consistent with the isobar ratio measurement, and an upper limit of 10% at 95% confidence level is extracted for the CME fraction in the charge separation measurement in isobar collisions at s NN = 200 GeV. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Regional Real-Time PV Spinning Reserve Estimator

Curtailed photovoltaic (PV) generation is a zero-marginal-cost spinning reserve that can be used for a number of active power control services. Unlike traditional spinning reserve providers, however, i.e., fossil-fueled generators, which have well-defined operating characteristics, e.g., available headroom or potential high limit (PHL), PV plants have by nature variable and uncertain operating characteristics. To ensure the effective coordination between PV plants and the system operator during an active power control event, accurate knowledge of the PV PHL is essential. It ensures that enough headroom is reserved by the PV plants to deliver the award services in real time and informs feasible dispatch decisions made by the market operator. To tackle this challenge, a novel reference-control grouping-based PV plant reserve estimation method has been proposed by the National Renewable Energy Laboratory under past projects funded by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Solar Energy Technologies Office. The estimation method separates inverters within a plant into two groups: a control group and a reference group. While the reference group is reserved to operate at its PHL, the control group can be curtailed to provide the grid services. Real-time outputs from the reference inverters are used to estimate the PHL for the whole plant based on the ratio between capacities of the reference group and of the plant. This work further enhances the methodology by (1) improving the model accuracy through machine learning; (2) automating the reference inverter selection through correlation analysis; (3) considering estimation look-ahead windows; and (4) applying to regional spinning reserve estimation. Significant performance improvement has been observed based on real-world data collected by CAISO, Southern Company, and Terabase Energy. Compared with the original scaling method, the newly proposed machine learning-based approach reduces the estimation errors by 30% and 13% at the plant level and region level, respectively. Results obtained from this project are intended to be used by grid operators, market operators, balancing authorities, and PV plant owners and operators to facilitate PV participation in ancillary service markets. Regulators, policymakers, and system planners can also consider the results of this work in their decision-making processes. In addition to the performance improvement on the existing reference-control based grouping method, we also investigated how the variability of PV generation from a single PV inverter can be used to represent the variability of PV generation at the plant level.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Switching speed limits in electrically driven VO 2 structural Mott–Peierls transition

Mott materials are archetypal quantum systems actively explored as next-generation electronic and photonic platforms, with potential applications spanning non-Von Neumann computing, robotics, energy storage, and microwave technologies. Among these, vanadium dioxide (VO 2 ) has emerged as one of the most intensively studied compounds, owing to its sharp, near-room-temperature insulator-to-metal phase transition. VO 2 also serves as a benchmark system for testing cutting-edge theories and experimental techniques. Here, we directly visualize the electrically driven transition dynamics in VO 2 using a microwave-driven, frequency-tunable pulsed transmission electron microscope that combines nanometer spatial and picosecond temporal resolution. Under high-frequency (MHz–GHz) excitation, we capture the ultrafast nucleation, propagation, and dissolution of metallic domains within an operating device over millions of reversible cycles. We observe the ultrafast formation of consistent metallic nuclei beneath the electrodes, followed by the propagation of a structural phase front at 4.54 nm/ns. Our experiments show that phonon-mediated structural recovery ultimately limits reversible switching of VO 2 at GHz frequencies, and that a tunable regime for reversible operation spans from kHz to GHz through device engineering. Beyond VO 2 , our approach provides a powerful framework for probing non-equilibrium structural transformations in correlated and functional materials under realistic electrical stimuli.

36 MATERIALS SCIENCE↗