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DOE OSTI2023

High-speed mapping of surface charge dynamics using sparse scanning Kelvin probe force microscopy

Unraveling local dynamic charge processes is vital for progress in diverse fields, from microelectronics to energy storage. This relies on the ability to map charge carrier motion across multiple length- and timescales and understanding how these processes interact with the inherent material heterogeneities. Towards addressing this challenge, we introduce high-speed sparse scanning Kelvin probe force microscopy, which combines sparse scanning and image reconstruction. This approach is shown to enable sub-second imaging (>3 frames per second) of nanoscale charge dynamics, representing several orders of magnitude improvement over traditional Kelvin probe force microscopy imaging rates. Bridging this improved spatiotemporal resolution with macroscale device measurements, we successfully visualize electrochemically mediated diffusion of mobile surface ions on a LaAlO 3 /SrTiO 3 planar device. Such processes are known to impact band-alignment and charge-transfer dynamics at these heterointerfaces. Furthermore, we monitor the diffusion of oxygen vacancies at the single grain level in polycrystalline TiO 2 . Through temperature-dependent measurements, we identify a charge diffusion activation energy of 0.18 eV, in good agreement with previously reported values and confirmed by DFT calculations. Together, these findings highlight the effectiveness and versatility of our method in understanding ionic charge carrier motion in microelectronics or nanoscale material systems.

25 ENERGY STORAGE↗

DOE OSTI2024

Operando Raman spectroscopy uncovers hydroxide and CO species enhance ethanol selectivity during pulsed CO 2 electroreduction

Pulsed CO 2 electroreduction (CO 2 RR) has recently emerged as a facile way to in situ tune the product selectivity, in particular toward ethanol, without re-designing the catalytic system. However, in-depth mechanistic understanding requires comprehensive operando time-resolved studies to identify the kinetics and dynamics of the electrocatalytic interface. Here, we track the adsorbates and the catalyst state of pre-reduced Cu 2 O nanocubes (~30 nm) during pulsed CO 2 RR using sub-second time-resolved operando Raman spectroscopy. By screening a variety of product-steering pulse length conditions, we unravel the critical role of co-adsorbed OH and CO on the Cu surface next to the oxidative formation of Cu-O ad or CuO x /(OH) y species, impacting the kinetics of CO adsorption and boosting the ethanol selectivity. However, a too low OH ad coverage following the formation of bulk-like Cu 2 O induces a significant increase in the C 1 selectivity, while a too high OH ad coverage poisons the surface for C-C coupling. Thus, we unveil the importance of co-adsorbed OH on the alcohol formation under CO 2 RR conditions and thereby, pave the way for improved catalyst design and operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Broadband X-ray burst spectroscopy of the fast-radio-burst-emitting Galactic magnetar

Magnetars are young, magnetically powered neutron stars that possess the strongest magnetic fields in the Universe. Fast radio bursts (FRBs) are extremely intense millisecond-long radio pulses of primarily extragalactic origin, and a leading attribution for their genesis focuses on magnetars. A hallmark signature of magnetars is their emission of bright, hard X-ray bursts of sub-second duration. On 27 April 2020, the Galactic magnetar SGR J1935+2154 emitted hundreds of X-ray bursts within a few hours. One of these temporally coincided with an FRB, the first known detection of an FRB from the Milky Way. Here, we present spectral and temporal analyses of 24 X-ray bursts emitted 13 hours prior to the FRB and seen simultaneously with the Neutron Star Interior Composition Explorer (NICER) mission of the National Aeronautics and Space Administration and with the Fermi Gamma-ray Burst Monitor (GBM) mission in their combined energy range of 0.2 keV to 30 MeV. These broadband spectra permit direct comparison with the spectrum of the FRB-associated X-ray burst (FRB-X). We demonstrate that all 24 NICER and GBM bursts are very similar temporally to the FRB-X, but strikingly different spectrally. The singularity of the FRB-X burst is perhaps indicative of an uncommon locale for its origin. We suggest that this event originated in quasi-polar open or closed magnetic field lines that extend to high altitudes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Liquid phase epitaxy of binary III–V nanocrystals in thin Si layers triggered by ion implantation and flash lamp annealing

The integration of III–V compound semiconductors in Si is a crucial step towards faster and smaller devices in future technologies. In this work, we investigate the formation process of III–V compound semiconductor nanocrystals, namely, GaAs, GaSb, and InP, by ion implantation and sub-second flash lamp annealing in a SiO{sub 2}/Si/SiO{sub 2} layer stack on Si grown by plasma-enhanced chemical vapor deposition. Raman spectroscopy, Rutherford Backscattering spectrometry, and transmission electron microscopy were performed to identify the structural and optical properties of these structures. Raman spectra of the nanocomposites show typical phonon modes of the compound semiconductors. The formation process of the III–V compounds is found to be based on liquid phase epitaxy, and the model is extended to the case of an amorphous matrix without an epitaxial template from a Si substrate. It is shown that the particular segregation and diffusion coefficients of the implanted group-III and group-V ions in molten Si significantly determine the final appearance of the nanostructure and thus their suitability for potential applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Quasi-steady testing approach for high-power Hall thrusters

Hall effect thrusters operating at power levels in excess of several hundreds of kilowatts have been identified as enabling technologies for applications such as lunar tugs, large satellite orbital transfer vehicles, and solar system exploration. These large thrusters introduce significant testing challenges due to the propellant flow rate exceeding the pumping speed available in most laboratories. Even with proposed upgrades in mind, the likelihood that multiple vacuum facilities will exist in the near future to allow long duration testing of high-power Hall thrusters operating at power levels in excess of 100 kW remains extremely low. In this article, we numerically explore the feasibility of testing Hall thrusters in a quasi-steady mode defined by pulsing the mass flow rate between a nominal and a low value. Here, our simulations indicate that sub-second durations available before the chamber reaches critical pressure are sufficiently long to achieve the steady-state current and flow field distributions, allowing us to characterize thruster performance and the near plume region.

42 ENGINEERING↗

DOE OSTI2018

TomoBank: a tomographic data repository for computational x-ray science

There is a widening gap between the fast advancement of computational methods for tomographic reconstruction and their successful implementation in production software at various synchrotron facilities. This is due in part to the lack of readily available instrument datasets and phantoms representative of real materials for validation and comparison of new numerical methods. Recent advancements in detector technology made sub-second and multi-energy tomographic data collection possible [1], but also increased the demand to develop new reconstruction methods able to handle in-situ [2] and dynamic systems [3] that can be quickly incorporated in beamline production software [4]. The X-ray Tomography Data Bank, tomoBank, provides a repository of experimental and simulated datasets with the aim to foster collaboration among computational scientists, beamline scientists, and experimentalists and to accelerate the development and implementation of tomographic reconstruction methods for synchrotron facility production software by providing easy access to challenging dataset and their descriptors.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2024

Time-resolved cryogenic electron tomography for the study of transient cellular processes

Cryogenic electron tomography (cryo-ET) is the highest resolution imaging technique applicable to the life sciences, enabling sub-nanometer visualization of specimens preserved in their near native states. The rapid plunge freezing process used to prepare samples lends itself to time-resolved studies, which researchers have pursued for in vitro samples for decades. Here, we focus on developing a freezing apparatus for time-resolved studies in situ. The device mixes cellular samples with solution-phase stimulants before spraying them directly onto an electron microscopy grid that is transiting into cryogenic liquid ethane. By varying the flow rates of cell and stimulant solutions within the device, we can control the reaction time from tens of milliseconds to over a second prior to freezing. In a proof-of-principle demonstration, the freezing method is applied to a model bacterium, Caulobacter crescentus, mixed with an acidic buffer. Through cryo-ET we resolved structural changes throughout the cell, including surface-layer protein dissolution, outer membrane deformation, and cytosolic rearrangement, all within 1.5 seconds of reaction time. This new approach, Time-Resolved cryo-ET (TR-cryo-ET), enhances the capabilities of cryo-ET by incorporating a sub-second temporal axis and enables the visualization of induced structural changes at the molecular, organelle, or cellular level.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Maintaining Balance: The Increasing Role of Energy Storage for Renewable Integration

For nearly a century, global power systems have focused on three key functions: generating, transmitting, and distributing electricity as a real-time commodity. Physics requires that electricity generation always be in real-time balance with load-despite variability in load on time scales ranging from subsecond disturbances to multiyear trends. With the increasing role of variable generation from wind and solar, the retirement of fossil-fuel-based generation, and a changing consumer demand profile, grid operators are using new methods to maintain this balance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Optimization Simulations for a Gamma-Ray Calibration Standard for a Cyclic Neutron Activation Analysis Pneumatic System at the Penn State Breazeale Reactor

For new experimental setups, the initial testing and calibrations can be expensive and time consuming without prior optimization. However, these issues can be mitigated using realistic modeling and simulation studies of the proposed system a priori. Specifically, an experiment can be performed virtually using realistic simulations and the expected results evaluated to inform adjustments of the experimental setup to achieve optimum results. At the Penn State Breazeale Reactor, a new pneumatic transfer system has been developed for the detection and characterization of short-lived fission fragments to enhance and complement existing nuclear data. The system accomplishes this task by transporting samples cyclically between an assortment of gamma-ray/neutron detectors and the reactor-core vicinity with sub-second transit times. The measured neutron flux paired with simulations of detector response using Geant4 and a custom module for estimating cascade summing effects and corrections were used to select sample-material masses for system characterization. With the optimized sample masses, an experimental counting plan for characterizing the repeatability of the newly developed pneumatic system was developed. Finally, the predictions made with these simulations allowed for optimization of the irradiation sample characteristics and gamma-ray detection system.

cyclic neutron activation, gamma-ray spectroscopy↗

DOE OSTI2021

Simulation of PV Variability as a Function of PV Generation and Plant Size

The deployment of photovoltaic (PV) systems continues to show significant expansion; however, this growth has brought added attention to issues around the variability of the solar resource. Both spatial and temporal variability exist. Temporal scales can range from the sub-second to multiyear, whereas spatial scales can range from a few meters to tens of kilometers. There are multiple methods described in the literature to quantify PV variability at various spatial and temporal scales. This study focuses on short-term temporal variability and uses similar approaches with the addition of PV plant size a parameter to quantify variability. The method employed here incorporates the normalization of clear-and cloudy-sky conditions and PV plant size to quantify nominal variability metrics. The distribution and fluctuations of these metrics provide relevant information that is useful for system operations. The National Solar Radiation Database (NSRDB) is used to simulate PV variability as a function of PV generation and plant size. Hypothetical but realistic system information at 33 locations is used to model PV generation by feeding NSRDB solar irradiance data to the National Renewable Energy Laboratory’s System Advisor Model (SAM). Over the selected region, it is found that the aggregated ramp rates for the 1-minute data are associated with standard deviations ranging from 0.002–0.055 on a daily basis; however, hourly intervals induce higher aggregated ramp rates than the other timescales. Even though minute-to-minute variations are significant for the 1-minute time-scale, the standard deviation aggregated into a daily metric is smaller because of the cancellation of values.

irradiance↗

DOE OSTI2022

Hierarchical Control of Megawatt-Scale Charging Stations for Electric Trucks with Distributed Energy Resources

Electrifying medium- and heavy-duty trucks is critical to decarbonizing the transportation sector. Energy needs of electric trucks will likely require megawatt-scale charging stations, which could significantly stress the electric distribution grid. Distributed energy resources (DER) can alleviate this stress and reduce charging costs with proper management. To that end, this work develops a hierarchical predictive control algorithm for future multi-port megawatt-scale charging stations that can provide real-time energy management for stations, decide charging rates, dispatch energy storage system (ESS), and provide grid voltage support. We integrate three algorithmic components: (i) an energy management optimization (EMO) that provides supervisory control to DER assets and charging loads at minute scale, (ii) a real-time energy management system (RT-EMS) that heuristically compensates for fast disturbances at sub-second scale, and (iii) a model predictive control (MPC)-based battery management system (BMS) that communicates future charging demands to the EMO, to manage the overall megawatt-scale site. Additionally, validation in a controller hardware-in-the-loop (CHIL) environment shows that the hierarchical controller can reduce the total energy consumption from the grid by approximately 28% compared to an uncontrolled case for the station configuration in this paper, without impacting charging time.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Nonsteady Load Responses of Wind Turbines to Atmospheric and Mountain-Generated Turbulence Eddies, With Impacts on the Main Bearing: A Validation Study

Previous computational and field experiments identify three characteristic time scales in the aerodynamic responses of utility-scale wind turbine loads to atmospheric boundary layer (ABL) turbulence: a 30-90 second time scale for the passage of high/low speed "streaks" through the rotor plane, the blade and rotor rotation time scales (approximately 1 to 5 seconds), and a sub-second time scale created by blade rotation through gradients within eddy coherent structure. In the current study we compare aerodynamic load responses from daytime ABL turbulence quantified with large-eddy simulation and a actuator line model of the NREL 5 MW wind turbine with analysis of field data from the NREL/GE 1.5 MW wind turbine 5 kilometers east of the Rocky Mountain Front Range in Colorado. In addition, we contrast the responses to the passage of the mountain-generated eddies embedded within the westerly winds with the ABL eddies embedded within northerly/southerly winds. These analyses are in context with the nonsteady forcing of the main bearing by the aerodynamic generation of nontorque bending moments on the main shaft. Potentially relevant to main bearing failure mechanisms, both computational and field data show that the magnitudes of turbulence-generated nontorque bending moments, that we show generate nonsteady force on the main bearing, are of order, and often larger than, torque (which underlies power). However, the temporal variations in these two responses are uncorrelated, implying that the aerodynamic mechanisms that drive power and main bearing response are fundamentally different. We find this to be the case in the field with both mountain-generated eddies (westerly winds) and ABL-generated eddies (northerly/southerly winds). Whereas the time and length scales are comparable, the mountain eddies were somewhat more energetic than the northerly/southerly ABL eddies. Interestingly, however, the fluctuations in nontorque bending moment that force the main bearing were found to be stronger when forced by the ABL eddies than the mountain eddies. The field studies validate the key results from the computational study and show even stronger response in the nontorque bending moment than in the computer simulations. In all cases, the torque and nontorque bending moments are temporally uncorrelated, torque and power are driven by time variations in rotor-averaged horizontal wind velocity and nontorque bending moments are driven by time changes in the degree of nonuniformity in the distribution of velocity over the rotor plane. Thus the results generalize the mechanisms underlying nonsteady aerodynamic forcing to classes of turbulence eddy types with strength of order or stronger than ABL eddies with transverse scale of order the wind turbine rotor. These include atmospheric turbulence eddies, topography-generated turbulence eddies and, by extension, impacts of turbine-wake-scale turbulence eddies on downstream wind turbine rotors.

17 WIND ENERGY↗

DOE OSTI2026

Multi-physics Preconditioning for Thermally Activated Batteries

Thermal batteries, also known as molten-salt batteries, are single-use reserve power systems activated by pyrotechnic heat generation, which transitions the solid electrolyte into a molten state. The simulation of these batteries relies on multiphysics modeling to evaluate performance and behavior under various conditions. This paper presents advancements in scalable preconditioning strategies for the Thermally Activated Battery Simulator (TABS) tool, enabling efficient solutions to the coupled electrochemical systems that dominate computational costs in thermal battery simulations. We propose a hierarchical block Gauss-Seidel preconditioner implemented through the Teko package in Trilinos, which effectively addresses the challenges posed by tightly coupled physics, including charge transport, porous flow, and species diffusion. The preconditioner leverages scalable subblock solvers, including smoothed aggregation algebraic multigrid (SA-AMG) methods and domain-decomposition techniques, to achieve robust convergence and parallel scalability. Strong and weak scaling studies demonstrate the solver’s ability to handle problem sizes up to 51.3 million degrees of freedom on 2048 processors, achieving near sub-second setup and solve times for the end-to-end electrochemical solve. These advancements significantly improve the computational efficiency and turnaround time of thermal battery simulations, paving the way for higher-resolution models and enabling the transition from 2D axisymmetric to full 3D simulations.

25 ENERGY STORAGE↗

DOE OSTI2026

Testing and Validation of Wireless Communication Architecture for Heliostat Fields: SIPS Final Report

This work focuses on the development and testing of a low-cost wireless communication system for heliostat fields, enabling significant capital costs reductions for concentrating solar thermal systems. Outputs of this work include a working demonstration of a multi-node communication system, clear reporting of system performance, and technical documentation of system development and architecture for reproducibility. Through this process, an open-source repository was created for manufacturing hardware at ~$30/heliostat. The system includes software for cybersecurity, achieving sub-second communication latencies and derisking of hardware for eventual scale-up to tens of thousands of heliostats. While the system is not currently off-the-shelf ready, there is now a clearly defined pathway for scaling up and completing the commercial development process.

14 SOLAR ENERGY↗

DOE OSTI2018

Fast Grid Frequency Support from Distributed Inverter-Based Resources

This presentation summarizes power hardware-in-the-loop testing performed to evaluate the ability of distributed inverter-coupled generation to support grid frequency on the fastest time scales. The research found that distributed PV inverters and other DERs can effectively support the grid on sub-second time scales.

14 SOLAR ENERGY↗

DOE OSTI2021

Simulation of PV Variability as a Function of PV Generation and Plant Size: Preprint

The deployment of photovoltaic (PV) systems continues to show significant expansion; however, this growth has brought added attention to issues around the variability of the solar resource. Both spatial and temporal variability exist. Temporal scales can range from the sub-second to multiyear, whereas spatial scales can range from a few meters to tens of kilometers. There are multiple methods described in the literature to quantify PV variability at various spatial and temporal scales. This study focuses on short-term temporal variability and uses similar approaches with the addition of PV plant size a parameter to quantify variability. The method employed here incorporates the normalization of clear- and cloudy-sky conditions and PV plant size to quantify nominal variability metrics. The distribution and fluctuations of these metrics provide relevant information that is useful for system operations. The National Solar Radiation Database (NSRDB) is used to simulate PV variability as a function of PV generation and plant size. Hypothetical but realistic system information at 33 locations is used to model PV generation by feeding NSRDB solar irradiance data to the National Renewable Energy Laboratory’s System Advisor Model (SAM). Over the selected region, it is found that the aggregated ramp rates for the 1-minute data are associated with standard deviations ranging from 0.002–0.055 on a daily basis; however, hourly intervals induce higher aggregated ramp rates than the other timescales. Even though minute-to-minute variations are significant for the 1-minute timescale, the standard deviation aggregated into a daily metric is smaller because of the cancellation of values.

41 EE - Solar Energy Technologies Office (EE-4S)↗

DOE OSTI2022

Quantifying the Value of Grid-Interactive Efficient Buildings through Field Study: Preprint

Quantifying the annual energy impacts of efficient technologies in commercial buildings has been well established by the building science field. As we move toward enabling grid-interactive efficient buildings (GEB) targeting flexible building operation and carbon reduction, quantification methods to evaluate time-sensitive peak load and emissions impact are much less defined. A number of national laboratories are working to field validate four different GEB software solutions that provide the capability to control multiple building end-use systems in multiple load flexibility modes (i.e., energy efficiency, load shed, load shift, and possible load modulation at the second to sub-second level). To guide the laboratory leads in effective measurement and verification (M&V) practices, two of the laboratories collaborated to define metrics to quantify the impacts of flexible load control on building demand, utility costs, carbon emissions, facility management, and occupant comfort. This paper summarizes the proposed metrics to quantify peak load and emission impacts in the field, decision parameters, approaches to accurately conduct M&V, lessons learned, and outstanding needs and next steps.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗

DOE OSTI2022

Quantifying the Value of Grid-Interactive Efficient Buildings through Field Study

Langner, Rois↗