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DOE OSTI2020

Near-Zero Power MOF-Based Sensors for NO 2 Detection

Detection and capture of toxic nitrogen oxides (NO x ) is important for emissions control of exhaust gases and general public health. The ability to directly electrically detect trace (0.5–5 ppm) NO 2 by a metal–organic framework (MOF)-74-based sensor at relatively low temperatures (50 °C) is demonstrated via changes in electrical properties of M-MOF-74, M = Co, Mg, Ni. The magnitude of the change is ordered Ni > Co > Mg and explained by each variant's NO 2 adsorption capacity and specific chemical interaction. Ni-MOF-74 provides the highest sensitivity to NO 2 ; a 725× decrease in resistance at 5 ppm NO2 and detection limit <0.5 ppm, levels relevant for industry and public health. Furthermore, the Ni-MOF-74-based sensor is selective to NO 2 over N 2 , SO 2 , and air. Linking this fundamental research with future technologies, the high impedance of MOF-74 enables applications requiring a near-zero power sensor or dosimeter, with the active material drawing <15 pW for a macroscale device 35 mm 2 with 0.8 mg MOF-74. Finally, this represents a 10 4 –10 6 × decrease in power consumption compared to other MOF sensors and demonstrates the potential for MOFs as active components for long-lived, near-zero power chemical sensors in smart industrial systems and the internet of things.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site

We report the catalytic power of an electric field depends on its magnitude and orientation with respect to the reactive chemical species. Understanding and designing new catalysts for electrostatic catalysis thus requires methods to measure the electric field orientation and magnitude at the molecular scale. We demonstrate that electric field orientations can be extracted using a two-directional vibrational probe by exploiting the vibrational Stark effect of both the C=O and C–D stretches of a deuterated aldehyde. Combining spectroscopy with molecular dynamics and electronic structure partitioning methods, we demonstrate that, despite distinct polarities, solvents act similarly in their preference for electrostatically stabilizing large bond dipoles at the expense of destabilizing small ones. In contrast, we find that for an active-site aldehyde inhibitor of liver alcohol dehydrogenase, the electric field orientation deviates markedly from that found in solvents, which provides direct evidence for the fundamental difference between the electrostatic environment of solvents and that of a preorganized enzyme active site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

High power targets: Challenges of next-generation high-intensity neutrino beams

High power target systems are crucial elements in enabling future neutrino and other rare particle beams. These systems transform intense source of protons into secondary particles of interest to enable new scientific discoveries. As primary beam intensities increase in next-generation multi-megawatt accelerator facilities, high power target systems face key challenges. Thermal shock and radiation damage effects in beam-intercepting devices were identified as the leading cross-cutting challenges of high-power target facilities. Target materials R&D to address these challenges are therefore essential to enable and ensure reliable operation of future accelerator target facilities. This paper provides an overview of the R&D activities underway to help support high power target systems development for next-generation multi-MW facilities.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Offshore lightning more active and intense in U.S. East Coast wind areas than in North Sea

Fast winds over open areas off the U.S. East Coast resulted in many offshore areas being opened for wind power deployment. Yet lightning is active in this same general area. Lightning damage has been noted as the leading cause of unplanned downtime of wind farms. Here we use lightning observations from 2020–2022 to quantify lightning activity—U.S. East Coast Wind Lease and Wind Planning areas received about 14-times the lightning strokes and about 18-times the energy transfer compared to the operational wind farms in the North Sea. A strong north-south U.S. gradient of lightning exists : low off the coast of Maine, growing higher off Chesapeake Bay, and high south of Virginia. Very high lightning activity also occurs about 250 km from the U.S. coastline, which is 50–100 km outside currently designated Wind Areas but likely relevant to planning floating wind farms further from shore. International lightning protection standards, such as IEC 614200-24, use lightning stroke density and turbine top-height to estimate damage to wind turbines, but it remains unclear if such standards could protect U.S. offshore wind turbines in active lightning areas where the turbine top-height can be 100 m taller than the next tallest object for tens to hundreds of kilometers. This analysis suggests U.S. East Coast offshore wind farms will be subjected to much higher lightning stroke and lightning energy densities than the North Sea counterparts. Preparing the turbine designs in anticipation of these more active U.S. lightning risks will help foster wind’s growing contribution to a reliable and resilient low-carbon energy future.

lightning↗

DOE OSTI2023

High Efficiency 2-Bladed Utility Wind Turbine Enhanced by CoFlow Jet Active Flow Control

The aerodynamic performance and power output of a high efficiency Co-Flow Jet (CFJ) 2-bladed Wind Turbine is studied in this paper. CFJ is a Zero-Net-Mass-Flux (ZNMF) active flow control method that dramatically increases airfoil lift coefficient and suppresses flow separation at a low energy expenditure. The 3D Reynolds Averaged Navier-Stokes (RANS) equations with one-equation Spalart-Allmaras (SA) turbulence model are solved to simulate the 3D flows of the wind turbines. The CFJ-Wind Turbine in this paper is modified from the NREL 3-bladed 3.4 MW reference wind turbine with the same RPM, blade length, distribution of chord, twist, and bending. The CFJ 2-bladed wind turbine utilizes the CFJ-NACA 64 series airfoils at most of the blade span from 31.88\% to the tip. The CFJ injection and suction slots are implemented along the full blade span to enhance the effectiveness and power output. The study shows that the 2-bladed CFJ turbine significantly increases power output compared with the 3-bladed baseline turbine at all wind speeds by 15.8\% at the wind speed of 9.8 m/s and by 25.9\% at 4 m/s respectively. The efficiency enhancement is substantially more at the low wind speed than at high wind speed. This would be very beneficial to increase the annual power output or capacity factor as wind turbines work at the speeds lower than the rated speed for most of the time. The results show that the flow field around the blade surface presents a significant enhanced suction peak near the blade leading edge, which results in a very high tangential force and thus increased wind turbine net power coefficient. Consistent with the previous study for the small NREL Phase VI research wind turbine, this paper demonstrates that CFJ 2-bladed wind turbine is an effective technology to extract more power from the wind at all speeds. This study is just an initial effort to demonstrate the advantage of the CFJ blade with no design optimization. It is believed that there is more potential to further enhance the efficiency improvement.

active flow control↗

DOE OSTI2023

Amino-tethering synthesis strategy toward highly accessible sub-3-nm L1 0 -PtM catalysts for high-power fuel cells

Because of the poor accessibility of embedded active sites, platinum (Pt)-based electrocatalysts suffer from insufficient Pt utilization and mass transport in membrane electrode assemblies (MEAs), limiting their performance in polymer electrolyte membrane fuel cells. Here, we report a simple and universal approach to depositing sub-3-nm L1 0 -PtM nanoparticles over external surfaces of carbon supports through pore-tailored amino (NH 2 )-modification, which enables not only excellent activity for the oxygen reduction reaction, but also enhanced Pt utilization and mass transport in MEAs. Using a low loading of 0.10 mg Pt ∙cm -2 , the MEA of PtCo/KB-NH 2 delivered an excellent mass activity of 0.691 A∙mgPt -1 , a record-high power density of 0.96 W∙cm -2 at 0.67 V, and only a 30-mV drop at 0.80 A∙cm -2 after 30,000 voltage cycles, which meets nearly all targets set by the Department of Energy. Finally, this work provides an efficient strategy for designing advanced Pt-based electrocatalysts and realizing high-power fuel cells.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

The value of wake steering wind farm flow control in US energy markets

Abstract. Wind farm flow control represents a category of control strategies for achieving wind-plant-level objectives, such as increasing wind plant power production and/or reducing structural loads, by mitigating the impact of wake interactions between wind turbines. Wake steering is a wind farm flow control technology in which specific turbines are misaligned with the wind to deflect their wakes away from downstream turbines, thus increasing overall wind plant power production. In addition to promising results from simulation studies, wake steering has been shown to successfully increase energy production through several recent field trials. However, to better understand the benefits of wind farm flow control strategies such as wake steering, the value of the additional energy to the electrical grid should be evaluated – for example, by considering the price of electricity when the additional energy is produced. In this study, we investigate the potential for wake steering to increase the value of wind plant energy production by combining model predictions of power gains using the FLOw Redirection and Induction in Steady State (FLORIS) engineering wind farm flow control tool with historical electricity price data for 15 existing US wind plants in four different electricity market regions. Specifically, for each wind plant, we use FLORIS to estimate power gains from wake steering for a time series of hourly wind speeds and wind directions spanning the years 2018–2020, obtained from the ERA5 reanalysis dataset. The modeled power gains are then correlated with hourly electricity prices for the nearest transmission node. Through this process we find that wake steering increases annual energy production (AEP) between 0.4 % and 1.7 %, depending on the wind plant, with average increases in potential annual revenue (i.e., annual revenue of production, ARP) 4 % higher than the AEP gains. For most wind plants, ARP gain was found to exceed AEP gain. But the ratio between ARP gain and AEP gain is greater for wind plants in regions with high wind penetration because electricity prices tend to be relatively higher during periods with below-rated wind plant power production, when wake losses occur and wake steering is active; for wind plants in the Southwest Power Pool – the region with the highest wind penetration analyzed (31 %) – the increase in ARP from wake steering is 11 % higher than the AEP gain. Consequently, we expect the value of wake steering, and other types of wind farm flow control, to increase as wind penetration continues to grow.

17 WIND ENERGY↗

DOE OSTI2025

Integrated structural dynamics uncover new modes of B12 photoreceptor activation

**SACLA** A crystallographic pump-power titration was first carried-out with pump laser fluences of 12, 30, 60 and 120 uJ.cm-2 and a time delay of 3 us. Then, a time-series was performed with a pump-laser fluence of 30 uJ.cm-2 (~2.4 absorbed photon per chromophore) and time-delays of 10 ns, 300 ns, 3 µs, 100 us and 3 ms. Finally, two time-delays (10 ns and 3 us) were collected with a pump laser fluence of 12 uJ.cm-2. Raw images, crystFEL streams and merged mtzs are available for all collected dat **SwissFEL** A time series with a pump laser fluence of 30 mJ.cm-2 was performed at time delys of 3 µs and 10 ms. Raw images, crystFEL streams and merged mtzs are available for all collected datasets. Refined detector geometry for each experimental campaign is also provided (crystFEL format)

RIOS-SANTACRUZ, Ronald↗

DOE OSTI2025

Integrated structural dynamics uncover new modes of B12 photoreceptor activation

**SACLA** A crystallographic pump-power titration was first carried-out with pump laser fluences of 12, 30, 60 and 120 ??J.cm-2 and a time delay of 3 ??s. Then, a time-series was performed with a pump-laser fluence of 30 ??J.cm-2 (~2.4 absorbed photon per chromophore) and time-delays of 10 ns, 300 ns, 3 ??s, 100 ??s and 3 ms. Finally, two time-delays (10 ns and 3 ??s) were collected with a pump laser fluence of 12 ??J.cm-2. Raw images, crystFEL streams and merged mtzs are available for all collected dat **SwissFEL** A time series with a pump laser fluence of 30 mJ.cm-2 was performed at time delys of 3 ??s and 10 ms. Raw images, crystFEL streams and merged mtzs are available for all collected datasets. Refined detector geometry for each experimental campaign is also provided (crystFEL format)

RIOS-SANTACRUZ, Ronald↗

DOE OSTI2024

Simple and Robust Carrier-Based PWM Technique for Single-Stage Three-phase Rectifier Indirect Matrix Converter

Indirect matrix converters (IMC) can offer high efficiency, high power density, and bidirectional power flow capability with a single-stage three-to single-phase AC-AC power conversion integrating a conventional three-phase active rectifier with a primary side full-bridge inverter of a dual active bridge converter. However, the IMCs generally require space vector modulation techniques, leading to complex sectors and dwell times calculations. A practical implementation of the modulation methods with a commonly used digital signal processor becomes even more challenging when considering power factor correction, harmonics reduction, and deadtime between sector transitions. This paper proposes a simple and robust carrier-based pulse width modulation (PWM) technique determined through a voltage-source inverter (VSI) to current-source inverter (CSI) to IMC conversion. This translation enables the adoption of all conventional VSI control methods with active and reactive power control in the IMCs through simple carrier and reference waveform comparison. The VSI vectors are first one-on-one matched with CSI vectors and translated to IMC modulation signals without calculating sectors and dwell times. Nine different carrier waveforms are proposed, and the converter performance is analyzed. Grid current THD and efficiency are estimated for each modulation method. The symmetric A and B methods had the lowest THD of the grid current, 2.80%, and the efficiency remained at approximately 98.3%, making it the most suitable carrier-based method proposed in this paper. The space vector PWM (SVPWM) modulation method was implemented to the DSP and generated the expected twelve gate signals.

Benson, Mikayla↗

DOE OSTI2020

High‐Efficiency Organic Solar Cells with Wide Toleration of Active Layer Thickness

Industrial printing production of organic solar cells (OSCs) requires high power conversion efficiency (PCE) with wide toleration of active layer thickness. Herein, high‐efficiency thick‐film OSCs are demonstrated using a polymer fibril network strategy (FNS), which involves a donor polymer (PT2) that can self‐assemble into fibril nanostructure, and two nonfullerene acceptors with different crystalline properties. The fibril network can form a high‐speed hole transport channel and the addition of IDIC as a third component in active layers can improve the electron transport. As a result, the OSCs show high PCEs of ≈12% with wide toleration of active layer thickness (from 100 to 500 nm). The results indicate that FNS is a promising approach for the fabrication of highly efficient thick‐film PSCs, which can facilitate the commercialization of OSCs.

Weng, Kangkang↗

DOE OSTI2022

U.S. Efforts in Support of Examinations at Fukushima Daiichi (November 2021 Meeting Notes with Updated Information Requests)

Information obtained from Fukushima Daiichi Nuclear Power Station (Daiichi) is required to inform future Decontamination and Decommissioning (D&D) activities, improving the ability of the Tokyo Electric Power Company Holdings, Incorporated (TEPCO Holdings) to characterize potential hazards and to ensure the safety of workers involved with cleanup activities. This information also has important implications for the safety and operation of U.S. commercial nuclear power plants. This document summarizes results from the Fiscal Year 2022 (FY2022) U.S. effort to review Daiichi information and extract insights to enhance the safety of existing and future nuclear power plant designs. This U.S. effort, which was initiated in 2014 by the Department of Energy Office of Nuclear Energy, is completed by a group of experts in reactor safety and plant operations that identify examination needs and evaluate recent Daiichi examination data to address these needs. Fukushima-related information and associated discussions during forensics meetings benefit operating, new, and advanced reactors. Significant safety insights are being obtained in several areas: system and component performance, radionuclide surveys and sampling, debris end-state location, combustible gas effects, and plant operations and maintenance. In addition to reducing uncertainties related to severe accident modeling progression, these insights have and continue to be used to update guidance for severe accident prevention, mitigation, and emergency planning. As discussed in this document, revised operator guidance was successfully used to improve operator response during a loss of off-site power event at the Duane Arnold Energy Center plant. Reduced uncertainties in modeling the events at Daiichi improve the realism of reactor safety evaluations that inform future D&D activities. U.S. evaluations of information from Fukushima and input regarding future examinations are of interest to several organizations within Japan. Meeting presentations by Japan describe how comments and recommendations documented in prior U.S. forensics effort reports, including consensus information requests developed by forensics effort participants, are considered in future Fukushima D&D activities. As discussed in this report, TEPCO Holdings considered these information requests in their D&D planning activities. An updated list of consensus information requests is included in this FY2022 report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Spatio-temporal patterning of extensile active stresses in microtubule-based active fluids

Abstract Microtubule-based active fluids exhibit turbulent-like autonomous flows, which are driven by the molecular motor powered motion of filamentous constituents. Controlling active stresses in space and time is an essential prerequisite for controlling the intrinsically chaotic dynamics of extensile active fluids. We design single-headed kinesin molecular motors that exhibit optically enhanced clustering and thus enable precise and repeatable spatial and temporal control of extensile active stresses. Such motors enable rapid, reversible switching between flowing and quiescent states. In turn, spatio-temporal patterning of the active stress controls the evolution of the ubiquitous bend instability of extensile active fluids and determines its critical length dependence. Combining optically controlled clusters with conventional kinesin motors enables one-time switching from contractile to extensile active stresses. These results open a path towards real-time control of the autonomous flows generated by active fluids.

36 MATERIALS SCIENCE↗

DOE OSTI2026

GRIDAPPSD/distopf (33583-E)

DistOPF is an open-source Python package providing a three-phase, asymmetric optimal power flow (OPF) tool specifically designed for distribution systems. The key inventive features include: - Asymmetrical 3-phase OPF modeling for distribution systems with unbalanced phases - Comprehensive control optimization supporting both active (P) and reactive (Q) power control variables - Built-in visualization and validation tools - Standard test system benchmarking platform for algorithm development and comparison - Modular CSV-based input system using Pandas DataFrames for flexible model specification - Standard power distribution model importer enabling direct conversion from CIM and OpenDSS format to optimization-ready models - Multiple solve interface compatibility (PYOMO, CVXPY, SciPy) with automatic solver selection based on problem type

Gray, Nathan [Pacific Northwest National Laborator↗

DOE OSTI2022

Regulatory Considerations for Nuclear Energy Applications of Digital Twin Technologies

Digital twins (DTs) in complex industrial and engineering applications have potential benefits that include increased operational efficiencies, enhanced safety and reliability, improved security engineering, reduced errors, faster information sharing, and better predictions. The interest in DT technologies continues to grow, and many of these advanced technologies are expected to experience rapid and wide industry adoption in the near future. Some of the potential application areas for DTs in the nuclear industry are design, licensing, plant construction, training simulators, predictive operations and maintenance, autonomous operation and control, failure and degradation prediction, physical protection modeling and simulation, and safety and reliability analyses. The Office of Nuclear Regulatory Research at the U.S. Nuclear Regulatory Commission (NRC) has initiated a future-focused research project to assess the regulatory viability of DTs for nuclear power plants and other NRC-regulated activities, such as fuel cycle facilities and operations. This report explores the potential impact of DT technologies in nuclear applications on NRC-regulated activities of interest. This report describes a nuclear DT system and its capabilities for nuclear power plant applications, followed by identification and discussion of some regulated activities that merit special consideration and present opportunities in implementing DT-enabling technologies and capabilities.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

U.S. Efforts in Support of Examinations at Fukushima Daiichi - September 2024 Meeting Notes

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

U.S. Efforts in Support of Examinations at Fukushima Daiichi - November 2022 Meeting Notes and Information Request Status

Information obtained from Fukushima Daiichi Nuclear Power Station (Daiichi) is required to inform future Decontamination and Decommissioning (D&D) activities, improving the ability of the Tokyo Electric Power Company Holdings, Incorporated (TEPCO Holdings) to characterize potential hazards and to ensure the safety of workers involved with cleanup activities. This information also has important implications for the safety and operation of U.S. commercial nuclear power plants. This document summarizes results from the Fiscal Year 2023 (FY2023) U.S. effort to review Daiichi information and extract insights to enhance the safety of existing and future nuclear power plant designs. This U.S. effort, which was initiated in 2014 by the Department of Energy Office of Nuclear Energy, is completed by a group of experts in reactor safety and plant operations that identify examination needs and evaluate recent Daiichi examination data to address these needs. Fukushima-related information and associated discussions during these meetings benefit operating, new, and advanced reactors. Significant safety insights have been and are continuing to be obtained in several areas: system and component performance, radionuclide surveys and sampling, debris end-state location, combustible gas effects, and plant operations and maintenance. In addition to reducing uncertainties related to severe accident modeling progression, these insights have and continue to be used to update guidance for severe accident prevention, mitigation, and emergency planning. Furthermore, Daiichi-related activities, such as code modeling improvements and analysis, testing, and new technology deployment efforts, have the potential to offer additional benefits to the operating fleet and new LWR and non-LWR designs. U.S. evaluations of obtained examination information and input regarding future Daiichi examinations are of interest to several organizations within Japan. Since its inception, the U.S. has provided consensus input for high priority time-sequenced examination tasks and supporting research activities. In their Mid-to-Long-term Examination Plan for 1F investigations, TEPCO included all remaining U.S. consensus information requests and additional information requests they identified. TEPCO periodically provides reports on the status of these requests (reflecting D&D priorities, new insights from investigations, and new technologies that become available). Hence, U.S. experts agreed that it was appropriate for TEPCO to track and prioritize these information requests as D&D progresses. U.S. experts will continue to review and comment on the information obtained from examinations and, as needed, provide additional details and relevant background material to support future examinations. As documented in this report, several other items, such as additional details on information requests pertaining to ex-vessel examinations, relevant references from prior research, additional documents to provide insights regarding recent investigation findings, and reviews of recently released documents, were agreed to during the FY2023 meeting.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Exploring the Frontiers of Energy Efficiency using Power Management at System Scale

In the face of surging power demands for exascale HPC systems, this work tackles the critical challenge of understanding the impact of software-driven power management techniques like Dynamic Voltage and Frequency Scaling (DVFS) and Power Capping. These techniques have been actively developed over the past few decades. By combining insights from GPU benchmarking to understand application power profiles, we present a telemetry data-driven approach for deriving energy savings projections. This approach has been demonstrably applied to the Frontier supercomputer at scale. Our findings based on three months of telemetry data indicate that, for certain resource-constrained jobs, significant energy savings (up to 8.5%) can be achieved without compromising performance. This translates to a substantial cost reduction, equivalent to 1438 MWh of energy saved. The key contribution of this work lies in the methodology for establishing an upper limit for these best-case scenarios and its successful application. This work enables HPC professionals to optimize the power-performance trade-off within constrained power budgets, not only for the exascale era but also beyond.

Karimi, Ahmad Maroof↗