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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Novel Membrane-Based Corrosion Sensors For Operating In Natural Gas Pipelines

Membrane-based electrochemical sensors (MBES) provide an attractive option for real-time continuous humidity and corrosion rate measurements inside of natural gas pipelines. The MBES, can use electrochemical techniques such as linear polarization resistance and electrochemical impedance spectroscopy even when a conductive aqueous phase is intermittent or unavailable. We now present field-test performance data of our MBES operated inside a multiphase water and natural gas flow facility. The MBES measured internal corrosion and conductivity at the top, bottom, and side of the pipe spool. Tests were carried out with flow rates of 4.6, 9.1, and 18.3 m/s, temperatures of 21, 29, and 35 °C, and a pressure of 1000 psia. All sensors followed similar trends in open circuit potential, corrosion rate, and conductivity over time. Neither flow rate, temperature, nor build-up of metal-based solids on the sensor surfaces impacted the quality of the electrochemical measurements. The field-test results confirm that the membrane-based electrochemical sensors are suitable for monitoring internal corrosion of operational natural-gas pipelines.

Duffy, Timothy↗
DOE OSTI2025

Thermal Optimization and Experimental Demonstration of a Silicon Carbide, Half-Bridge Power Module

This paper describes modeling and experimental work to design and demonstrate a silicon carbide (SiC), single-side-cooled power module. Two SiC metal-oxide-semiconductor field-effect transistors (MOSFET) were used for each switch position and packaged on a metalized ceramic substrate. Thermal modeling was first conducted to optimize the module packaging to minimize junction-to-fluid thermal resistance and device temperature variations. This procedure identified the optimal device placement and baseplate thickness to maximize thermal performance. A heat exchanger - incorporating impinging jets of water-ethylene glycol - was designed to cool the module's baseplate to minimize thermal resistance and pumping power. The heat exchanger used relatively low fluid velocities (<1.5 m/s) to minimize erosion-corrosion effects and relatively large fluid channel sizes (>=1 mm) to prevent clogging. The power module concept was fabricated, and experiments were conducted to measure its thermal performance. Direct current was used to power the module devices, and junction temperatures were measured via device temperature-sensitive parameters. The experimental results were found to be in good agreement with model predictions (within 2%) and yielded junction-to-fluid thermal resistance values as low as about 15 mm2 K/W at relatively low pumping power values. The results demonstrate the improved performance associated with jet impingement cooling and represent an improvement over existing channel-flow-type cold plates, which can enable improvements to power density and reliability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Staircases of passive and active scalar concentration in cellular flow

This paper develops a unified model for staircase formation in both passive and active scalar systems, building upon prior numerical studies by offering new heuristic and physical insights. While prior studies primarily reported numerical results, they did not explore the underlying unifying physics that governs both types of scalar transport; this work addresses that gap by identifying shared mechanisms across both cases. Results of studies of passive and active scalar staircase formation in cellular flows are presented. Staircase formation in cellular flows occurs due to the interplay of fast mixing within cells and slow transport across the inter-cell boundary. The cell boundary emerges as a de facto transport barrier. Special attention is focused on the effects of cellular fluctuations and noise upon staircase structure. A forced, fluctuating vortex array model is used to drive the underlying flow structure. Cellular Peclet number and staircase profile curvature are identified as figures-of-merit to quantify the resiliency of layering. These are related to simple, multi-scatterer scalar random walk models. Results for Peclet number and curvature scaling with flow excitation are presented. We also study staircases of magnetic potential evolving in two-dimensional magnetohydrodynamics as examples of layering of active scalar concentration. Formation of magnetic potential staircases is indeed observed. Flux expulsion inhibits the intercellular transport of magnetic potential and strengthens staircase barriers. Magnetic staircases can be supported against resistive decay by magnetic potential noise forcing. Implications for staircase formation in magnetic confinement experiments are discussed.

Control theory↗
DOE OSTI2022

Westinghouse Accident Tolerant Fuel Phase 2B with Higher Enriched and Higher Burnup Add-On Project Final Technical Report Deliverable Volume 1

The Westinghouse Electric Company LLC (Westinghouse) accident tolerant fuel (ATF) program funded by Westinghouse and the US Department of Energy (DOE) utilized chromium (Cr) coated zirconium alloy cladding with doped UO 2 (ADOPT(TM)) and uranium silicide (U 3 Si 2 ) high density/high thermal conductivity fuel for its lead test rod (LTR) program with irradiation beginning in 2019. ADOPT is a Cr 2 O 3 +Al 2 O 3 doped UO 2 pellet with increased oxidation resistance and density, and increased resistance to fission gas release. Due to the issues with U 3 Si 2 fuel reaction in pressurized water reactor (PWR) environments, uranium nitride (U 15 N) has been substituted for U 3 Si 2 as a long-term fuel option. Cr coated cladding with ADOPT fuel is the near-term Westinghouse EnCore fuel product. The long-term EnCore ® fuel product is SiGA ® SiC/SiC composite cladding with high density/high thermal conductivity UN fuel. In 2020, the higher burnup and higher enriched and (HBHE) program was integrated into the ATF program. The objective of this expanded program is to extend ATF burnups to at least 75 MWd/kgU to economically facilitate 24-month cycles in PWRs. The ATF program now includes ADOPT fuel with enrichments >5% 235 U. Over the past several years, Westinghouse has tested the Cr coated zirconium (Zr) and silicon carbide (SiC) claddings in Westinghouse Churchill autoclaves and the Massachusetts Institute of Technology (MIT) reactor. Additionally, the Cr coated cladding has been tested in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) and in LTR programs at the Doel 4 and Bryon 2 commercial reactors. High temperature tests at the state-of-the-art Westinghouse facilities in Churchill, PA and at Karlsruhe Institute of Technology (KIT) have been carried out to determine the time and temperature limits for the Cr coated zirconium claddings. These tests indicate that Cr coated Zr cladding can take temperatures up to about 1500°C for short periods of time without becoming totally oxidized. The main issue is the formation of the Cr-Zr eutectic at 1333°C resulting in the migration of this eutectic inward with the formation of ZrCr 2 which rapidly oxidizes to ZrO 2 on the outside of the tube. The Cr coated Zr cladding also delays the bursting of the tube, reduces the burst area, and reduces hydriding and embrittlement of the Zr which is a major benefit for reducing fuel fragmentation, redistribution, and dispersal (FFRD), the major licensing issue faced by HBHE. The manufacturing parameters for the SiC have been found to have a significant effect on the corrosion rate of the SiC in light water reactor (LWR) conditions and significant improvements have been made in the yield, quality, and oxidation resistance of the SiC cladding by identifying and tightening manufacturing process parameters. Current autoclave results for SiC composite claddings indicate that a corrosion rate of fewer than 2 micrometers per year can be achieved which meets corrosion requirements under normal operating conditions. High temperature steam oxidation tests at the state-of-the-art Westinghouse facilities in Churchill, PA and at Karlsruhe Institute of Technology (KIT) have been carried and determined that SiC cladding can withstand temperatures up to about 1800°C to 1900°C before excessive corrosion reactions begin, and that the SiC will not balloon and burst. ADOPT fuel pellets were incorporated into the Westinghouse ATF program because of their increased density and oxidation resistance. A topical report supporting the use of ADOPT pellets has been submitted to the NRC and will be approved shortly. ADOPT pellets have been a product in Europe for over 15 years. The additives work to make larger grain sizes which appear to reduce fission gas release during transients as well as increase the density of the pellet. Fuel rod and assembly design in preparation for the lead test rod (LTR) and lead test assembly (LTA) programs is underway as well as licensing efforts with the Nuclear Regulatory Commission (NRC). Finally, accident analyses coupled with economic evaluations for both operating savings as well as fuel savings have been initiated. Modular Accident Analysis Program 5 (MAAP5) calculations indicate that both Cr coated cladding and SiC composite cladding can increase the time to fuel rod loss of geometry for up to two hours longer than current Zr based cladding in a station blackout scenario. This additional time is due to the much higher oxidation resistance of the SiC and Cr coated cladding. These two hours can be used to implement additional response options instituted through the Diverse and Flexible Mitigation Capability (FLEX) program by reactor operators. Both ATF cladding options also reduce hydrogen production which dramatically reduces primary system and containment pressure and the risk of fission product release beyond containment in the unlikely event of an accident. The lower pressure in the system allows more time to feed cooling water to the core, resulting in the avoidance of fuel melting. The coping time is extended indefinitely if the modest water flow provided by FLEX continues. Experimental work on methods to rapidly fabricate SiC composite structures with high density and reduce the fabrication price of SiC fibers while maintaining a high level of performance is needed. Methods for mitigating or stopping the Cr-Zr eutectic are also needed to further improve the oxidation resistance of Cr coated Zr. Minimal (<1%) swelling of U 3 Si 2 and subsequent fission gas release has been demonstrated up to 20 MWd/kgU. Irradiation experiments with U 3 Si 2 fuel in ATR to determine these properties at 40 MWd/kgU were completed but post irradiation examinations were not done since U 3 Si 2 has been replaced by UN. UN has three issues that are being addressed. The first is increasing the oxidation resistance so that there is not excessive reaction up to ~1500°C. While UN increases the pellet density and additives to the UN postponed the temperature at which rapid oxidation occurred by ~100°C to 200°C, this is not enough, and pellet coating options are now being pursued. The second is developing a method to manufacture that does not require the multi-step process of UF 6 to UO 2 to UC to UN. Efforts are underway looking at UF 6 to UN 2 to UN and UF 6 to UF 4 to UN 2 to UN reactions. Finally, an economically acceptable process for potentially enriching the 15 N content of the nitrogen used to make UN to >95% 15N was identified though not experimentally validated. In addition to the work supported by the DOE, research and testing activities are being carried on in a world-wide effort funded by many countries such as Sweden, United Kingdom, Belgium, Netherlands, Spain, Germany, Japan, and France. This work is being facilitated through the Westinghouse led Collaboration for Advanced Research on Accident Tolerant Fuel (CARAT) program. Annual meetings were organized in 2018 and 2019 by Westinghouse as a venue for presentation of this work and to provide for the cross-fertilization of ideas among the many outstanding researchers in the ATF area. No meetings were held in 2020 and 2021 due to the COVID-19 related restrictions on traveling and gatherings. Since SiC, coated cladding, and high-density fuel options are not currently used in the nuclear industry; support from the government and industry members is needed to further the significant effort of setting new standards. The same is true for the Nuclear Regulatory Commission (NRC) which must review and approve the commercial use of these new fuels since all current regulations are oriented toward Zr/UO 2 fuel. Several meetings have been held with the NRC to generate a fast-track approach to licensing ATF using a combination of atomic modeling, in-rod sensors, and in-reactor testing. This approach was memorialized in an “Accelerated Fuel Qualification White Paper” prepared by the Accelerated Fuel Qualification Working Group lead by General Atomics.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Westinghouse Accident Tolerant Fuel Phase 2B with Higher Enriched and Higher Burnup Add-On Project Final Technical Report Deliverable Volume 2

The Westinghouse Electric Company LLC (Westinghouse) accident tolerant fuel (ATF) program funded by Westinghouse and the US Department of Energy (DOE) utilized chromium (Cr) coated zirconium alloy cladding with doped UO 2 (ADOPT(TM)) and uranium silicide (U 3 Si 2 ) high density/high thermal conductivity fuel for its lead test rod (LTR) program with irradiation beginning in 2019. ADOPT is a Cr 2 O 3 +Al 2 O 3 doped UO 2 pellet with increased oxidation resistance and density, and increased resistance to fission gas release. Due to the issues with U 3 Si 2 fuel reaction in pressurized water reactor (PWR) environments, uranium nitride (U 15 N) has been substituted for U 3 Si 2 as a long-term fuel option. Cr coated cladding with ADOPT fuel is the near-term Westinghouse EnCore ® fuel product. The long-term EnCore fuel product is SiGA ® SiC/SiC composite cladding with high density/high thermal conductivity UN fuel. In 2020, the higher burnup and higher enriched and (HBHE) program was integrated into the ATF program. The objective of this expanded program is to extend ATF burnups to at least 75 MWd/kgU to economically facilitate 24-month cycles in PWRs. The ATF program now includes ADOPT fuel with enrichments >5% 235 U. Over the past several years, Westinghouse has tested the Cr coated zirconium (Zr) and silicon carbide (SiC) claddings in Westinghouse Churchill autoclaves and the Massachusetts Institute of Technology (MIT) reactor. Additionally, the Cr coated cladding has been tested in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) and in LTR programs at the Doel 4 and Bryon 2 commercial reactors. High temperature tests at the state-of-the-art Westinghouse facilities in Churchill, PA and at Karlsruhe Institute of Technology (KIT) have been carried out to determine the time and temperature limits for the Cr coated zirconium claddings. These tests indicate that Cr coated Zr cladding can take temperatures up to about 1500°C for short periods of time without becoming totally oxidized. The main issue is the formation of the Cr-Zr eutectic at 1333°C resulting in the migration of this eutectic inward with the formation of ZrCr 2 which rapidly oxidizes to ZrO 2 on the outside of the tube. The Cr coated Zr cladding also delays the bursting of the tube, reduces the burst area, and reduces hydriding and embrittlement of the Zr which is a major benefit for reducing fuel fragmentation, redistribution, and dispersal (FFRD), the major licensing issue faced by HBHE. The manufacturing parameters for the SiC have been found to have a significant effect on the corrosion rate of the SiC in light water reactor (LWR) conditions and significant improvements have been made in the yield, quality, and oxidation resistance of the SiC cladding by identifying and tightening manufacturing process parameters. Current autoclave results for SiC composite claddings indicate that a corrosion rate of fewer than 2 micrometers per year can be achieved which meets corrosion requirements under normal operating conditions. High temperature steam oxidation tests at the state-of-the-art Westinghouse facilities in Churchill, PA and at Karlsruhe Institute of Technology (KIT) have been carried and determined that SiC cladding can withstand temperatures up to about 1800°C to 1900°C before excessive corrosion reactions begin, and that the SiC will not balloon and burst. ADOPT fuel pellets were incorporated into the Westinghouse ATF program because of their increased density and oxidation resistance. A topical report supporting the use of ADOPT pellets has been submitted to the NRC and will be approved shortly. ADOPT pellets have been a product in Europe for over 15 years. The additives work to make larger grain sizes which appear to reduce fission gas release during transients as well as increase the density of the pellet. Fuel rod and assembly design in preparation for the lead test rod (LTR) and lead test assembly (LTA) programs is underway as well as licensing efforts with the Nuclear Regulatory Commission (NRC). Finally, accident analyses coupled with economic evaluations for both operating savings as well as fuel savings have been initiated. Modular Accident Analysis Program 5 (MAAP5) calculations indicate that both Cr coated cladding and SiC composite cladding can increase the time to fuel rod loss of geometry for up to two hours longer than current Zr based cladding in a station blackout scenario. This additional time is due to the much higher oxidation resistance of the SiC and Cr coated cladding. These two hours can be used to implement additional response options instituted through the Diverse and Flexible Mitigation Capability (FLEX) program by reactor operators. Both ATF cladding options also reduce hydrogen production which dramatically reduces primary system and containment pressure and the risk of fission product release beyond containment in the unlikely event of an accident. The lower pressure in the system allows more time to feed cooling water to the core, resulting in the avoidance of fuel melting. The coping time is extended indefinitely if the modest water flow provided by FLEX continues. Experimental work on methods to rapidly fabricate SiC composite structures with high density and reduce the fabrication price of SiC fibers while maintaining a high level of performance is needed. Methods for mitigating or stopping the Cr-Zr eutectic are also needed to further improve the oxidation resistance of Cr coated Zr. Minimal (<1%) swelling of U 3 Si 2 and subsequent fission gas release has been demonstrated up to 20 MWd/kgU. Irradiation experiments with U 3 Si 2 fuel in ATR to determine these properties at 40 MWd/kgU were completed but post irradiation examinations were not done since U 3 Si 2 has been replaced by UN. UN has three issues that are being addressed. The first is increasing the oxidation resistance so that there is not excessive reaction up to ~1500°C. While UN increases the pellet density and additives to the UN postponed the temperature at which rapid oxidation occurred by ~100°C to 200°C, this is not enough, and pellet coating options are now being pursued. The second is developing a method to manufacture that does not require the multi-step process of UF 6 to UO 2 to UC to UN. Efforts are underway looking at UF 6 to UN 2 to UN and UF 6 to UF 4 to UN 2 to UN reactions. Finally, an economically acceptable process for potentially enriching the 15 N content of the nitrogen used to make UN to >95% 15 N was identified though not experimentally validated. In addition to the work supported by the DOE, research and testing activities are being carried on in a world-wide effort funded by many countries such as Sweden, United Kingdom, Belgium, Netherlands, Spain, Germany, Japan, and France. This work is being facilitated through the Westinghouse led Collaboration for Advanced Research on Accident Tolerant Fuel (CARAT) program. Annual meetings were organized in 2018 and 2019 by Westinghouse as a venue for presentation of this work and to provide for the cross-fertilization of ideas among the many outstanding researchers in the ATF area. No meetings were held in 2020 and 2021 due to the COVID-19 related restrictions on traveling and gatherings. Since SiC, coated cladding, and high-density fuel options are not currently used in the nuclear industry; support from the government and industry members is needed to further the significant effort of setting new standards. The same is true for the Nuclear Regulatory Commission (NRC) which must review and approve the commercial use of these new fuels since all current regulations are oriented toward Zr/UO 2 fuel. Several meetings have been held with the NRC to generate a fast-track approach to licensing ATF using a combination of atomic modeling, in-rod sensors, and in-reactor testing. This approach was memorialized in an “Accelerated Fuel Qualification White Paper” prepared by the Accelerated Fuel Qualification Working Group lead by General Atomics.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

High performance aluminum-air flow batteries through double-face architecture and laser-modified and friction-stir processed 3D anode

Aluminum-air batteries (AAB) are regarded as one of the most promising beyond-lithium high-energy-density storage candidates. Here, this paper introduces a three-dimensional (3D) Al 7075 anode enabled by femtosecond laser and friction-stir process which, along with a special double-face anode architecture provides world-class performance. Electrochemical characterizations prove that the corrosion resistance of the modified 3D Al 7075 FSP anode was enhanced, and electrochemically active surface area (ECSA) was increased compared with that of normal Al 7075 anode. Friction-stir processing reduced the mean grain size from 30 μm to 3 μm. The discharge performance of 3D Al 7075 FSP anode is shown to be quite stable, and the average values of energy density are significantly increased from 2256 mWh g –1 to 2941 mWh g –1 at 100 mA cm –2 . In a double-face flowing Al-air battery system, the 3D Al 7075 FSP anode exhibited significantly better electrocatalytic performance (discharge voltage of 0.76 V at 400 mA cm –2 , and power density of 337.8 mW cm –2 ) than that of a commercial Al 7075 anode.

25 ENERGY STORAGE↗
DOE OSTI2020

Fault Current Control and Protection in a Standalone DC Microgrid Using Adaptive Droop and Current Derivative

This report presents a novel fault detection, characterization, and fault current control algorithm for a standalone solar-photovoltaic (PV) based dc microgrids. The protection scheme is based on the current derivative algorithm. The overcurrent and current directional/differential comparison based protection schemes are incorporated for the dc microgrid fault characterization. For a low impedance fault, the fault current is controlled based on the current/voltage thresholds and current direction. Generally, the droop method is used to control the power-sharing between the converters by controlling the reference voltage. In this article, an adaptive droop scheme is also proposed to control the fault current by calculating a virtual resistance R droop , and to control the converter output reference voltage. For a high impedance fault, differential comparison method is used to characterize the fault. These algorithms effectively control the converter pulsewidth and reduce the flow of source current from a particular converter, which helps to increase the fault clearing time. Additionally, a trip signal is sent to the corresponding dc circuit breaker (DCCB), to isolate the faulted converter, feeder or a dc bus. The dc microgrid protection design procedure is detailed, and the performance of the proposed method is verified by simulation analysis.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Geophysical and Environmental Monitoring Data, and Subsurface Flow Modelling Results for Chicken Bone Meadow, Mt. Snodgrass, Crested Butte, CO

This dataset includes geoelectrical monitoring data acquired between October 2021 and November 2022, soil moisture and temperature data, groundwater data obtained from borehole SNIB covering the period from June 2021 to September 2022, and hydrological modelling results. The data were acquired to investigate how variations in bedrock type and topography, and vegetation cover control subsurface flow dynamics. To provide insights into the subsurface flow dynamics and their controls, a monitoring transect was installed at the Chicken Bone Meadow, Mt. Snodgrass, Crested Butte, CO, measuring the spatio-temporal variations of soil moisture, soil and snow temperature, subsurface electrical resistivity variations, and groundwater dynamics. Field data are organized in a folder structure, with Electrical Resistivity Tomography (ERT) data being provided as one file per measurement, and data of the soil moisture and temperature sensors being provided as text files covering the entire monitoring period. The ‘Locations.csv’ file contains the location of all sensors, given in NAD83 – UTM Zone 13N. ERT monitoring data has been processed to filter data based on reciprocal errors (data with errors > 30% were removed), a linear error model was fitted to each survey, and to ensure a constant set of measurements for time-lapse inversion, filtered data were interpolated and assigned a 100% measurement error. Soil moisture and temperature data were acquired at 15 min intervals, and averaged to provide 1h data. Weather data and borehole data (groundwater depth, conductivity and temperature) were acquired at 30 min intervals, and are provided as daily measurements; all measurements are averaged, except of precipitation values, which are given as daily accumulation. The hydrological model was set up along the ERT monitoring transect, and net infiltration was used as surface boundary condition and derived from the weather data. Four different results are provided, (1) results for a parameterization using hydraulic permeability and porosity as derived from the ERT data through petrophysical relationships, and (2) three simplified model results, using 1 to 3 geological layers above the bedrock. Modelling was performed using PFLOTRAN, and for each model the PFLOTRAN input files are provided. The result files include weekly hydrological modelling results (e.g., saturation, velocities, pressures), as well as the model parameterization. The dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Manufacturing of Fabric Electrodes using a High-Throughput Screening Platform for Redox Flow Batteries

The objective of this project is to establish a new manufacturing methodology with machine learning- based high-throughput screening for the design and development of hierarchical structured, high-performance fabric electrodes for redox flow batteries (RFBs). The end goal of the project is to design and manufacture fabric electrodes for RFB applications that can provide 250 mA/cm2 current density operation for 100-cycles with 80% average energy efficiency. This was accomplished by first examining the structure-performance-property linkages of the electrodes provided by our partner, AvCarb. The electrodes’ microstructure was characterized by determining their pore size distribution, tortuosity, specific surface area, and porosity. The ohmic, charge transfer and mass transfer resistances were then calculated using electrochemical impedance spectroscopy. Carbon cloth electrodes showed the greatest resistance, which was dominated by charge transfer resistance, which we believe is related to the surface functionalization. Full cell cycling was used in order to determine the area specific resistance and energy efficiency of the cells. All of this experimental data and the results of the mathematical model (to increase the amount of inputs with parametric sweeping) were used to develop a machine learning-based model for the design of high-performance fabric electrodes. Using the results from the machine learning tool, optimized electrodes were fabricated by AvCarb. The ohmic, charge transfer and mass transfer resistances for these new electrodes were measured, and both performed better than any of the initial samples which had been provided by AvCarb.

25 ENERGY STORAGE↗
DOE OSTI2021

Steering the methanol steam reforming reactivity of intermetallic Cu–In compounds by redox activation: stability vs . formation of an intermetallic compound–oxide interface

To compare the inherent methanol steam reforming properties of intermetallic compounds and a corresponding intermetallic compound–oxide interface, we selected the Cu–In system as a model to correlate the stability limits, self-activation and redox activation properties with the catalytic performance. Three distinct intermetallic Cu–In compounds – Cu 7 In 3 , Cu 2 In and Cu 11 In 9 – were studied both in an untreated and redox-activated state resulting from alternating oxidation–reduction cycles. The stability of all studied intermetallic compounds during methanol steam reforming (MSR) operation is essentially independent of the initial stoichiometry and all accordingly resist substantial structural changes. The inherent activity under batch MSR conditions is highest for Cu 2 In, corroborating the results of a Cu 2 In/In 2 O 3 sample accessed through reactive metal–support interaction. Under flow MSR operation, Cu 7 In 3 displays considerable deactivation, while Cu 2 In and Cu 11 In 9 feature stable performance at simultaneously high CO 2 selectivity. Here, the missing significant self-activation is most evident in the operando thermogravimetric experiments, where no oxidation is detected for any of the intermetallic compounds. In situ X-ray diffraction allowed us to monitor the partial decomposition and redox activation of the Cu–In intermetallic compounds into Cu 0.9 In 0.1 /In 2 O 3 (from Cu 7 In 3 ), Cu 7 In 3 /In 2 O 3 (from Cu 2 In) and Cu 7 In 3 /Cu 0.9 In 0.1 /In 2 O 3 (from Cu 11 In 9 ) interfaces with superior MSR performance compared to the untreated samples. Although the catalytic profiles appear surprisingly similar, the latter interface with the highest indium content exhibits the least deactivation, which we explain by formation of stabilizing In 2 O 3 patches under MSR conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fast Computational Algorithms for Partial Differential Equations and Uncertainty Quantifications

This project concerned the construction, testing and analysis of computational algorithms for solving parameterized and stochastic partial differential equations. The study and understanding of equations of this type is of fundamental importance in numerous engineering and scientific applications. Examples include simulation of plasma dynamics in models of electric propulsion and nuclear fusion, simulation of multiphase flows, such as the flow of water, gas and oil in reservoirs, and structural analysis of the dependence of structures on materials. Parametrization is used in such settings when properties of the models such as viscosity of fluids or electric resistivity of materials are not precisely understood and instead are treated as random variables. The resulting solutions are themselves random, and having such solutions will enable engineers to use probabilistic methods to assess the likelihood of events, for example, whether a pollutant in a liquid will exceed a limit, and to use such analyses to develop ways to ensure positive outcomes. Construction of accurate (high resolution) computational solutions is expensive, requiring significant computer time and computational resources, and there is need to reduce computational cost to make simulation useful and effective. The aim of the project was to construct algorithms to efficiently compute surrogate solutions to parameterized problems to allow for efficient and accurate simulation. The technical approach used focused on two related strategies, based on rank-reduction methods and reduced-order models. These methods construct surrogate solutions of parameter-dependent models by projection or interpolation into low-dimensional approximation spaces. Cost savings are achieved if the low-dimensional spaces can be identified and constructed efficiently and if the resulting low-dimensional algebraic systems can be solved cheaply. Accomplishments include: Theoretical and empirical demonstration of the effectiveness of fast multigrid solution strategies for computing low-rank representations of parameter-dependent solutions to discrete partial differential equations, including the first proof establishing so-called textbook convergence properties for low-rank methods. Development of efficient solution algorithms for solving nonlinear parameter-dependent partial differential equations used in models of fluid dynamics. Developent of efficient algorithms for low-rank representation of solutions of time-dependent simulations of fluid dynamics using multi-dimensional tensor representations of solutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A Variable Pressure Multi-Pressure Rail System Design for Agricultural Applications

This paper presents a solution for reducing energy loss in the hydraulic control system of agricultural tractors and their implements. The solution is referred to as a multi-pressure rail (MPR) and provides power to the hydraulic functions following a pressure control logic, as opposed to the traditional flow control logic typical of hydraulic systems used in off-road vehicles. The proposed hydraulic control system allows for elimination of redundant flow control valves in the state-of-the-art system, which cause excessive throttling losses leading to poor overall energy efficiency. Related work on MPR technology targets construction vehicles, where the MPR solution can allow energy recovery during overrunning loads and better engine management. This paper alternatively addresses the case of agricultural applications where functions mostly operate under resistive load conditions with slow dynamics, which offers an opportunity to target throttle losses. For this purpose, the paper introduces a variable pressure control strategy to handle the instantaneous pressure at each rail. To develop both the controller and the hydraulic system architecture, a stationary test rig is conceived and used to validate a numerical simulation model of the MPR system and its control strategy. Particular focus is given to the dynamic behavior of the system during the switches of a function between different pressure rails, which needs to ensure reduced oscillations of the flow provided to each hydraulic function. Once validated, the simulation model is used to predict the energy savings of the MPR solution in an actual application: a 435 hp hydraulic tractor powering a 16-row planter, for which operating features during typical drive cycles were available to the authors. The results show up to 59% total power reduction at the pump shaft, corresponding to 89.8% system efficiency gain.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Rapid detection of mexX in Pseudomonas aeruginosa based on CRISPR-Cas13a coupled with recombinase polymerase amplification

The principal pathogen responsible for chronic urinary tract infections, immunocompromised hosts, and cystic fibrosis patients is Pseudomonas aeruginosa , which is difficult to eradicate. Due to the extensive use of antibiotics, multidrug-resistant P. aeruginosa has evolved, complicating clinical therapy. Therefore, a rapid and efficient approach for detecting P. aeruginosa strains and their resistance genes is necessary for early clinical diagnosis and appropriate treatment. This study combines recombinase polymerase amplification (RPA) and clustered regularly interspaced short palindromic repeats-association protein 13a (CRISPR-Cas13a) to establish a one-tube and two-step reaction systems for detecting the mexX gene in P. aeruginosa . The test times for one-tube and two-step RPA-Cas13a methods were 5 and 40 min (including a 30 min RPA amplification reaction), respectively. Both methods outperform Quantitative Real-time Polymerase Chain Reactions (qRT-PCR) and traditional PCR. The limit of detection (LoD) of P. aeruginosa genome in one-tube and two-step RPA-Cas13a is 10 aM and 1 aM, respectively. Meanwhile, the designed primers have a high specificity for P. aeruginosa mexX gene. These two methods were also verified with actual samples isolated from industrial settings and demonstrated great accuracy. Furthermore, the results of the two-step RPA-Cas13a assay could also be visualized using a commercial lateral flow dipstick with a LoD of 10 fM, which is a useful adjunt to the gold-standard qRT-PCR assay in field detection. Taken together, the procedure developed in this study using RPA and CRISPR-Cas13a provides a simple and fast way for detecting resistance genes.

Zhu, Xiao-Xuan↗
DOE OSTI2022

Trans-crustal structural control of CO 2 -rich extensional magmatic systems revealed at Mount Erebus Antarctica

Erebus volcano, Antarctica, with its persistent phonolite lava lake, is a classic example of an evolved, CO 2 -rich rift volcano. Seismic studies provide limited images of the magmatic system. Here we show using magnetotelluric data that a steep, melt-related conduit of low electrical resistivity originating in the upper mantle undergoes pronounced lateral re-orientation in the deep crust before reaching shallower magmatic storage and the summit lava lake. The lateral turn represents a structural fault-valve controlling episodic flow of magma and CO 2 vapour, which replenish and heat the high level phonolite differentiation zone. This magmatic valve lies within an inferred, east-west structural trend forming part of an accommodation zone across the southern termination of the Terror Rift, providing a dilatant magma pathway. Unlike H 2 O-rich subduction arc volcanoes, CO 2 -dominated Erebus geophysically shows continuous magmatic structure to shallow crustal depths of < 1 km, as the melt does not experience decompression-related volatile supersaturation and viscous stalling.

58 GEOSCIENCES↗
DOE OSTI2020

Assessment of AFM - KPFM and SSRM for Measuring and Characterizing Materials Aging Processes

Atomic Force Microscopy (AFM), in conjunction with Peak Force Kelvin Probe Force Microscopy (PF-KPFM) and Peak Force Scanning Spreading Resistance Microscopy (PF-SSRM), was used to assess changes on thin metal films that underwent accelerated aging. The AFM technique provides a relatively easy, non-destructive methodology that does not require high-vacuum facilities to obtain nanometer-scale spatial resolution of surface chemistry changes. Surface morphology, roughness, contact potential difference, and spreading resistance were monitored to qualitatively identify effects of aging-morphology changes and oxidation of Au, Al, Cu thin film standards as well as diffusion of CuAu and AlAu thin film stacks at 65C under dried nitrogen flow conditions. AFM PF-KPFM and PF-SSRM modes have been exercised, refined and have proven to be viable and necessary early aging detection tools.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modelling of cracking during beam oscillation laser welding of a creep-resistant nickel alloy

During high power laser welding of Inconel 740H, horizontal solidification cracks form at locations between approximately 70–80% of the weld depth. With the integration of circular beam oscillation, the laser energy density distribution and underlying thermo-mechanical conditions were altered. By coupling three-dimensional heat transfer, fluid flow, and stress modelling tools, the role that circular beam oscillation plays in the formation of the strain rates and stresses driving this cracking phenomenon was identified. While the addition of a circular oscillation pattern appeared to lower the stress levels along the solidification front, it did not eliminate the appearance of horizontal cracking. Only when the beam amplitudes reached 1.6 mm did solidification cracking disappear, but the weld depths were also significantly reduced.

Gao, Mingze↗
DOE OSTI2025

Tre-DST: A Drug Susceptibility Test for Mycobacterium tuberculosis Using Solvatochromic Trehalose Probes

In 2024, an estimated 10 million people developed Tuberculosis (TB), nearly half a million of whom were infected with drug-resistant tuberculosis (DR-TB). Early detection of infection and drug resistance enables rapid engagement in effective care. Bacterial culture and nucleic acid testing remain the primary diagnostic methods, with smear microscopy being phased out. However, these methods present significant limitations for diagnosing drug resistance, such as lengthy time-to-result for phenotypic tests, as well as the need for prior knowledge of resistance mutations and prohibitive cost for molecular tests. To address this, we developed a rapid phenotypic TB drug susceptibility test, termed Tre-DST, based on novel metabolically incorporated trehalose probes, which specifically detect live mycobacteria. We used the nonpathogenic Mycobacterium smegmatis and the virulence-attenuated Mycobacterium tuberculosis (Mtb) H37Ra or auxotrophic Mtb to demonstrate a strong correlation between cost-effective plate reader results and flow cytometry data, suggesting that the plate reader is a suitable fluorescence detector for Tre-DST. We determined that adding a 1-week incubation step allowed Mtb samples originally seeded at 10 4 CFU/mL to become detectable, over 2 weeks earlier than colony-forming unit analysis. We found that Tre-DST reports on drug susceptibility in a drug-agnostic manner, demonstrating loss of fluorescence with frontline TB drugs as well as the newer drug bedaquiline. Tre-DST distinguished RIF- and INH-resistant auxotrophs from susceptible controls and accurately reported the resistance activity. Ultimately, because Tre-DST is agnostic to mechanisms of drug resistance, this assay is likely compatible with all WHO-recommended and future DR-TB drugs as a diagnostic in reference laboratories.

diagnostics↗