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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

On the Viability of Video Imaging in Leak Rate Quantification: A Theoretical Error Analysis

Optical gas imaging through multispectral cameras is a promising technique for mitigation of methane emissions through localization and quantification of emissions sources. While more advanced cameras developed in recent years have led to lower uncertainties in measuring gas concentrations, a systematic analysis of the uncertainties associated with leak rate estimation have been overlooked. We present a systematic categorization of the involved uncertainties with a focus on a theoretical analysis of projection uncertainties that are inherent to this technique. The projection uncertainties are then quantified using Large Eddy Simulation experiments of a point source release into the atmosphere. Our results show that while projection uncertainties are typically about 5% of the emission rate, low acquisition times and observation of the gas plume at small distances from the emission source (<10 m) can amount to errors of about 20%. Further, we found that acquisition times on the order of tens of seconds are sufficient to significantly reduce (>50%) the projection uncertainties. These findings suggest robust procedures on how to reduce projection uncertainties, however, a balance between other sources of uncertainty due to operational conditions and the employed instrumentation are required to outline more practical guidelines.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

FY23 Report on Water NSTF Testing at Two-Phase Conditions: Off-normal Scenarios

Under support from the Department of Energy (DOE) and the Office of Advanced Reactor Technologies (ART), a large-scale test facility has been constructed at Argonne National Laboratory to generate NQA-1 qualified validation data for passive decay heat removal systems in advanced reactors. The Natural convection Shutdown heat removal Test Facility (NSTF) reflects key features of a ½ scale, water-based, Reactor Cavity Cooling System (RCCS) and is intended to study the behavior, bound performance, and ultimately guide design decisions for passive decay heat removal systems for advanced reactors. In addition to the experimental activities detailed in this report, a supportive computational modeling effort is on-going which has been demonstrated to significantly strengthen the experimental program while also improving accuracy of the computer models. Together these create a mutually beneficial relationship integral to meeting the overall program objective of examining the heat removal performance of the RCCS concept. This report details the experimental activities and upgrades performed during the program’s fifth year of water-based operation. The theme of this year of testing was examining off-normal scenarios. In practice, that meant examining scenarios with blockages or other design basis conditions. From a maintenance and capability standpoint that meant assessing valving options for implementing blockages, assessing drain and refill capabilities, and ensuring in all cases that operators could safely, efficiently, and repeatably bring the facility to an off-normal condition and return it to the normal operating state. In one notable case, no solution existed, nor was a solution commercially available, that met the facility needs for implementing blockages within the two-phase region of the chimney. A valve and feedthrough were custom-designed for NSTF to operate submerged in saturated water while being safely actuated from outside the tank. The fifth year of testing included eight matrix tests consisting of 162 hours of active heating, 9,735 kWh of electrical heating, with seven tests classified as Accepted per NQA-1 and one as Trending. All matrix tests were performed at two-phase flow conditions. The power parametric series from previous years was extended to include another scenario with a decay load equivalent to 1.75 MWt, full scale, further resolving the system flow oscillation response as a function of input power. A depletion test was performed to extend previous work and examine the system’s approach to stagnation and geysering that were not previously observed. This test began at an initial inventory level of 50%, prototypic power of 2.1 MWt, and employed an accelerated drain of 0.75 gpm plus boiloff until stagnation conditions were achieved and multiple geysering events were recorded. Further exploring the geysering phenomenon was a separate effects test examining static boiling in the risers and chimney. This static boiling test was performed at 48 kWe, a higher power than testing in the previous year, and included enhancements to the drain system to remove inventory in a better-controlled and more reliable manner. Two tests were performed, at prototypic conditions of 1.4 MWt and 2.4 MWt, respectively, examining the system response to throttled conditions in the singlephase region of the piping. A ball valve immediately before he riser inlet header was increasingly throttled, progressing the system through a repeatable pattern of two-phase oscillations and stable regimes before ultimately inducing stagnation and geysering. Concluding the year, two tests were performed at baseline conditions of 70% initial inventory level and 2.1 MWt of prototypic decay heat to examine both repeatability and the response to throttling within the two-phase region, at the inventory tank inlet using the custom valve mentioned above. The first such test repeated transient operating conditions and revealed significant sensitivity t

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

A Poisson equation method for prescribing fully developed non-Newtonian inlet conditions for computational fluid dynamics simulations in models of arbitrary cross-section

Prescribing inlet boundary conditions for computational fluid dynamics (CFD) simulations of internal flow in complex geometries such as anatomical vascular models is challenging. In the absence of patient-specific inlet velocity data, a common approach for long blood vessels is to assume that the inlet flow is fully developed. In vessels of irregular cross section, however, prescribing fully developed conditions is complicated due to the lack of a general closed-form analytical solution. In this study, we develop a simple Poisson equation method for prescribing fully developed inlet conditions for the flow of either Newtonian or non-Newtonian fluids in CFD models of arbitrary cross-section. We first derive the generalized Poisson equation for fully developed flow of a non-Newtonian fluid and we then develop and verify a methodology for numerically computing the solution on any planar boundary domain. In addition, we develop a simple extension of the method for prescribing a non-orthogonal inlet velocity that represents fully developed flow from an upstream tube that is connected to the CFD inlet at a non-orthogonal angle. This may be used to investigate a common source of uncertainty in CFD simulations of internal flow that is due to a lack of information concerning the exact streamwise flow direction at the inlets. Comparison to several Newtonian and non-Newtonian benchmark verification solutions shows the method to be extremely accurate. As a practical demonstration case, we use the method to prescribe fully developed conditions on multiple non-circular inlets for the non-Newtonian flow of blood in a patient-specific model of the inferior vena cava (IVC). Finally, we further demonstrate the utility of the method by performing a sensitivity study using the patient-specific IVC model, wherein we investigate the influence of inlet velocity flow direction on the non-Newtonian IVC hemodynamics. Given its simplicity and computational efficiency, the method is shown to be far superior to alternative approaches for prescribing fully developed inlet conditions in such complicated geometries. In conclusion, to facilitate the adoption of our Poisson equation method, we have distributed our OpenFOAM source code and the associated test cases from this study as open-source software.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

PV Stormwater Management Research and Testing (PV-SMaRT) (Final Technical Report)

The objective of the Photovoltaic Stormwater Management Research and Testing (PV-SMaRT) project was to develop and disseminate research-based, solar-specific resources for estimating stormwater runoff at ground-mounted PV facilities and detail stormwater management and water quality best practices. The intended use of stormwater management and water quality best practices and stormwater runoff estimation resources is to reduce balance of system soft costs associated with stormwater infrastructure requirements and improve water quality through research-tested best practices. Currently, stormwater regulations and guidelines vary by jurisdiction and can lead to regulatory uncertainty and increased compliance costs for managing stormwater runoff at solar sites. To address these concerns, the NREL team and its partners (University of Minnesota, Great Plains Institute, and Fresh Energy) established and engaged an advisory Water Quality Task Force (WQTF); conducted field research on stormwater infiltration and runoff at five ground-mounted PV sites; validated a 3-D hydrologic model to predict water runoff and generate stormwater runoff coefficients for a range of site conditions and PV designs; developed a stormwater management and water quality best practices document; and engaged with local jurisdictions and other stakeholders to disseminate best practices, stormwater runoff coefficients, and other tools. Key outputs of this project were a PV-SMaRT Runoff Calculator developed by University of Minnesota, a webinar detailing project outcomes and how to use the PV-SMaRT runoff calculator, and a document on Best Practices for regulators and developers regarding stormwater runoff at PV sites.

14 SOLAR ENERGY↗
DOE OSTI2020

Impacts of nitrogen addition on switchgrass root-associated diazotrophic community structure and function

ABSTRACT Cellulosic bioenergy crops, like switchgrass (Panicum virgatum), have potential for growth on lands unsuitable for food production coupled with potential for climate mitigation. Sustainability of these systems lies in identifying conditions that promote high biomass yields on marginal lands under low-input agricultural practices. Associative nitrogen fixation (ANF) is a potentially important nitrogen (N) source for these crops, yet ANF contributions to plant N, especially under fertilizer N addition are unclear. In this study, we assess structure (nifH) and function (ANF) of switchgrass root-associated diazotrophic communities to long-term and short-term N additions using soil from three marginal land sites. ANF rates were variable and often unexpectedly high, sometimes 10× greater than reported in the literature, and did not respond in repeatable ways to long-term or short-term N. We found few impacts of N addition on root-associated diazotrophic community structure or membership. Instead, we found a very consistent root-associated diazotrophic community even though switchgrass seeds were germinated in soil from field sites with distinct diazotrophic communities. Ultimately, this work demonstrates that root-associated diazotrophic communities have the potential to contribute to switchgrass N demands, independent of N addition, and this may be driven by selection of the diazotrophic community by switchgrass roots.

Microbiology↗
DOE OSTI2022

Overcoming the disconnect between energy system and climate modeling

Energy system models underpin decisions by energy system planners and operators. Energy system modeling faces a transformation: accounting for changing meteorological conditions imposed by climate change. To enable that transformation, a community of practice in energy-climate modeling has started to form that aims to better integrate energy system models with weather and climate models. In this work, we evaluate the disconnects between the energy system and climate modeling communities, then lay out a research agenda to bridge those disconnects. In the near-term, we propose interdisciplinary activities for expediting uptake of future climate data in energy system modeling. In the long-term, we propose a transdisciplinary approach to enable development of (1) energy-system-tailored climate datasets for historical and future meteorological conditions and (2) energy system models that can effectively leverage those datasets. This agenda increases the odds of meeting ambitious climate mitigation goals by systematically capturing and mitigating climate risk in energy sector decision-making.

17 WIND ENERGY↗
DOE OSTI2020

Hydropower Geotechnical Foundations: Current Practice and Innovation Opportunities for Low-Head Applications

Hydropower is a renewable energy resource that produces electricity from flowing water under pressure. Engineered hydropower structures, such as dams, are used to create a hydraulic head, enabling a turbinegenerator unit to convert pressurized flow into electricity. While hydropower has been a source of renewable energy since antiquity, new development in the United States has slowed in recent decades. Based on recent resource assessments, the largest opportunity to expand hydropower in the United States is from new stream-reach development (i.e., new hydropower development along stream-reaches that do not currently have hydroelectric facilities or other forms of infrastructure, such as dams). Roughly 75% of identified new stream-reach development potential is from low-head sites (less than 30 ft of head), which typically suffer from smaller power densities and higher normalized costs, given economies of scale. Hydropower developers and other stakeholders are thus interested in strategies to reduce initial capital costs while practicing sustainable development to maximize environmental compatibility with minimal disruption to natural aquatic life, sediment, and water flows. Historically, civil works have represented a significant cost driver for new hydropower development, with the foundation system representing a major cost component and source of uncertainty. The foundation system is the collection of engineered structural features (e.g. cutoff trenches, walls, grouting, anchors) constructed at or below the preconstruction ground surface that interfaces between the overlying structures (superstructures) and the bed material below (subsurface). Development of a hydropower foundation system must consider the various characteristics of the surrounding stream environment and subsurface while adhering to the engineering requirements of the superstructure that it supports. The care of water, excavation, and other construction activities are important features of foundation design and construction. The design and construction cost of the foundation system is largely dependent on the site geology and riverbed composition and is influenced by the level of geotechnical assessment required and conducted. Thus, a hydropower facility’s geotechnical foundation is often highly site-specific, with proper site selection and assessment being important to project success. The foundation system is designed to provide structural stability (of the foundation and dam), limit seepage, ensure public safety, and maintain functionality for the project life, during both construction and facility operations. Inadequate foundation or dam design can result in dam failure and the uncontrolled release of significant volumes of water, which could cause a high number of casualties and extensive property damage downstream of the failure. According to the Association of State Dam Safety Officials, approximately 30% of all historical dam failures in the United States are attributed to foundation or abutment defects, and another 20% are attributed to piping or seepage through the embankment, foundation, or abutment. To ameliorate these safety considerations, foundations often require massive amounts of construction material (e.g., grout, concrete, engineered dam fill) and long construction times. Foundation design also requires significant analysis prior to construction because the initial in-stream and abutment subsurface conditions are site-specific, and sufficient data for them often are lacking. Current practice requires on-site assessment, using expensive drilling and invasive and non-invasive investigation methods, to determine the expected cost of foundation material and treatment. Additionally, foundation construction often requires site dewatering (and other care of water activities), which involves constructing temporary diversion structures upstream and often downstream, called cofferdams, and water diversion systems that route water around the construction site. Cofferdams and water diversion systems can drastically increase construction costs and contribute to environmental disruption, including modification of flow patterns and benthic habitats. Given the technical, economic, and environmental challenges associated with hydropower foundations, opportunities exist to improve the current state of practice and to develop new and innovative solutions to Hydropower is a renewable energy resource that produces electricity from flowing water under pressure. Engineered hydropower structures, such as dams, are used to create a hydraulic head, enabling a turbinegenerator unit to convert pressurized flow into electricity. While hydropower has been a source of renewable energy since antiquity, new development in the United States has slowed in recent decades. Based on recent resource assessments, the largest opportunity to expand hydropower in the United States is from new stream-reach development (i.e., new hydropower development along stream-reaches that do not currently have hydroelectric facilities or other forms of infrastructure, such as dams). Roughly 75% of identified new stream-reach development potential is from low-head sites (less than 30 ft of head), which typically suffer from smaller power densities and higher normalized costs, given economies of scale. Hydropower developers and other stakeholders are thus interested in strategies to reduce initial capital costs while practicing sustainable development to maximize environmental compatibility with minimal disruption to natural aquatic life, sediment, and water flows. Historically, civil works have represented a significant cost driver for new hydropower development, with the foundation system representing a major cost component and source of uncertainty. The foundation system is the collection of engineered structural features (e.g. cutoff trenches, walls, grouting, anchors) constructed at or below the preconstruction ground surface that interfaces between the overlying structures (superstructures) and the bed material below (subsurface). Development of a hydropower foundation system must consider the various characteristics of the surrounding stream environment and subsurface while adhering to the engineering requirements of the superstructure that it supports. The care of water, excavation, and other construction activities are important features of foundation design and construction. The design and construction cost of the foundation system is largely dependent on the site geology and riverbed composition and is influenced by the level of geotechnical assessment required and conducted. Thus, a hydropower facility’s geotechnical foundation is often highly site-specific, with proper site selection and assessment being important to project success. The foundation system is designed to provide structural stability (of the foundation and dam), limit seepage, ensure public safety, and maintain functionality for the project life, during both construction and facility operations. Inadequate foundation or dam design can result in dam failure and the uncontrolled release of significant volumes of water, which could cause a high number of casualties and extensive property damage downstream of the failure. According to the Association of State Dam Safety Officials, approximately 30% of all historical dam failures in the United States are attributed to foundation or abutment defects, and another 20% are attributed to piping or seepage through the embankment, foundation, or abutment. To ameliorate these safety considerations, foundations often require massive amounts of construction material (e.g., grout, concrete, engineered dam fill) and long construction times. Foundation design also requires significant analysis prior to construction because the initial in-stream and abutment subsurface conditions are site-specific, and sufficient data for them often are lacking. Current practice requires on-site assessment, using expensive drilling and invasive and non-invasive investigation methods, to determine the expected cost of foundation material and treatment. Additionally, foundation construction often requires site dewatering (and other care of water activities), which involves constructing temporary diversion structures upstream and often downstream, called cofferdams, and water diversion systems that route water around the construction site. Cofferdams and water diversion systems can drastically increase construction costs and contribute to environmental disruption, including modification of flow patterns and benthic habitats. Given the technical, economic, and environmental challenges associated with hydropower foundations, opportunities exist to improve the current state of practice and to develop new and innovative solutions to challenges frequently encountered with traditional approaches. With this understanding, it is critically important to understand and document the current state of practice for hydropower geotechnical foundations, identify key challenges, and define opportunities for innovative solutions. To this end, this report documents the current state of practice across the three main phases of geotechnical foundation development: (1) geotechnical site assessment, (2) design, and (3) construction for hydropower systems. It also describes the major challenges with conventional approaches and identifies opportunities for innovation to reduce hydropower foundations costs, timelines, and risks. Key takeaways from this report include the following: Approximately 80% of available low-head sites are expected to have foundations on soil beds rather than rock beds, suggesting that rockfill and earthfill dams may be the most cost-effective conventional dam type for new projects.; Geotechnical and geologic investigation activities are time-consuming and expensive but are essential to define the parameters and criteria needed for foundation design.; Certain riverbed soil and bedrock types present significant technical challenges or require expensive foundation construction, which can prove financially prohibitive for low-head project development.; Modular hydropower design and prefabricated modular foundations represent a promising but unproven paradigm for new hydropower development. Design and construction approaches using optimized and highly repeatable, reliable components would benefit project cost, time, and risk but require additional research and development.; Temporary construction features for foundations, including cofferdams, water diversion, and water control systems, can prove costly and have inherent construction risk.; For economically viable development, hydropower geotechnical foundations should be limited to 4 to 15% of the project’s total initial capital costs. Many proposed projects have experienced cost overruns attributable to foundation difficulties or surprises during construction. These overruns may have been due to inadequate investigations, lack of adequate engineering effort to tailor the structures to site geology and topography, and/or contractual terms, among other considerations.; Challenges for hydropower foundations and opportunities for innovative technology solutions are identified in the following areas (consistent with the three main phases of foundation development): Geotechnical site assessment, Foundation design and materials, Construction methods and technology. Ultimately, this report aims to provide information about geotechnical foundations for low-head hydropower and to motivate transformative technologies to support hydropower growth.

13 HYDRO ENERGY↗
DOE OSTI2025

Best Practices for Grid Communications

As the grid evolves, the communications architecture will need to evolve with it. That architecture affords a structured means by which the evolving complexities of the modern electric grid can be managed. This document provides best practices that can be implemented in the grid of today and evolve towards the grid and grid architecture of the future. The evolving grid and its control communications increasingly rely on commercial communications providers and a variety of technologies, from wireless (e.g., 5G, microwave, Wi-Fi) to wireline (fiber, copper) to radio communications (P25, other repeater-based systems), and all these communications systems rely on electric power. A reliable and resilient grid must account for this complex set of interdependencies in its planning activities, especially those involving restoration and recovery. The participation of all relevant parties in both planning and exercising of plans can prevent unexpected conditions that impede the reliable operation and recovery of the grid. Best practices for grid communications include using a Network Management System to document the operational state, define and monitor baselines, detect changes, and accelerate response to abnormalities. If transitioning from SONET to IP/packet-based systems, translating grid requirements into communications requirements for latency, bandwidth and throughput, IP packet delay variation, packet loss, and availability should inform and drive technology planning and selection as well as that communication system’s Quality of Service (QoS) policies and Service Level Agreements (SLAs). Secure and reliable timing is another key component of a reliable and resilient grid that can operate through adverse events. A trusted internal NTP configuration, an integrated and diverse timing delivery system, optimizing the timing architecture based on the transport technologies of the communications system, and using established standards can deliver the level of timing accuracy required by a range of time-sensitive power system applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Correlation function metrology for warm dense matter: Recent developments and practical guidelines

X-ray Thomson scattering (XRTS) has emerged as a valuable diagnostic for matter under extreme conditions, as it captures the intricate many-body physics of the probed sample. Recent advances, such as the model-free temperature diagnostic of Dornheim et al. [Nat. Commun. 13 , 7911 (2022)], have demonstrated how much information can be extracted directly within the imaginary-time formalism. However, since the imaginary-time formalism is a concept often difficult to grasp, we provide here a systematic overview of its theoretical foundations and explicitly demonstrate its practical applications to temperature inference, including relevant subtleties. Furthermore, we present recent developments that enable the determination of the absolute normalization, Rayleigh weight, and density from XRTS measurements without reliance on uncontrolled model assumptions. Finally, we outline a unified workflow that guides the extraction of these key observables, offering a practical framework for applying the method to interpret experimental measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Scalable, Ultrathin, and High-Temperature-Resistant Solid Polymer Electrolytes for Energy-Dense Lithium Metal Batteries

We report all-solid-state batteries (ASSBs) demonstrate great promise, offering high energy density, good thermal stability, and safe operation compared with traditional Li-ion batteries. Among various solid-state electrolytes (SSEs), solid polymer electrolytes (SPEs) offer an attractive choice due to their thinness, low density, and good manufacturability. However, ultrathin SPEs that work with practical current densities or at high temperatures remain challenging, limiting applicable conditions of SPE-based batteries. Here, the authors report a novel scalable, ultrathin, and high-temperature-resistant SPE for ASSBs. This design includes an electrospun polyacrylonitrile (PAN) matrix and polyethylene oxide (PEO)/Li salt ionic conductor, which offers a stable LiF and Li 3 N containing SSE/Li interface. The unique interface—as well as the good mechanical strength—inhibits lithium dendrites and prevents short circuiting. As a result, symmetrical Li-Li cells deliver more than 300 h cyclability at 0.5 mA cm -2 . ASSBs fabricated with only 5 µm-thickness PAN-PEO/lithium bis(trifluoromethanesulfonyl)imide reach 300 cycles at 0.3 C rate at 60 °C. The excellent thermal stability of PAN also results in safer SPEs at high temperatures. The design extends battery operation up to temperatures of 120 and 150 °C, where it achieves 500 cycles at C/2 rate and 100 cycles at 2C rate, respectively.

25 ENERGY STORAGE↗
DOE OSTI2023

Identifying limitations in screening high-throughput photocatalytic bimetallic nanoparticles with machine-learned hydrogen adsorptions

The Sabatier principle is of fundamental importance to computational catalyst discovery, saving researchers time and expense by predicting catalytic activity in silico at scale. However, as polycrystalline and nanoscale catalysts increasingly dominate industry, computational screening tools must be adapted to these uses. In this work, we demonstrate the effectiveness of computational adsorption energy screening in nanocatalysis by comparing a multisite adsorption energy prediction workflow against a large experimental dataset of hydrogen evolution activities over bimetallic nanoparticles. Comparing 16 million hydrogen adsorption energy predictions with the hydrogen evolution activity of 5300 experiments across 84 monometallic and bimetallic systems, we discover that favorable adsorption energies are a necessary condition for experimental activity, but other factors often determine trends in practice. Finally, about half of the bimetallic search space can be excluded from experimental screens using hydrogen adsorption predictions, but this method may become significantly more powerful when combined with other screening tools.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization of the indoor far-field aerosol transmission in a model commercial office building

As businesses gradually reopen and employees return to work, the potential spread of SARS-CoV-2 and its variants through airborne transmission via the heating, ventilation, and air-conditioning (HVAC) systems of commercial building raises concerns. Since the general practice in commercial buildings is to use low-efficiency air filters and given that indoor air is generally recycled, the degree to which cross-zone aerosol transmission occurs is of interest. To quantify the cross-zone aerosol transmission, experiments were conducted using a synthetic test aerosol in the five zones on the first floor of a model commercial office building at the Oak Ridge National Laboratory. Because the synthetic aerosol was tagged with fluorescent salt, the aerosol generated from the source zone can be distinguished from the background aerosols due to its unique fluorescent signal. Data from cross-zone campaigns showed that submicron-aerosol transmission was higher than the micron aerosols. In campaigns with doors closed, the submicron aerosol transmission was less than 16% and less than 11% for micron aerosol transmission. Finally, opening the interior doors that connecting different zones can significantly enhance the aerosol transmission for zones at the close proximity to the source, but has less impact on those farther away.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Impact of Fermentation-Derived Substrates on Hydrogen Production in Zero-Gap Microbial Electrolysis Cells

Zero-gap microbial electrolysis cells (MECs) represent a promising platform for hydrogen production from liquid waste streams due to reduced interelectrode spacing that lowers internal resistance and enhances mass transport. However, the performance and stability of zero-gap MECs treating chemically complex feedstocks remain insufficiently characterized. Here, we operated zero-gap MECs with real, unamended, corn stover dark fermentation effluent containing a wide range of organic substrates. The MECs fed fermentation effluent achieved a maximum current density of 24 A/m2 (15+-6 A/m2 over the cycle) and a hydrogen production rate of 75 L/L-d (42+-19 L/L-d over the cycle). The substrates were consumed at different rates, indicating substrate-selective utilization by the anodic microbial community. Acetate supported high and stable current generation, whereas ethanol, formate, lactate, and amino acids induced varying degrees of inhibition depending on their concentration. Residual sugars caused pronounced current fluctuations, consistent with ongoing fermentation and local pH changes. A diverse microbial community was crucial for efficiently utilizing complex organics and maximizing electrochemical performance. These results demonstrate how and to what extent substrate composition regulates zero-gap MEC performance and that microbial community and operational conditions can be leveraged to enhance performance. These novel findings provide practical guidance for achieving robust hydrogen recovery from chemically heterogeneous real liquid waste streams.

08 HYDROGEN↗
DOE OSTI2022

Throughput Optimization of Molybdenum Carbide Nanoparticle Catalysts in a Continuous Flow Reactor Using Design of Experiments

Transition metal carbides (TMCs) have attracted significant attention because of their applications toward a wide range of catalytic transformations. However, the practicality of their synthesis is still limited because of the harsh conditions in which most TMCs are prepared. Recently, a solution-phase synthesis of phase-pure a-MoC1-x nanoparticles was presented. While this synthetic route yielded nanoparticles with exceptional catalytic performance, the reaction parameter space was not explored, and catalyst throughput was not optimized for scale-up. Continuous flow platforms coupled with statistical design of experiments (DoE) can provide a powerful method for understanding the reaction parameter space for optimizations. Here, we demonstrate the use of statistical DoE in tandem with response surface methodology for a parametric screening analysis to optimize the throughput of a MoC1-x nanoparticle synthesis utilizing a millifluidic flow reactor. A full factorial design was implemented to evaluate four input variables (reaction temperature, flow rate, solvent fraction of oleylamine, and precursor concentration) that carry statistically significant effects on three responses (throughput, residence time, and isolated yield). A Doehlert matrix was implemented to investigate each significant variable at a higher number of levels to optimize throughput. Our results give a nonintuitive set of experimental conditions that resulted in an optimized throughput of 2.2 g h-1. This translates to a 50-fold increase in throughput compared to the previously reported batch method. The catalytic performance of the MoC1-x nanoparticles produced under optimized throughput was demonstrated in the CO2 hydrogenation reaction. This DoE screening analysis and throughput optimization of MoC1-x synthesis open the door to an increased feasibility for scale-up.

design of experiments↗
DOE OSTI2021

Microstructural impacts on ionic conductivity of oxide solid electrolytes from a combined atomistic-mesoscale approach

Abstract Although multiple oxide-based solid electrolyte materials with intrinsically high ionic conductivities have emerged, practical processing and synthesis routes introduce grain boundaries and other interfaces that can perturb primary conduction channels. To directly probe these effects, we demonstrate an efficient and general mesoscopic computational method capable of predicting effective ionic conductivity through a complex polycrystalline oxide-based solid electrolyte microstructure without relying on simplified equivalent circuit description. We parameterize the framework for Li 7- x La 3 Zr 2 O 12 (LLZO) garnet solid electrolyte by combining synthetic microstructures from phase-field simulations with diffusivities from molecular dynamics simulations of ordered and disordered systems. Systematically designed simulations reveal an interdependence between atomistic and mesoscopic microstructural impacts on the effective ionic conductivity of polycrystalline LLZO, quantified by newly defined metrics that characterize the complex ionic transport mechanism. Our results provide fundamental understanding of the physical origins of the reported variability in ionic conductivities based on an extensive analysis of literature data, while simultaneously outlining practical design guidance for achieving desired ionic transport properties based on conditions for which sensitivity to microstructural features is highest. Additional implications of our results are discussed, including a possible connection between ion conduction behavior and dendrite formation.

25 ENERGY STORAGE↗
DOE OSTI2023

Anodic Dissolution Rates Accelerate with Decreasing MoS 2 Nanoflake Thickness

Electrochemical gating of 2D transition metal dichalcogenide (TMD) electrodes is an emerging frontier in the field of semiconductor electrochemistry. In this approach, an applied bias modifies the charge carrier concentration of the 2D TMD, causing band edge shifts and drastic changes in charge transfer rates. However, leveraging this effect for (photo)electrocatalysis is practically limited by the stability of the TMD material under gating conditions. Gerischer showed anodic dissolution of bulk TMD electrodes can occur in the dark and hypothesized that the reaction proceeds via an electron tunneling mechanism from surface states to the TMD conduction band [H. Gerischer, D. Ross, and M. Lubke, Z. Physickalische Chem., 139, 1 (1984)]. Here we investigate this possibility in single MoS 2 nanoflakes using in situ optical microscopy and explore whether Gerischer’s electron tunneling mechanism can explain anodic dissolution rates of thin 2D semiconductors. Here, spatially resolved measurements show anodic dissolution initiates at perimeter edge sites and accelerates exponentially with decreasing layer thickness, consistent with Gerischer’s tunneling mechanism. Interestingly, single layer MoS 2 is impervious to anodic dissolution at applied potentials >200 mV more positive than those required to drive dissolution in bulk and multilayer-thick nanoflakes.

2D semiconductor↗
DOE OSTI2025

Accurate and Fast Anomaly Detection in Additive Composite-Based Manufacturing using Thermal Cameras

Today, large-scale additive manufacturing with plastics and composite materials requires continuous monitoring by experienced staff to prevent, detect and correct anomalous events affecting the performance of the printed part. We address the complexity of this demanding task by designing a camera-based anomaly detection system utilizing probabilistic principal component analysis (PPCA). This is a machine learning technique is trained with thermal images collected during normal operation of the large-scale printer (Cincinnati BAAM). This technique is advantageous for practical applications as there is no need to artificially introduce anomalous conditions into model training. During deployment, we challenge this model by introducing deliberate variations of the extruder speed. We reduce extrusion speed to a lower level, between 70 and 95% of the nominal value to collected test images. Our results show that images are easily identified as anomalous for extruder speeds at or below 85% of the nominal speed, meaning that an anomalous reduction of the material deposition rate can be detected within seconds of its onset. We show that our results are robust to (a) camera-to-camera variability and (b) print-to-print variability.

Pike, John [ORNL]↗
DOE OSTI2021

Prognostics and Health Management in Nuclear Power Plants: An Updated Method-Centric Review With Special Focus on Data-Driven Methods

In a carbon-constrained world, future uses of nuclear power technologies can contribute to climate change mitigation as the installed electricity generating capacity and range of applications could be much greater and more diverse than with the current plants. To preserve the nuclear industry competitiveness in the global energy market, prognostics and health management (PHM) of plant assets is expected to be important for supporting and sustaining improvements in the economics associated with operating nuclear power plants (NPPs) while maintaining their high availability. Of interest are long-term operation of the legacy fleet to 80 years through subsequent license renewals and economic operation of new builds of either light water reactors or advanced reactor designs. Recent advances in data-driven analysis methods—largely represented by those in artificial intelligence and machine learning—have enhanced applications ranging from robust anomaly detection to automated control and autonomous operation of complex systems. The NPP equipment PHM is one area where the application of these algorithmic advances can significantly improve the ability to perform asset management. This paper provides an updated method-centric review of the full PHM suite in NPPs focusing on data-driven methods and advances since the last major survey article was published in 2015. The main approaches and the state of practice are described, including those for the tasks of data acquisition, condition monitoring, diagnostics, prognostics, and planning and decision-making. Research advances in non-nuclear power applications are also included to assess findings that may be applicable to the nuclear industry, along with the opportunities and challenges when adapting these developments to NPPs. Finally, this paper identifies key research needs in regard to data availability and quality, verification and validation, and uncertainty quantification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗