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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Additive Manufacturing Case Study Test Report

Sandia National Labs collaborated with Oak Ridge National Laboratory on a case study examining additive manufacturing opportunities for Geothermal applications. The study focused on designing components with improved performance characteristics that cannot be fabricated conventionally. A rotor for a downhole motor was chosen based on the potential for improving its rotational dynamics. Topology optimization was used as a design method to reduce the rotational inertia of the part while preserving sufficient rotational stiffness to transmit the torque required for the drilling application. The optimization resulted in a nearly 50% reduction in polar moment of inertia while maintaining other desired performance characteristics. The design developed using the topology optimization approach was fabricated using additive manufacturing and cannot be fabricated conventionally.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Additive Manufacturing Case Study

Geothermal technologies include an extremely wide range of products required for well construction, completion, production, intervention and surface energy conversion activities. Many of these products are geometrically complex, require multi-step and highly specialized fabrication processes, and are expensive due to the low production numbers typically associated with the geothermal market. These challenges along with the high temperature demands of the geothermal environment have also hindered the adoption of many tools routinely used in the oil & gas industry.Recent advancements in Additive Manufacturing (AM) materials of construction, build volumes and part quality have transitioned the technology from primarily cosmetic prototyping applications to the point where AM can be used to make production parts, even for the most demanding applications. These improved AM capabilities along with the inherent ability of AM to produce complex parts and, in some cases, geometries that cannot be manufactured using conventional casting, machining and joining fabrication approaches motivate an exploration of its potential to positively impact geothermal well construction and operations technologies.Sandia National Labs collaborated with Oak Ridge National Laboratory on a case study examining additive manufacturing opportunities for Geothermal applications. The study focused on designing components with improved performance characteristics that cannot be fabricated conventionally. A rotor for a downhole motor was chosen based on the potential for improving its rotational dynamics. Topology optimization was used as a design method to reduce the rotational inertia of the part while preserving sufficient rotational stiffness to transmit the torque required for the drilling application. The optimization resulted in a nearly 50% reduction in polar moment of inertia while maintaining other desired performance characteristics. The design developed using the topology optimization approach was fabricated using additive manufacturing and cannot be fabricated conventionally. This paper will discuss the design approach, performance improvements and manufacturing methods used to produce the part.

Polsky, Yarom↗
DOE OSTI2021

Assessment of the BISON Metallic Fuel Performance Models

The US Department of Energy is leading a project to design and construct a fast spectrum test reactor called the Versatile Test Reactor (VTR). The BISON nuclear fuel performance code will be used to model VTR driver fuel, including looking at the effects of differences between the VTR driver fuel element design and the legacy fuel designs and experiments on which it is based. Simulations will be conducted to help determine whether the design’s behavior and performance are properly understood and to assess the margins to cladding failure and fuel melting relative to those predicted for past metallic fuel experiments. These predictions are expected to streamline VTR design and operation by helping inform the VTR driver fuel element design and by providing supplemental information for the fuel design safety basis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Gasification of Coal and Biomass: The Route to Net-Negative-Carbon Power and Hydrogen

One promising process that is a candidate for meeting the goals of the US Department of Energy’s 21st Century Power Plant initiative is to gasify a mixture of coal and biomass to yield a syngas, which can have CO2 removed and then be used to produce hydrogen as well as an off-gas that can be used to flexibly produce power. This concept would overall be carbon net-negative and readily meet the 21st Century Power Plant initiative targets of smaller scale MW generation, high ramp rates and turndown, feedstock flexibility, and high efficiency—at a reasonable cost. Moreover, adding the large-scale production of “ultra-green” hydrogen yields a system tailored for the coming hydrogen economy, providing long-term energy storage and an attractive co-product for sale. The objective of the work being led by the Electric Power Research Institute, Inc. (EPRI), with support by Bechtel Corporation (Bechtel), Gas Technology Institute (GTI), Hamilton Mauer International, Inc. (HMI), Nebraska Public Power District (NPPD), NexantECA, Inc. (Nexant), and Wärtsilä, is to perform a front-end design and engineering (FEED) study on an oxygen-blown gasification system coupled with water-gas shift, pre-combustion CO2 capture, and pressure-swing adsorption working off a coal/biomass mix to yield high-purity hydrogen and a fuel off-gas that can generate power. Several designs are being considered that will be capable of producing 50 MW net from a flexible generator, over 8500 kg/hr of hydrogen, and net-negative CO2 emissions, at an efficiency of 50% net HHV. The plant would be hosted at an NPPD site, where opportunities for enhanced oil recovery and sequestration have been investigated and the need for low-carbon power and hydrogen is imminent. The principal biomass to be used is corn stover—prevalent in Nebraska where the plant will be located—mixed with Powder River Basin (PRB) coal, necessitating a gasifier that can use this feedstock and be flexible to allow other types. Waste plastics will also be reviewed for use. Two oxygen-blown gasifiers have been identified as candidates that have done testing with biomass including corn stover: the GTI gasifier—a high-pressure, fluidized-bed type—and HMI’s, a lower pressure moving-bed type. Both have relative advantages that were investigated in the Phase I design study, with a resultant down select of one system for which the FEED will be performed in Phase II. The technical tasks for the project are: • Design Development: Completion of design activities necessary to provide inputs for the FEED study. Multiple design cases will be assessed with the selection of the optimal one for the FEED. • Investment Case Preparation: Development of the draft investment case for the proposed process with business cases performed for the proposed host site and two other locations. • Host Site Selection: Evaluation of the two potential host sites within NPPD’s portfolio to select the preferred candidate based on technical, economic, and environmental considerations. • Environmental Information Volume (EIV) Development: Completion of the EIV for the host site. • FEED Study: Completion of a FEED study based on the design selected in Phase I. A Greenhouse Gas Life Cycle Analysis will also be performed for the process. • Update Investment Case: Finalization of the investment case based on findings from the FEED. The advantages of the proposed project are significant. Having an engaged U.S. power utility willing to provide a host site that will produce energy from coal plus a deep and experienced team is critical; the process meets all the goals of DOE’s 21st Century Power Plant initiative at an estimated total plant cost of ~$880M and a production cost of hydrogen of ~$2/kg-H2 while producing net-negative carbon power. If developed, this process has real commercial potential in the United States—supported by EPRI’s initial review of the considerable interest from selected U.S. utilities—and elsewhere around the globe. The process has fewer environmental hurdles compared to other concepts, lowering regulatory and protest risks—providing a pathway to preserving the viability of a critical indigenous energy source by transforming its use to match a changing world. This presentation outlines the motivation for the effort, summarizes project plans, work completed to date, results of the Phase I effort and, and detailed work scope for the remainder of the project in the Phase II FEED effort.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Co-optimization of fuel properties, combustion system geometry, and injection strategy for conventional diesel fuel

Here, studies have shown that fuel properties can impact an engine’s operation in several ways, including ignition delay, sooting tendency, mixture formation, and combustion temperature. In mixing-controlled compression ignition (MCCI) engines, the fuel system design and piston bowl geometry significantly affect combustion performance and emissions. Based on current information, it is difficult to draw conclusions about fuel property effects and sensitivities. The central fuel hypothesis approach used in the US Department of Energy Co-Optima program has worked well for spark ignition fuels: identifying critical fuel property ranges is sufficient to screen fuel blends that are expected to maximize efficiency and reduce pollutant emissions. However, for MCCI-relevant fuels, the information gained from past studies is not sufficient to build such a merit function or to allow for performing a similar screening of fuel blends. It is hypothesized that a co-optimization of a fuel’s physical and chemical properties, combustion system geometry, and injection strategy could leverage synergies between the effects of the fuel properties and geometries, resulting in improved performance over state-of-the-art. A machine learning–assisted unconstrained global optimization algorithm was used to explore a design space comprising 23 independent variables. The results show that physical property effects were minimal even for large variations in fuel properties, and the only interaction effect that was observed was the effect of varied fuel density parameters on fuel/air mixture formation. Nevertheless, these interactions were not sufficient in magnitude to significantly affect optimization results. Therefore, analysis of the results suggests that fuel physical properties cannot be leveraged in a co-optimization context to increase engine efficiency.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Design complexity and performance analysis in additively manufactured heat exchangers

The main objective of this research is to investigate the tradeoffs between design complexity and thermal performance in additively manufactured metallic heat exchangers. Such heat exchangers have become a favorite topic for investigation in various fields ranging from air conditioning to aircraft gas turbine engines. In particular, high manufacturing cost has emerged as the major drawback in broad applications of manifold-microchannel heat exchanger (MMHXs). The possibility of cost-effective manufacturing has generated wide interest in applying additive manufacturing (AM) for fabricating MMHXs. Furthermore, AM technologies will provide an opportunity for enhanced design and superior heat transfer performance. In this study, innovative MMHXs are designed and fabricated through selective laser melting. An experimental setup was designed to measure pressure drop and heat transfer for the developed MMHXs with a wide range of Reynolds numbers. Furthermore, the coefficient of performance was calculated based on the heat flow rate, air pressure drop, and air flow rate. Measurement results demonstrated that in some scenarios adding more internal features, i.e., increasing design complexity, does not necessarily improve the MMHX performance.

10 SYNTHETIC FUELS↗
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 OSTI2024

Game Theoretic Orchestration for Cooperation among Power Distribution System Applications

The evolving transformation with the proliferation of distributed energy resources and advanced metering, necessitates advanced distribution systems to integrate and orchestrate a large number of grid-edge devices while also serving multiple system-level objectives such as resilience, decarbonization, equity and other system mandates. The parallel deployment and control of resources towards achieving diverse objectives may lead to conflicts between applications that want to control overlapping sets of device setpoints, potentially leading to oscillatory behavior and suboptimal performance. This work aims at leveraging game theoretic framework to drive cooperative behavior among competitive applications. The work proposes a weighted-consensus based game design to facilitate conflict resolution through consensus-building iterations for modular platform. Simulation-based evaluation on a sample test system demonstrates the performance the proposed deconfliction strategy in resolving operational conflicts and achieving close-to-optimal trade off among the applications. Results also compare the proposed strategy with a distribution optimization approach and illustrate it effectiveness in diverse apps regardless of their design while also incentivizing apps with flexible design.

Advanced distribution operations, cooperation, app↗
DOE OSTI2025

Decoding the Oxygen Activity with Iron through Ligand-to-Metal Charge Transfer in Li-Rich Layered Cathodes

The quest for high-energy-density and cost-effective cathode materials has revitalized lithium-rich iron-based oxides, where Fe 3+ ions with their stable half-filled d 5 electronic configuration demonstrate unique potentials in regulating oxygen redox activity through ligand-to-metal charge transfer. Using operando 57 Fe Mössbauer spectroscopy, synchrotron X-ray techniques, and density functional theory calculations, we unravel the enhanced Fe–O redox activity through the LMCT process and the concomitant evolution of local structure distortion in the Li-rich layered system Li 1.2 MO 2 (M = Ni, Mn, Fe). The metastable Fe 4+ intermediates facilitate early activation of oxygen redox through LMCT along with increased delithiation at a lowered potential (below 4.5 V). Here, this process inherently suppresses Jahn–Teller distortion of Fe 4+ and exhibits Fe–O redox dominance over conventional Fe 3+ /Fe 4+ redox in Li-rich oxides. The Fe–O coupling redox exhibits improved initial Coulombic efficiency and 95% capacity retention over 200 cycles at 4.4 V. However, the LMCT process is accompanied by aggravated cation migration and voltage fade at low cutoff potentials, which requires further mitigation for the utilization of Fe–O redox. Overall, these findings demonstrate the regulating mechanism of iron for oxygen redox through LMCT and provide fundamental insights into the design principles for high-performance, cost-effective iron-based cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anion Vacancies Coupling with Heterostructures Enable Advanced Aerogel Cathode for Ultrafast Aqueous Zinc‐Ion Storage

As a potential cathode material, manganese-based sulfide has recently attracted increasing interest due to its many advantages in aqueous zinc-ion storage. Unfortunately, some challenges such as sluggish kinetics, unstable structure, and controversial phase transition mechanism during the energy storage process hinder its practical application. Herein, inspired by density functional theory (DFT) calculations, a novel 3D sulfur vacancy-rich and heterostructured MnS/MXene aerogel is designed, and used as a cathode for aqueous Zn-ion batteries/hybrid capacitors (ZIBs/ZICs) for the first time. Thanks to the synergistic modification strategy of sulfur vacancies and heterostructures, the as-constructed MnS/MXene//Zn ZIBs exhibit significantly enhanced electrochemical properties, especially outstanding rate capability and cyclic stability. More encouragingly, the as-assembled MnS/MXene//porous carbon (PC) ZICs exhibit an ultrahigh energy density, a high power density, and a splendid cycling lifespan. Most notably, systematic kinetic analyses, ex situ characterizations, and DFT calculations illustrate that MnS/MXene first irreversibly converts into MnO x @ZnMnO 3 /MXene, and then undergoes a reversible conversion from MnO x @ZnMnO 3 /MXene to MnOOH@ZnMn 2 O 4 /MXene, accompanied by the co-insertion/extraction of H + and Zn 2+ . Further, the synergistic modification strategy of sulfur vacancies and heterostructures and the thorough mechanistic study proposed in this work offer valuable guidance for designing and exploiting high-performance cathodes in aqueous zinc-based energy storage devices.

25 ENERGY STORAGE↗
DOE OSTI2024

Designing complex concentrated alloys with quantum machine learning and language modeling

Designing novel complex concentrated alloys (CCAs) is an essential topic in materials science. However, due to the complicated high-dimensional component-property relationship, tuning material properties by researchers’ experience is challenging, even when guided by physical or empirical rules. Here, we adopt quantum computing (QC) technology and machine learning models to provide a proof-of-concept application of QC in physical metallurgy. We propose a quantum support vector machine (QSVM) model to predict single-phase CCAs. We show that fine-tuned quantum kernels with entanglement deliver promising performance, with a maximum accuracy of 89.4%. The QSVM model is then used to identify 1,741 lightweight CCAs jointly with a new text-mining-based method. Meanwhile, we devise a controllable approach to study the effect of noise on model performance and find that the noise level needs to be minimized for high-performance QSVM models. Finally, this study provides a practical and general approach to designing CCAs based on quantum technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Toward performance-portable PETSc for GPU-based exascale systems

The Portable Extensible Toolkit for Scientific computation (PETSc) library delivers scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization. The PETSc design for performance portability addresses fundamental GPU accelerator challenges and stresses flexibility and extensibility by separating the programming model used by the application from that used by the library, and it enables application developers to use their preferred programming model, such as Kokkos, RAJA, SYCL, HIP, CUDA, or OpenCL, on upcoming exascale systems. Furthermore, a blueprint for using GPUs from PETSc-based codes is provided, and case studies emphasize the flexibility and high performance achieved on current GPU-based systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Nanopore Activity Assays for Detection of Biomarker Protease Activity: Design and Testing of Substrates for Both Nanopore Sequencing and PCR-Based Detection Methods

The work performed in this project has demonstrated the ability to construct proteolytic enzyme substrates that are PCR and sequencing-readable reporter molecules. Specifically, the goal was to detect those reporter molecules via PCR and Oxford Nanopore Technologies MinION sequencing methods following exposure to the biomarker protease thrombin. The assay development focused on binding the constructed peptide-oligonucleotide chimera to immobilized streptavidin. The action of thrombin on the peptide portion of the molecule released the oligonucleotide for detection. Detection of protease activity was demonstrated in a concentration-dependent manner using MALDI-MS, RT-PCR and DNA sequencing. Additional steps to remove background release of reporter molecules during the assay was used to improve the difference in detected oligonucleotide reporter following protease activity. Additional steps in assay development will be to (1) test the assay in an appropriate matrix, (2) investigate detection using additional DNA sequencing platforms and (3) demonstrate multiplexed detection of multiple protease markers in a single reaction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Creep Deformation and Damage Mechanisms in an Advanced High-Temperature Additively Manufactured Nickel-Base Superalloy

Abstract This research investigates the processing–structure–properties–performance relationship in a novel nickel-base superalloy, ABD ® -900AM, designed for extreme environments. Specifically tailored for additive manufacturing (AM), ABD ® -900AM maintains mechanical integrity at high temperatures and is comparable to other nickel-based superalloys with a 30–40% gamma-prime volume fraction. A comprehensive study was conducted using laser-beam powder bed fusion and electron-beam powder bed fusion methods. Factors such as heat treatment, porosity, build orientation, and hot isostatic pressing were evaluated to understand their effects on microstructure and mechanical performance. Microstructural characterization revealed significant differences in grain size and orientation across build processes and heat treatments. High-temperature mechanical testing indicated that grain size, heat treatment, and orientation significantly influence creep behavior. A super-solvus heat treatment led to recrystallization and grain growth, significantly improving creep properties compared to a near-solvus heat treatment. Various creep mechanisms were identified across different conditions, and creep rupture models were developed for each build process. Post-test microstructural analysis showed grain boundary damage, with differences in creep cavitation morphology under varying stress conditions. It was shown that MC carbides grow at the expense of gamma-prime near grain boundaries, leading to precipitate-free zones in specimens tested at higher temperatures. This study fills a significant gap in fundamental research by offering a deeper insight into the high-temperature mechanical behavior of additively manufactured nickel-base superalloys. It also explores critical research questions regarding the role of carbides and the significance of heat treatment. The insights gained enhance confidence in the industry adoption of ABD ® -900AM and similar alloys for high-temperature applications, bridging the knowledge gap and supporting the development of reliable AM processes for extreme environments.

Bridges, Alex (ORCID:000000030338759X)↗
DOE OSTI2022

Development and Demonstration of a Risk-Informed Approach to the Regulatory Required Fuel Reload Safety Analysis

The United States (U.S.) nuclear industry is facing a strong challenge to maintain regulatory-required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects related to the operation of light water reactor (LWR) nuclear power plants (NPPs) and can be achieved more economically by using a risk-informed ecosystem such as that being developed by the Risk-Informed Systems Analysis (RISA) Pathway under the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program. The LWRS Program is promoting a wide range of research and development (R&D) activities with the goal to maximize both the safety and economically efficient performance of NPPs through improved scientific understanding, especially given that many plants are considering second license renewal. The RISA Pathway has two main goals: (1) the deployment of methodologies and technologies that enable better representation of safety margins and the factors that contribute to cost and safety; and (2) the development of advanced applications that enable cost-effective plant operation. The plant reload optimization framework development project aims to build an artificial intelligence, i.e., Genetic Algorithm (GA), based reactor core designing tool taking into account reactor safety and fuel performance analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Nonlinear burn control in ITER using adaptive allocation of actuators with uncertain dynamics

Abstract ITER will be the first tokamak to sustain a fusion-producing, or burning, plasma. If the plasma temperature were to inadvertently rise in this burning regime, the positive correlation between temperature and the fusion reaction rate would establish a destabilizing positive feedback loop. Careful regulation of the plasma’s temperature and density, or burn control, is required to prevent these potentially reactor-damaging thermal excursions, neutralize disturbances and improve performance. In this work, a Lyapunov-based burn controller is designed using a full zero-dimensional nonlinear model. An adaptive estimator manages destabilizing uncertainties in the plasma confinement properties and the particle recycling conditions (caused by plasma–wall interactions). The controller regulates the plasma density with requests for deuterium and tritium particle injections. In ITER-like plasmas, the fusion-born alpha particles will primarily heat the plasma electrons, resulting in different electron and ion temperatures in the core. By considering separate response models for the electron and ion energies, the proposed controller can independently regulate the electron and ion temperatures by requesting that different amounts of auxiliary power be delivered to the electrons and ions. These two commands for a specific control effort (electron and ion heating) are sent to an actuator allocation module that optimally maps them to the heating actuators available to ITER: an electron cyclotron heating system (20 MW), an ion cyclotron heating system (20 MW), and two neutral beam injectors (16.5 MW each). Two different actuator allocators are presented in this work. The first actuator allocator finds the optimal mapping by solving a convex quadratic program that includes actuator saturation and rate limits. It is nonadaptive and assumes that the mapping between the commanded control efforts and the allocated actuators (i.e. the effector model) contains no uncertainties. The second actuator allocation module has an adaptive estimator to handle uncertainties in the effector model. This uncertainty includes actuator efficiencies, the fractions of neutral beam heating that are deposited into the plasma electrons and ions, and the tritium concentration of the fueling pellets. Furthermore, the adaptive allocator considers actuator dynamics (actuation lag) that contain uncertainty. This adaptive allocation algorithm is more computationally efficient than the aforementioned nonadaptive allocator because it is computed using dynamic update laws so that finding the solution to a static optimization problem is not required at every time step. A simulation study assesses the performance of the proposed adaptive burn controller augmented with each of the actuator allocation modules.

Physics↗
DOE OSTI2021

Results of the 2018 Wood Stove Design Challenge

The 2018 Wood Stove Design Challenge was an international design competition which sought to identify top performing residential wood stoves based on automation. To prepare for the event, the Northeast States for Coordinated Air Use Management (NESCAUM) developed a testing protocol that challenged the stoves by testing them in more field-like conditions—capturing emissions from start-up, reloading a stove, and the use of larger piece sizes. Flue gas emissions were measured using a combination of in-stack and novel dilution sampling methods, as the event occurred on the National Mall in Washington D.C. in a non-laboratory setting. Particulate matter (PM), carbon monoxide (CO), carbon dioxide (CO2), and methane (CH4) were measured from three stoves in real-time. A combustion efficiency was also calculated for each stove in real-time. Measured PM emission rates ranged between 1.8 and 8.0 g/hr for all stoves and operating conditions, with the highest emissions being measured during cold start in all cases. The test average PM emission rates were 2.4, 4.0, and 2.4 g/hr for stoves A, B, and C, respectively. Results showed emissions measured during transient operations, which are often excluded in current certification methods, can be significantly higher than steady-state periods—echoing other studies and highlighting the importance of testing in various operational modes for more realistic emission estimates. Additionally, the stoves had overall CO emission rates of 48.8, 284.8, and 100.8 g/hr, for stoves A, B and C, respectively. Calculated PM and CO emission factors overall were low considering the testing protocol sought to follow more challenging yet realistic practices in terms of fuel loading and operating procedures. The overall estimated combustion efficiency for stoves A, B, and C was 85%, 78%, 76%, respectively and in all cases was lowest during the cold start period.This report details the successfully proposed and assembled instrumentation that was relatively portable for field-site testing and the results of the emissions measurements for the 2018 Wood Stove Design Challenge competition. Overall, the repeatability of each stove was favorable with coefficients of variation (COV) ranging from 7 to 15% for measured PM concentrations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing

Ir oxides are costly and scarce catalysts for oxygen evolution reaction (OER) in acid. There has been extensive interest in developing alternatives that are either Ir-free or require smaller amounts of Ir to drive the reactions at acceptable rates. One design strategy is to identify Ir-based mixed oxides that achieve similar performance while requiring smaller amounts of Ir. The obstacle to this strategy has been a very large phase space of the Ir-based mixed metal oxides, in terms of the metals combined with Ir and the different crystallographic structures of the mixed oxides, which prevents a thorough exploration of possible materials. In this work, we developed a workflow that uses machine-learning-aided Bayesian optimization in combination with density functional theory to make the exploration of this phase space plausible. This screening identified Mo as a promising dopant for forming acid-tolerant Ir-based oxides for the OER. We synthesized and characterized the Ir–Mo mixed oxides in the form of thin-film electrocatalysts with a known surface area. We show that these mixed oxides exhibited overpotentials ~30 mV lower than a pure Ir control while maintaining 24% lower Ir dissolution rates than the Ir control. Furthermore, these findings suggest that Mo is a promising dopant and highlight the promise of machine learning to guide the experimental exploration and optimization of catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗