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At least 955 records · Page 53

Contrasting Stratospheric Smoke Mass and Lifetime From 2017 Canadian and 2019/2020 Australian Megafires: Global Simulations and Satellite Observations

Stratospheric injections of carbonaceous aerosols and combustion gases by extreme wildfires have become increasingly common. Recent “megafires,” particularly large and intense fires, delivered particulate burdens to the lower stratosphere comparable to those of moderate volcanic eruptions. The 2017 Canadian megafire generated four large Pyrocumulonimbi (pyroCbs), injecting up to ≈0.3 Tg of smoke in the lower stratosphere. Even more extreme, the 2019/2020 Australian event produced a pyroCb activity resulting in stratospheric smoke intrusions of ≈1 Tg. To understand their contrasting behavior, we present global climate simulations of the atmospheric response to these events, applying smoke burdens informed by remote observations. Model outcomes, compared to satellite data of smoke transport, reproduce reasonably well the initial plume rise, at 0.2–0.3 km/day, attaining heights of ≈20 km in Canada and above 30 km in Australia. Global dispersal of the plume occurs within about 3 weeks in both cases, consistent with observations. Smoke removal timescales, ≈5 months for the Canadian megafire, agree with remote measurements. During the Australian megafire, observations indicate stratospheric injections three times as large, and models predict comparatively longer smoke lifetimes, ≈16 months. After the latter event, atmospheric optical depths and radiative cooling achieved values close to those measured following the Pinatubo eruption. Sensitivity tests of model assumptions indicate, in accord with prior studies, that smoke burden, injection heights, and black carbon content can determine plume evolution and possible climate impacts. An empirical relation between peak heights of stratospheric plumes and lifetimes is derived that can help assess megafire impacts on the stratosphere, climate and the Earth system

54 ENVIRONMENTAL SCIENCES↗

Laminar-to-turbulent flame transition and cycle-to-cycle variations in large eddy simulation of spark-ignition engines

This paper investigates the effect of laminar-to-turbulent flame transition modeling on the prediction of cycle-to-cycle variations (CCVs) in large eddy simulation (LES) of spark-ignition (SI) engines. A laminar-to-turbulent flame transition model that describes the non-equilibrium sub-filter flame speed evolution during an early stage of flame kernel growth is developed. In the present model, the flame transition is characterized by the flame kernel size at which the flame transition ends, defined here as the flame transition scale. The proposed model captures the effects that variations in a turbulent flow field have on the evolution of early-stage burning rates, through variations in the flame transition scale. The proposed flame transition model is combined with the front propagation formulation (FPF) method and a spark-ignition model to predict CCVs in a gasoline direct injection SI engine. It is found that multi-cycle LES with the proposed flame transition model reproduces experimentally-observed CCVs satisfactorily. When the transition model is not considered or when variations in the transition process are neglected, CCVs are significantly under-predicted for the case considered here. These results indicate the importance of modeling the laminar-to-turbulent flame transition and the effect of turbulence on the transition process, when predicting CCVs, under certain engine conditions. The LES results are also used to analyze sources for variations in the flame transition. It is found, for the present engine case, that the most important source is the cycle-to-cycle variation in the turbulence dissipation rate, which is used to measure the strength of turbulence in the proposed model, near a spark plug. The large-scale velocity field and the variations of the laminar flame speed due to the mixture composition and thermal stratification are also found to be important factors to contribute to the variations in the flame transition.

42 ENGINEERING↗

Demonstration and technoeconomic analysis of dodecanol production from acetate using metabolically engineered Escherichia coli

In a circular bioeconomy, the one-way conversion of petroleum to chemicals and CO 2 is replaced with processes that reduce CO 2 to energy carriers and useful materials that are returned to CO 2 upon combustion. A circular bioeconomy that relies on photosynthesis to generate sugars as the chief energy carrier and precursor to chemical building blocks has yet to overcome many recalcitrant aspects of plant-based photosynthesis, namely, high feedstock costs, arable land scarcity, food competition, and fertilizer overuse. Acetate is a potential sustainable energy carrier because it can be produced from CO 2 either electrocatalytically or by acetogens via the Wood-Ljungdahl pathway. Here, in this work, we conducted a metabolic engineering study of Escherichia coli 's ability to convert acetate into dodecanol as a model oleochemical product. We performed techno-economic and life cycle analyses to determine break-even points with alternative fossil fuel-based strategies and identified critical process performance parameters for supporting an industrial acetate-based bioprocess. These analyses showed that oleochemical yield is the primary driver of minimum oleochemical selling price and carbon intensity. Therefore, to increase yield on acetate, we deleted the aceBAK operon, which facilitates funneling of acetate into biomass instead of product. We performed additional strain engineering to increase flux towards dodecanol and increase acetate uptake. Finally, we demonstrated increased yield in controlled bioreactors, improving from 13% of the maximum theoretical yield to 37%. Rigorous uncertainty analyses assuming a range of market conditions and future technological performances resulted in 88% and 37% of simulated scenarios having lower carbon intensities than fossil fuel-based routes and lower minimum selling prices than the market price.

Acetate↗

Modeling Ethanol-Blend Fuel Sprays under Direct-Injection Spark-Ignition Engine Conditions

Computational modeling of fuel-injection and fuel-impingement processes was carried out to provide insight into previous experimental results obtained from a direct-injection spark-ignition research engine operated with various ethanol and aromatic fuel blends. Seven model fuels were evaluated using both single- and split-injection strategies. Model results showed that droplet vaporization enriched the concentrations of aromatic species in the liquid phase, especially those with low vapor pressure, and ethanol-containing fuels altered droplet sizes and led to increased liquid-phase mass in the cylinder. For the spray-modeling conditions studied, most of the injected fuel remained in the liquid phase, which would be expected to result in more fuel impingement on cylinder or piston surfaces. Fuel impinging on lower cylinder-temperature surfaces was found to create wall films that could interact with the piston during the compression stroke. Fuel impinging on hotter piston-temperature surfaces vaporized more readily, but for fuels with high ethanol and aromatic content, wall films remained and were highly concentrated with lower vapor pressure and aromatic compounds. These films could lead to pool fires during combustion and therefore significant particulate matter emissions.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

A Software/Hardware Framework for Efficient and Safe Emergency Response in Post-Crash Scenarios of Battery Electric Vehicles

The adoption rate of battery electric vehicles (EVs) is rapidly increasing. Electric vehicles differ significantly from conventional internal combustion engine vehicles and vary widely across different manufacturers. Emergency responders (ERs) and recovery personnel may have less experience with EVs and lack timely access to critical information such as the extent of the stranded energy present, high-voltage safety hazards, and post-crash handling procedures in a user-friendly manner. This paper presents a software/hardware interactive tool named Electric Vehicle Information for Incident Response Solutions (EVIRS) to aid in the quick access to emergency response and recovery information. The current prototype of EVIRS identifies EVs using the VIN or Make, Model, and Year, and offers several useful features for ERs and recovery personnel. These features include integration and easy access to emergency response procedures tailored to an identified EV, vehicle structural schematics, the quick identification of battery pack specifications, and more. For EVs that are not severely damaged, EVIRS can perform calculations to estimate stranded energy in the EV’s battery and discharge time for various power loads using either EV dashboard information or operational data accessed through the CAN interface. Knowledge of this information may be helpful in the post-crash handling, management, and storage of an EV. The functionality and accuracy of EVIRS were demonstrated through laboratory tests using a 2021 Ford Mach-E and associated data acquisition system. The results indicated that when the remaining driving range was used as an input, EVIRS was able to estimate the pack voltage with an error of less than 3 V. Conversely, when pack voltage was used as an input, the estimated state of charge (SOC) error was less than 5% within the range of 30–90% SOC. Additionally, other features, such as retrieving emergency response guides for identified EVs and accessing lessons learned from archived incidents, have been successfully demonstrated through EVIRS for quick access. EVIRS can be a valuable tool for emergency responders and recovery personnel, both in action and during offline training, by providing crucial information related to assessing EV/battery safety risks, appropriate handling, de-energizing, transport, and storage in an integrated and user-friendly manner.

25 ENERGY STORAGE↗

Future Projections of Lifecycle Cost and Greenhouse Gas Emissions of Light-Duty Vehicles

Vehicles with electrified powertrains carry the promise of significant reductions in greenhouse gas (GHG) emissions from a lifecycle analysis (LCA) standpoint compared to conventional internal combustion engine (CICE) vehicles. However, trade-offs exist between different types of electrified powertrains in terms of cost, consumer acceptance, and GHG reduction efficacy for different operating conditions. The open-source tool CarGHG was developed with an aim to enable the exploration of a plethora of parametric study scenarios, including the cost of electrification technologies, different driving patterns and charging habits, and the cost and carbon intensity of electricity and fuel blends. This paper introduces the framework of CarGHG, then showcases total cost of ownership (TCO) and LCA GHG results for select models of light-duty vehicles. Another capability of CarGHG, which is the ability to estimate the performance of “virtual” vehicle models (perceived vehicle design specifications not yet on the market), is utilized to explore future scenarios of electrification and low-carbon fuel blends for Small Sports Utility Vehicles (SUVs), a popular light-duty vehicle segment in North America. With opportunities, but also uncertainties, in future scenarios, it is likely wise to continue pursuing multiple ways towards the reduction of LCA GHG.

Hamza, Karim↗

M2CT-22IN1202096 Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration

Coal is a globally abundant resource that historically has been used for power generation via combustion. As the power industry replaces coal with cleaner methods of generation, energy-rich coal could be used in other chemical and fuel applications. This study presents a coal utilization option in which coal combustion is replaced with a carbon-free nuclear power plant and the coal is upgraded to valuable products for a variety of markets. Coal is prepared for conversion first by the pyrolysis process, which will optimize solid, liquid, and gaseous products based on the market size and potential product value, maximizing the monetary value of coal. This process is designed using bituminous coal from the Appalachian region as a basis to provide a pathway to preserve or transition coal-related jobs and create new jobs associated with the clean energy transition. Process modeling in the AspenOne Suite will be used to determine each component’s sensitivities, costs, inputs, and outputs. Dispatch modeling in the FORCE toolset will optimize the entire system and calculate the NPV for the refinery lifetime. Advanced and light-water reactors are considerations to supply the heat, steam, and electricity to the process. This paper focuses on the technical and market analysis used to determine the optimal processes and product pathways for the carbon refinery. Product pathways are on activated carbon, formic acid synthesis, and methanol synthesis for further upgrading to marketable chemical and polymer products.

01 COAL, LIGNITE, AND PEAT↗

M2CT-22IN1202096 Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration

Coal is a globally abundant resource that historically has been used for power generation via combustion. As the power industry replaces coal with cleaner methods of generation, energy-rich coal could be used in other chemical and fuel applications. This study presents a coal utilization option in which coal combustion is replaced with a carbon-free nuclear power plant and the coal is upgraded to valuable products for a variety of markets. Coal is prepared for conversion first by the pyrolysis process, which will optimize solid, liquid, and gaseous products based on the market size and potential product value, maximizing the monetary value of coal. This process is designed using bituminous coal from the Appalachian region as a basis to provide a pathway to preserve or transition coal-related jobs and create new jobs associated with the clean energy transition. Process modeling in the AspenOne Suite will be used to determine each component’s sensitivities, costs, inputs, and outputs. Dispatch modeling in the FORCE toolset will optimize the entire system and calculate the NPV for the refinery lifetime. Advanced and light-water reactors are considerations to supply the heat, steam, and electricity to the process. This paper focuses on the technical and market analysis used to determine the optimal processes and product pathways for the carbon refinery. Product pathways are on activated carbon, formic acid synthesis, and methanol synthesis for further upgrading to marketable chemical and polymer products.

01 COAL, LIGNITE, AND PEAT↗

Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration (PCC)

Coal is a globally abundant resource that historically has been used for power generation via combustion. As the power industry replaces coal with cleaner methods of generation, energy rich coal could be used in other chemical and fuel applications. This study presents a coal utilization option in which coal combustion is replaced with a carbon-free nuclear power plant and the coal is upgraded to valuable products for a variety of markets. Coal is prepared for conversion first by the pyrolysis process, which will optimize solid, liquid, and gaseous products based on the market size and potential product value, maximizing the monetary value of coal. This process is designed using bituminous coal from the Appalachian region as a basis to provide a pathway to preserve or transition coal-related jobs and create new jobs associated with the clean energy transition. Process modeling will be used to determine each component’s sensitivities, costs, inputs, and outputs Advanced and light-water reactors are considerations to supply the heat, steam, and electricity to the process. This paper focuses on the technical and market analysis used to determine the optimal processes and product pathways for the carbon refinery. Product pathways are on activated carbon, formic acid synthesis, and methanol synthesis for further upgrading to marketable chemical and polymer products.

01 COAL, LIGNITE, AND PEAT↗

Source-Resolved Inversion of Elemental Carbon Emissions in California Using Log-Space Bayesian Inference

Elemental carbon (EC), operationally quantified by thermal-optical analysis, is widely used as a proxy for black carbon (BC) relevant to short-term climate forcing and public health. Current EC emission inventories remain highly uncertain, with persistent discrepancies between bottom-up and top-down estimates. In this study, we develop a source-resolved, log-space Bayesian inversion framework applied to estimate California’s statewide EC emissions in 2019. By integrating surface EC measurements from the EPA’s Air Quality System network with high-resolution source contributions simulated by a chemical transport model, we identify a one-third underestimation in the existing statewide EC inventory, requiring an increase of the total from a prior of 8.58 [5.49–13.75] Gg year–1 to a posterior estimate of 12.78 [10.71–15.37] Gg year–1. This discrepancy is primarily driven by substantial underestimations in the power and industrial and off-road mobile sectors. Furthermore, population-weighted exposure analysis reveals a marked sectoral divergence between emission mass and health burden: off-road mobile sources dominate both emissions and exposure, accounting for 31% of statewide exposure, while residential wood combustion contributes 26% of total exposure despite comprising only 19% of total emissions, due to its source proximity to population. These findings underscore the need to update sector-specific EC speciation profiles and demonstrate that mitigation strategies targeting off-road mobile sources and residential wood combustion are critical for reducing EC-related health impacts in California.

Zhang, Jie↗

Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks

Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges since these systems enable ever-increasing size and complexity. In recent years, there has been renewed interest in developing multirate methods as a means to handle the large range of time scales, as these methods may afford greater accuracy and efficiency than more traditional approaches of using implicit-explicit (IMEX) and low-order operator splitting schemes. However, to date there have been few performance studies that compare different classes of multirate integrators on complex application problems. In this work, we study the performance of several newly developed multirate infinitesimal (MRI) methods, implemented in the SUNDIALS solver package, on two reacting flow model problems built on structured mesh frameworks. The first model revisits prior work on a compressible reacting flow problem with complex chemistry that is implemented using BoxLib but where we now include comparisons between a new explicit MRI scheme with the multirate spectral deferred correction (SDC) methods in the original paper. The second problem uses the same complex chemistry as the first problem, combined with a simplified flow model, but runs at a large spatial scale where explicit methods become infeasible due to stability constraints. Two recently developed IMEX MRI multirate methods are tested. These methods rely on advanced features of the AMReX framework on which the model is built, such as multilevel grids and multilevel preconditioners. The results from these two problems show that MRI multirate methods can offer significant performance benefits on complex multiphysics application problems and that these methods may be combined with advanced spatial discretization to compound the advantages of both.

97 MATHEMATICS AND COMPUTING↗

Techno-Economic Optimization of Fixed Bed and Moving Bed Contactors for CO2 Capture from NGCC Plants Using a Functionalized Metal-Organic Framework

Amine-appended metal–organic frameworks (MOFs) have strong potential for post-combustion CO2 capture from NGCC plants. In this work, a specific tetramine-appended MOF, Mg2(dobpdc)(3-4-3) (dobpdc4− = 4,4′-dioxidobiphenyl-3,3′dicarboxylate; 3-4-3 = N,N′bis(3-aminopropyl)-1,4-diaminobutane), is evaluated due to its superior performance compared to other candidate diamine-appended and tetraamine-appended MOFs. Techno-economic optimization is performed to minimize the cost of capture by using the Framework for Optimization, Quantification of Uncertainty, and Surrogates (FOQUS), which is capable of optimizing systems by using derivative-free optimization solvers where process models are built using numerous modeling platforms. The technical and economic performances of both fixed bed and moving bed processes are compared with state-of-the-art amine-based solvent systems.

Hughes, Ryan↗

Effect of Power Plant Capacity on the CAPEX, OPEX, and LCOC of the CO2 Capture Process in Pre-Combustion Applications - Abstract

Aspen Plus v8.8 was used to simulate the pre-combustion CO2 capture process from a typical fuel gas stream at different power plant capacities ranging from 54.3 to 543 MW. Polyethylene glycol polydimethyl siloxane (PEGPDMS-1) was used as a physical solvent to capture CO2 in a countercurrent packed-bed absorber containing a structured packing (Mellapak 250Y). The process pressure was 51.4 bar and the solvent temperature was varied from 10 to 40 <sup>o</sup>C. The internal diameter of the absorber ranged from 1.9 to 7 m and the packing height from 13.9 to 45.5 m. The physico-chemical properties were obtained and modeled using the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) Equation-of-State (EOS).<p> Four process constraints were imposed in Aspen Plus: (1) no flooding in the absorber, (2) the absorber height to diameter ratio (H/D) is greater than or equal 6, (3) at least 90 mol% of the CO2 capture from the fuel gas stream, and (4) the CO2 stream destined to sequestration sites should contain less than 600 ppm water concentration and less than or equal 0.5 mol% of fuel gases (H2, CO, CH4). The plant lifetime was assumed to be 30 years with an annual discount rate of 10% and an annual maintenance cost of 4% of the total capital expenses.</p><p> Seven power plants with different capacities were used and for each plant, the corresponding CO2 capture process was simulated. The absorber flooding was checked using the generalized pressure drop correlation (GPDC) by Leva [1] and the capital expenditure (CAPEX), operating expenditure (OPEX), and levelized costs per ton of CO2 captured (LCOC) were calculated [2-5]. Normalized by the largest power plant capacity (543 MW) used in the simulation, the results indicated that the capital and operating expenditures increased, however, the LCOC decreased with increasing plant capacity. This behavior was due to the increased annual tonnage of the CO2 captured with plant capacity as shown in Figure 1. The calculated CAPEX, OPEX, LCOC and the tonnage of CO2 captured for the 543 MW power plant were about 52 MM$, 22 MM$/year, 7.46 $/ton and 4 MM ton/year.</p>

Ashkanani, Husain↗

What Makes You Hold on to That Old Car? Joint Insights From Machine Learning and Multinomial Logit on Vehicle-Level Transaction Decisions

What makes you hold on to that old car? While the vast majority of household vehicles are still powered by conventional internal combustion engines, the progress of adopting emerging vehicle technologies will critically depend on how soon the existing vehicles are transacted out of the household fleet. Leveraging a nationally representative longitudinal data set, the Panel Study of Income Dynamics, this study examines how household decisions to dispose of or replace a given vehicle are: 1) influenced by the vehicle’s attributes, 2) mediated by households’ concurrent socio-demographic and economic attributes, and 3) triggered by key life cycle events. Coupled with a newly developed machine learning interpretation tool, TreeExplainer, we demonstrate an innovative use of machine learning models to augment traditional logit modeling to both generate behavioral insights and improve model performance. We find the two gradient-boosting-based methods, CatBoost and LightGBM, are the best performing machine learning models for this problem. The multinomial logistic model can achieve similar performance levels after its model specification is informed by TreeExplainer. Both machine learning and multinomial logit models suggest that while older vehicles are more likely to be disposed of or replaced than newer ones, such probability decreases as the vehicles serve the family longer. Pickup trucks and sport utility vehicles are less likely to be disposed of or replaced than cars, and leased vehicles are more likely to be transacted than owned vehicles. We find that married families, families with higher education levels, homeowners, and older families tend to keep their vehicles longer. Life events such as childbirth, residential relocation, and change of household composition and income are found to increase vehicle disposal and/or replacement. We provide additional insights on the timing of vehicle replacement or disposal, in particular, the presence of children and childbirth events are more strongly associated with vehicle replacement among younger parents.

33 ADVANCED PROPULSION SYSTEMS↗

Scaling Turbulent Combustion Fields in Explosions

We considered the topic of explosions from spherical high-explosive (HE) charges. We studied how the turbulent combustion fields scale. On the basis of theories of dimensional analysis by Bridgman and similarity theories of Sedov and Barenblatt, we found that all fields scaled with the explosion length scale r0. This included the blast wave, the mean and root mean squared (RMS) profiles of thermodynamic variables, combustion variables, velocities, vorticity, and turbulent Reynolds stresses. This was a consequence of the formulation of the problem and our numerical method, which both satisfied the similarity conditions of Sedov. We performed numerical simulations of 1 g charges and 1 kg charges; the solutions were identical (within roundoff error) when plotted in scaled variables. We also explored scaling laws related to three-phase pyrotechnic explosions. We show that although the scaling formally broke down, the fireball still essentially scaled with the explosion length scale r0. However, the discrete Lagrange particles (DLP) (phase 2) and the heterogeneous continuum model (HCM) of the DLP wakes (phase 3) did not scale with r0, and mean and RMS profiles could differ by a factor of 10 in some regions. This was because the DLP particles and wakes introduced an additional scale that broke the similarity conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effects of turbulence-radiation coupling in pressurized oxy-combustion

Concerns over climate change have led to numerous efforts in developing low-carbon energy technologies. Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emission in power generation. Due to the strong impact of pressure on thermal radiation, heat transfer in POC differs significantly from the situation of conventional atmospheric pressure combustion. Thus thermal radiation in POC needs to be investigated to aid new combustor development. The present computational work is a step in this direction, initiating a systematic analysis of thermal radiation and heat transfer in a pilot-scale POC combustor, which has been developed at Washington University in St. Louis (WUSTL). In a POC process, pulverized coal is burned under elevated pressure and O2-CO2 environment. While most previous computational works on flame radiation focused on atmospheric pressure condition, this work considered a pressurized flame. Specifically, a 15-bar POC combustor of power 50 kW is modeled employing the Ansys FLUENT commercial platform, using both Reynolds-averaged Navier-Stokes (RANS) modeling and large-eddy simulation (LES). A recently published and validated global radiation model is used to predict the radiative property of the flue gas. The discrete ordinates (DO) radiation model is chosen to solve the radiative transport equation. Incident radiation on the walls of the combustor is identified and investigated. It is revealed that for this pilot-scale, pressurized combustor, thermal radiation exhibits similar patterns in the RANS and LES models. However, the magnitudes of radiation are different in both models, presumably because interactions between radiation and turbulence are embedded in the LES model but not in the RANS model. This difference thereby underlines the major goal of this research: investigating the impact of such turbulence-to-radiation coupling on thermal radiation in a pilot-scale POC setting. Most previous studies on turbulence-to-radiation interactions focused on bench-scale, atmospheric pressure flames. This work is the first effort to extend this study to a pilot-scale, pressurized flame.

Li, Lei↗

Targeted Chemical Looping Materials Discovery by an Inverse Design

Chemical looping with oxygen uncoupling (CLOU) materials is actively sought for combustion of carbonaceous materials to achieve complete conversion and capture of carbon dioxide. These materials may play a vital role in reducing atmospheric carbon via negative carbon output. However, there is no one‐size‐fits‐all approach as different operating conditions and feedstocks may require different CLOU materials. As a result, the exploration and discovery of high‐performance CLOU materials can be a slow process. To address this challenge, a high‐throughput inverse machine learning workflow that identifies optimum materials from perovskite oxides for a given set of targets is developed—temperature and Gibbs free energy of oxygen formation. The model is trained on high‐throughput density functional theory calculations of CLOU materials and inverts the materials design process using a genetic algorithm to produce realistic substituted SrFeO 3‐δ compositions as output. Using the inverse model, it is able to identify several interesting new families of CLOU materials: Sr 1‐ x A x Fe 1‐ y B y O 3‐δ (e.g., A = Ca or K; B = Mg, Bi, Mn, Ni, Co, Cu, or Zn). These materials have shown promising properties, and some of them even outperform the benchmark material in terms of oxygen release kinetics under relevant CLOU operating conditions.

36 MATERIALS SCIENCE↗

Open‐Air Combustion Synthesis with Rapid Plasma Processing of Large‐Area Transparent Conducting Oxides

A vacuum-free, high-throughput synthesis of indium tin oxide (ITO) via Combustion Oxidation with Rapid Plasma Processing (CORP) utilizes a solution-based exothermic combustion reaction to generate the oxide with tunable control of either amorphous or crystalline phases. A subsequent open-air, forming gas plasma treatment is used to introduce oxygen vacancies and promote crystallization. Here, the evolution of the oxide structure is elucidated by extended X-ray absorption spectroscopy fine structure analysis. Using CORP, fabrication of 300 cm 2 of ITO possessing a champion sheet resistance of 38 Ω sq. −1 , visible transmission of 89%, conductivity stability for over 250 days, roughness < 2nm, and Haacke figure of merit (%T 550nm 10 /R s ) of 0.012 Ω −1 is achieved. Cost modeling of CORP demonstrates up to a 67% reduction in price for TCOs using fully continuous, in-line unit operations compared with vacuum sputtering. The work shows a path toward a low-cost, vacuum-free manufacturing method for TCOs at commercial scales.

42 ENGINEERING↗