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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Gen 2.0 Mixer/Ejector Nozzle Test at LSAF June 1995 to July 1996

Testing of the HSCT Generation 2.0 nozzle model hardware was conducted at the Boeing Low Speed Aeroacoustic Facility, LSAF. Concurrent measurements of noise and thrust were made at critical takeoff design conditions for a variety of mixer/ejector model hardware. Design variables such as suppressor area ratio, mixer area ratio, liner type and thickness, ejector length, lobe penetration, and mixer chute shape were tested. Parallel testing was conducted at G.E.'s Cell 41 acoustic free jet facility to augment the LSAF test. The results from the Gen 2.0 testing are being used to help shape the current nozzle baseline configuration and guide the efforts in the upcoming Generation 2.5 and 3.0 nozzle tests. The Gen 2.0 results have been included in the total airplane system studies conducted at MDC and Boeing to provide updated noise and thrust performance estimates.

Arney, L. D.↗
NASA NTRSDate not supplied

Thermal Model of Ice Growth in Vacuum for Lunar Water Production

To support NASA’s goal of sustained lunar presence, the use of in-situ resource utilization will reduce launch weight and frequency of resupply missions. With the discovery of water in the permanently shadowed regions of the moon, the prospect of harvesting water has generated particular interest. A more fundamental understanding of water storage and capture in lunar conditions is necessary for effective and efficient water capture and transport. The present study derives a thermal model for ice height, heat flux, chamber pressure, and mass flow rate in sub-atmospheric pressures below the triple point. The thermal model compares ice layer height against the results of the experiment at two pressures (300 Pa and 500 Pa) and temperatures from -18°C to -3°C. The thermal model predicts the trends seen experimentally with an overall root mean square error of 0.1135 cm and coefficient of efficiency of 0.994, indicating the model predicts the experimental results. The thermal model can be utilized to examine the impacts of varying pressure, temperature, and cold plate area to determine the most effective ice growth conditions for efficient capture of water on the lunar surface. The thermal model will provide a useful tool for NASA in the design of the lunar ice tanker and shows the promise of effective capture water on the lunar surface.

Ice growth↗
NASA NTRSDate not supplied

Thermal Model of Ice Growth in Vacuum for Lunar Water Production

To support NASA’s goal of sustained lunar presence, the use of in-situ resource utilization will reduce launch weight and frequency of resupply missions. With the discovery of water in the permanently shadowed regions of the moon, the prospect of harvesting water has generated particular interest. A more fundamental understanding of water storage and capture in lunar conditions is necessary for effective and efficient water capture and transport. The present study derives a thermal model for ice height, heat flux, chamber pressure, and mass flow rate in sub-atmospheric pressures below the triple point. The thermal model compares ice layer height against the results of the experiment at two pressures (300 Pa and 500 Pa) and temperatures from -18°C to -3°C. The thermal model predicts the trends seen experimentally with an overall root mean square error of 0.1135 cm and coefficient of efficiency of 0.994, indicating the model predicts the experimental results. The thermal model can be utilized to examine the impacts of varying pressure, temperature, and cold plate area to determine the most effective ice growth conditions for efficient capture of water on the lunar surface. The thermal model will provide a useful tool for NASA in the design of the lunar ice tanker and shows the promise of effective capture water on the lunar surface.

Ice growth↗
DOE OSTI2025

Surrogate-driven Variance-based Sensitivity Analysis of Thermal Storage Tanks in Integrated Energy Systems

Sensitivity analysis and uncertainty quantification are essential steps for enhancing the accuracy of computational models by identifying and mitigating uncertainties. This study focuses on these steps for the Thermal Energy Delivery System at Idaho National Laboratory, specifically targeting the thermocline tank. Using a Modelica/Dymola simulation model, the study perturbed various design parameters and boundary conditions, including shape factor, porosity, outlet temperature, inlet mass flow rate, and system pressure, to predict and quantify uncertainty in the tank’s ax- ial temperature. A dataset of over 1,000 simulations was generated, and surrogate models were developed using the pyMAISE (Michigan Artificial Intelligence Standard Environment) library, which is an Automatic Machine Learning library for nuclear engineering applications. The optimal model, a feedforward neural network with two hidden layers, achieved an R2 score above 0.99 and a mean absolute error below 1 Kelvin. Sensitivity analyses using Sobol indices and Fourier amplitude sensitivity testing methods on this surrogate model revealed that the inlet mass flow rate at initial timestamps and porosity significantly impacts predicted temperatures across all sensors and time steps.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2015

A High Performance Computing Approach to Tree Cover Delineation in 1-m NAIP Imagery Using a Probabilistic Learning Framework

Tree cover delineation is a useful instrument in deriving Above Ground Biomass (AGB) density estimates from Very High Resolution (VHR) airborne imagery data. Numerous algorithms have been designed to address this problem, but most of them do not scale to these datasets, which are of the order of terabytes. In this paper, we present a semi-automated probabilistic framework for the segmentation and classification of 1-m National Agriculture Imagery Program (NAIP) for tree-cover delineation for the whole of Continental United States, using a High Performance Computing Architecture. Classification is performed using a multi-layer Feedforward Backpropagation Neural Network and segmentation is performed using a Statistical Region Merging algorithm. The results from the classification and segmentation algorithms are then consolidated into a structured prediction framework using a discriminative undirected probabilistic graphical model based on Conditional Random Field, which helps in capturing the higher order contextual dependencies between neighboring pixels. Once the final probability maps are generated, the framework is updated and re-trained by relabeling misclassified image patches. This leads to a significant improvement in the true positive rates and reduction in false positive rates. The tree cover maps were generated for the whole state of California, spanning a total of 11,095 NAIP tiles covering a total geographical area of 163,696 sq. miles. The framework produced true positive rates of around 88% for fragmented forests and 74% for urban tree cover areas, with false positive rates lower than 2% for both landscapes. Comparative studies with the National Land Cover Data (NLCD) algorithm and the LiDAR canopy height model (CHM) showed the effectiveness of our framework for generating accurate high-resolution tree-cover maps.

Segments↗
DOE OSTI2026

Generative Electrolyte Solvent and Formulation Discovery

Molecular mixtures and/or formulations are of great importance in fields ranging from materials science to pharmaceuticals to chemistry. In batteries, electrolytes are complex molecular mixtures consisting of multiple salts and solvents and additives at different concentrations that dictate battery capacity, safety, and cycle life, among others. Unfortunately, due to the complex composition and infinite design space as well as the conflicting property requirements, electrolyte design is the rate-determining step in the design of next generation battery chemistries. In this work, we develop a transformer-based generative AI model − ElectrolyteGPT − capable of generating solvents and electrolyte formulations to satisfy a wide range of desired property requirements. First, we curate an electrolyte-relevant database and develop a new line notation for formulations. Then, we show that ElectrolyteGPT can generate solvents and formulations conditioned on a wide range of important electrolyte properties such as ionic conductivity, oxidative stability, Coulombic efficiency, viscosity, and more. Finally, we experimentally synthesize the generated solvents and fabricate the electrolyte formulations and show that they can meet the desired property requirements and enable longterm cycling in energy-dense anode-free lithium metal batteries. Our work showcases the ability of generative models to address challenges in molecular mixture design for next generation batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Whirl Flutter and the Development of the NASA X-57 Maxwell

The X-57 Maxwell is NASA’s all-electric demonstration vehicle. The primary demonstration objective of this flight test program is to show a factor of five reduction in energy consumption. The vehicle includes two large wing tip propellers designed to provide propul- sion at cruise conditions and twelve leading edge propellers designed to operate at high lift conditions. The first configuration of the vehicle that will be flight tested has the large wing tip propellers relocated to an inboard wing station. A simplified structural dynamic model of the propulsion system has been generated and coupled with a beam model of the vehicle. Whirl flutter analyses have been performed, examining the stability of the isolated propulsion system and coupled to the beam model of the vehicle. Trimmed flight scenarios for the vehicle include straight and level flight and zero power windmilling conditions. The whirl flutter analyses for this configuration indicate that the configuration will be free of whirl flutter within the required flight envelope.

Heeg, Jennifer↗
NASA NTRSDate not supplied

Watching Without Seeing a Tool to Surveil Astronaut Health Outcomes While Maintaining Astronaut Medical Privacy

BACKGROUND The Privacy Act of 1974 regulates the use a nd disclosure of personally identifiable information by US Federal agencies. The Act applies to biographical, financial, a nd other identity-linked information, a s well a s personal health information (PHI). As such, the use of astronaut PHI is limited to authorized personnel for preapproved uses, with data reporting often limited to aggregated information about groups. These limitations on the use a nd reporting of astronaut PHI complicates surveillance efforts, wherein epidemiologists a t the National Aeronautics and Space Administration (NASA)monitor the incidence of targeted health conditions in the astronaut population, or to discover emerging trends of aging and disease. Stratification on one or more covariates –particularly time-period, sex, a nd mission participation –can lead to extremely small datasets such that the reporting of results is potentially attributable to individuals. An additional challenge is the small size of the astronaut population, both in terms of numbers of individuals a s well a s in terms of density of exposure time. Such small datasets yield volatile rate estimates that are difficult to interpret. To a id the epidemiological surveillance efforts, a surveillance tool is required that can (a) satisfy the need for rapid computation of condition-specific incidence and mortality rates; (b) improve the statistical estimates of these estimated rates; and (c) maintain astronaut privacy. Here we describe a nd demonstrate such a tool. METHODS We devised a system that models incidence a nd mortality rates rather than calculating them directly. This ha s the advantage of using all the available data to derive the estimates, lea ding to rates that a re not attributable to any one individual, a nd a re a s numerically stable a s they can be given the extremely limited data. The system models disease endpoints using a Poisson regression model with exposure density (measured in person-years) a s a n offset term. By doing so the model is estimating event counts per person-year, equivalent to modeling the rates directly. It uses a standard (pre-specified)set of covariates; the system does not engage in “model-building” as model parsimony is not the goa l. Instead, it is explicitly recognized that if a covariate is not statistically significant a nd not a confounder then it will likely have very little effect on the estimate of the incidence a nd mortality rates. Users are able to specify the disease endpoint of interest and the covariates over which they would like to stratify. The system then uses the resulting model to compute the estimated rates for the user-chosen configuration of variables as visualizes those either over an age range within a specified time-period, or over time for astronauts with a specified age range. RESULTS The first iteration of the tool computes incidence a nd mortality rates for cardiovascular conditions and cancers. Code ha s been developed to retrieve the appropriate data from the IMPALA analysis platform, compute the models for incidence a nd mortality, a nd then use those models to generate the corresponding rate curves. A companion graphical user interface allows the user to specify the curves and visualize the results. CONCLUSIONS It is important to note that the rapid surveillance tool described here is neither meant to be a definitive assessment of the incidence or mortality of any particular disease or condition in the astronaut population, nor is it meant to be used for research purposes. Rather, it is meant as an early indicator that in-depth investigation may be warranted. By automating a repetitive process and leveraging carefully curated astronaut health outcomes, the tool makes possible a rapid “first look” into known areas of concern, and, if used judiciously, may surface new areas of concern for long-term astronaut health. This work is supported in part by the Translational Research Institute for Space Health (TRISH) through NASA Cooperative Agreement NNX16AO69A.

R J Reynolds↗
NASA NTRSDate not supplied

The Additive Manufacturing Moment Measure (AM3) Approach to Predictions of Solid Cooling Rate and Time Above Melt

Qualification of a laser powder bed fusion additive manufacturing (LPBF-AM) process requires knowledge of the multi-scale material physics during the process, per part. As the LPBF-AM build occurs, each moment is influenced by the process history. Knowledge of the build sequence can be used to generate a discretized time-space-condition point field that when coupled with a nearest neighbors’ calculation results in a generalized and fully parallel process model computation. This GPU accelerated approach was developed for part-scale analysis of build files along with in-situ process monitoring sensor data and is termed the “Additive Manufacturing Moment Measure” (AM3). The AM3 approach will be presented and then used to evaluate an AM Bench relevant geometry with synchronized in-situ process data, ex-situ nondestructive evaluation, and optical microscopy observations. These comparisons permit a better understanding of how the process actions can affect the LPBF-AM build quality and the signals generated during in-situ process monitoring.

Additive Manufacturing↗
NASA NTRS1984

Comparison of scaled model data to full size energy efficient engine test results

Acoustic tests of a subscale fan and a subscale mixer nozzle were conducted in anechoic chambers over a variety of operating conditions. The subscale fan test was an investigation into the effects of vane/blade ratio and spacing on fan generated noise. A turbulence control structure (TCS) was used to simulate the 'turbulence-free' condition in flight. The subscale mixer nozzle test investigated the acoustic properties of several different forced mixer designs. A tertiary flow was utilized on the mixer model to simulate the forward velocity effects on the jet. The results were scaled up to full size conditions and compared with measured engine data. The comparisons showed good agreement between the component scaled model results and the full scale engine data.

Lavin, S. P.↗
DOE OSTI2025

Failure Analysis–Informed Risk Assessment Framework for Geological Carbon Storage Using Numerical Simulation and Machine Learning

Geological carbon storage (GCS) is recognized as a critical technology for achieving large-scale reductions in anthropogenic carbon dioxide (CO 2 ) emissions. Ensuring long-term containment and safety requires robust risk assessment frameworks that account for geological uncertainty and identify potential failure scenarios. Among various indicators, the area of review (AoR) serves as a key metric for evaluating storage performance, regulatory compliance, and monitoring design, as it delineates the spatial extent impacted by pressure buildup and plume migration. However, conventional AoR-based risk assessments typically perturb parameters within narrow uncertainty bounds, potentially overlooking rare but high-impact events arising from extreme geological conditions. In this study, we present a failure analysis–informed risk assessment framework for large-scale GCS projects to improve site prescreening and monitoring design. A suite of 300 numerical simulations was generated using stochastic geological models that vary five key parameters: net-to-gross ratio, anisotropy azimuth, porosity multiplier, permeability multiplier, and vertical-to-horizontal permeability ratio. Among these, 200 realizations represent normal geological uncertainty, while 100 additional cases explore extreme yet plausible conditions for failure-case analysis. The AoR was simulated and computed from pressure and CO 2 saturation fields, where the baseline AoR boundary, representing the extent predicted under typical geological uncertainty, was defined as the union of 200 normal-range simulations, and failure was identified when extreme-range cases exceeded this baseline. Results show that incorporating broader parameter uncertainty produces significantly larger AoR extents, underscoring the potential underestimation of risk under conventional uncertainty ranges. Furthermore, spatial probability maps derived from failure-induced AoR exceedance identify regions requiring enhanced monitoring attention. Various machine learning (ML)–based classifiers were developed to predict failure occurrence from geological parameters, with the random forest model achieving the highest performance (F1-score of 0.986). Consistent findings from correlation coefficient, feature importance, and Sobol sensitivity analyses reveal that low net-to-gross ratios and permeability multipliers are the dominant risk drivers, reflecting reduced reservoir connectivity and limited pressure dissipation. Altogether, these results provide a novel framework for risk-informed site prescreening and monitoring design that explicitly considers rare but high-impact geological scenarios in GCS projects.

25 ENERGY STORAGE↗
NASA NTRS2008

The Integrated Medical Model: Statistical Forecasting of Risks to Crew Health and Mission Success

The Integrated Medical Model (IMM) helps capture and use organizational knowledge across the space medicine, training, operations, engineering, and research domains. The IMM uses this domain knowledge in the context of a mission and crew profile to forecast crew health and mission success risks. The IMM is most helpful in comparing the risk of two or more mission profiles, not as a tool for predicting absolute risk. The process of building the IMM adheres to Probability Risk Assessment (PRA) techniques described in NASA Procedural Requirement (NPR) 8705.5, and uses current evidence-based information to establish a defensible position for making decisions that help ensure crew health and mission success. The IMM quantitatively describes the following input parameters: 1) medical conditions and likelihood, 2) mission duration, 3) vehicle environment, 4) crew attributes (e.g. age, sex), 5) crew activities (e.g. EVA's, Lunar excursions), 6) diagnosis and treatment protocols (e.g. medical equipment, consumables pharmaceuticals), and 7) Crew Medical Officer (CMO) training effectiveness. It is worth reiterating that the IMM uses the data sets above as inputs. Many other risk management efforts stop at determining only likelihood. The IMM is unique in that it models not only likelihood, but risk mitigations, as well as subsequent clinical outcomes based on those mitigations. Once the mathematical relationships among the above parameters are established, the IMM uses a Monte Carlo simulation technique (a random sampling of the inputs as described by their statistical distribution) to determine the probable outcomes. Because the IMM is a stochastic model (i.e. the input parameters are represented by various statistical distributions depending on the data type), when the mission is simulated 10-50,000 times with a given set of medical capabilities (risk mitigations), a prediction of the most probable outcomes can be generated. For each mission, the IMM tracks which conditions occurred and decrements the pharmaceuticals and supplies required to diagnose and treat these medical conditions. If supplies are depleted, then the medical condition goes untreated, and crew and mission risk increase. The IMM currently models approximately 30 medical conditions. By the end of FY2008, the IMM will be modeling over 100 medical conditions, approximately 60 of which have been recorded to have occurred during short and long space missions.

Fitts, M. A.↗
NASA NTRS1978

Aircraft Engine Sump Fire Mitigation, Phase 2

The effect of changes in the input parameters (air leakage flow rate and temperature and lubricating oil inlet flow rate and temperature) over a specified range on the flammability conditions within an aircraft engine bearing sump was investigated. An analytical study was performed to determine the effect of various parameters on the generation rate of oil vapor from oil droplets in a hot air stream flowing in a cylindrical tube. The ignition of the vapor-air mixture by an ignition source was considered. The experimental investigation demonstrated that fires would be ignited by a spark ignitor over the full range of air and oil flow rates and air temperatures evaluated. However, no fires could be ignited when the oil inlet temperature was maintained below 41.7 K (290 F). The severity of the fires ignited were found to be directly proportional to the hot air flow rate. Reasonably good correlation was found between the mixture temperature in the sump at the ignitor location and the flammability limits as defined by flammability theory; thus a fairly reliable experimental method of determining flammable conditions within a sump was demonstrated. The computerized mathematical model shows that oil droplet size and air temperature have the greatest influence on the generation rate of oil vapor.

Rosenlieb, J. W.↗
DOE OSTI2025

Reviews and syntheses: Variable inundation across Earth's terrestrial ecosystems

Abstract. The structure, function, and dynamics of Earth's terrestrial ecosystems are profoundly influenced by how often (frequency) and how long (duration) they are inundated with water. A diverse array of natural and human-engineered systems experience temporally variable inundation whereby they fluctuate between inundated and non-inundated states. Variable inundation spans extreme events to predictable sub-daily cycles. Variably inundated ecosystems (VIEs) include hillslopes, non-perennial streams, wetlands, floodplains, temporary ponds, tidal systems, storm-impacted coastal zones, and human-engineered systems. VIEs are diverse in terms of inundation regimes, water chemistry and flow velocity, soil and sediment properties, vegetation, and many other properties. The spatial and temporal scales of variable inundation are vast, ranging from sub-meter to whole landscapes and from sub-hourly to multi-decadal. The broad range of system types and scales makes it challenging to predict the hydrology, biogeochemistry, ecology, and physical evolution of VIEs. Despite all experiencing the loss and gain of an overlying water column, VIEs are rarely considered together in conceptual, theoretical, modeling, or measurement frameworks and approaches. Studying VIEs together has the potential to generate mechanistic understanding that is transferable across a much broader range of environmental conditions, relative to knowledge generated by studying any one VIE type. We postulate that enhanced transferability will be important for predicting changes in VIE function in response to global change. Here we aim to catalyze cross-VIE science that studies drivers and impacts of variable inundation across Earth's VIEs. To this end, we complement expert mini-reviews of eight major VIE systems with overviews of VIE-relevant methods and challenges associated with scale. We conclude with perspectives on how cross-VIE science can derive transferable understanding via unifying conceptual models in which the impacts of variable inundation are studied across multi-dimensional environmental space.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Geospatial Diffusion for Land Cover Imperviousness Change Forecasting

Land-use and land-cover (LULC) has a significant effect on several Earth system processes. For example, impervious surfaces reduce infiltration and speed water flow, impacting regional hydrology and flood risk. While Earth System models have improved forecasting hydrologic and atmospheric processes at higher resolutions, the ability to forecast LULC change has lagged behind. In this paper, we propose a new paradigm exploiting Generative AI (GenAI) for land cover change forecasting by framing it as a data synthesis problem conditioned on historical and auxiliary data-sources. To demonstrate the feasibility of our methodology, we perform experiments where a diffusion model is trained for decadal forecasting of imperviousness change across the entire United States. We find that our model yields MAE lower than a no-change baseline for resolutions ≥ 0.7 X 0.7km2 on average, demonstrating its ability to capture and project accurate spatiotemporal patterns. Finally, we discuss future research to incorporate Earth's physical properties and enabling scenario simulations via driver variables.

Varshney, Debvrat [ORNL] (ORCID:0000000188981736)↗
DOE OSTI2025

Robust measurement of microbial reduction of graphene oxide nanoparticles using image analysis

ABSTRACT Shewanella oneidensis ( S. oneidensis ) has the capacity to reduce electron acceptors within a medium and is thus used frequently in microbial fuel generation, pollutant breakdown, and nanoparticle fabrication. Microbial fuel setups, however, often require costly or labor-intensive components, thus making optimization of their performance onerous. For rapid optimization of setup conditions, a model reduction assay can be employed to allow simultaneous, large-scale experiments at lower cost and effort. Since S. oneidensis uses different extracellular electron transfer pathways depending on the electron acceptor, it is essential to use a reduction assay that mirrors the pathways employed in the microbial fuel system. For microbial fuel setups that use nanoparticles to stimulate electron transfer, reduction of graphene oxide provides a more accurate model than other commonly used assays as it is a bulk material that forms flocculates in solutions with a large ionic component. However, graphene oxide flocculates can interfere with traditional absorbance-based measurement techniques. This study introduces a novel image analysis method for quantifying graphene oxide reduction, showing improved performance and statistical accuracy over traditional methods. A comparative analysis shows that the image analysis method produces smaller errors between replicates and reveals more statistically significant differences between samples than traditional plate reader measurements under conditions causing graphene oxide flocculation. Image analysis can also detect reduction activity at earlier time points due to its use of larger solution volumes, enhancing color detection. These improvements in accuracy make image analysis a promising method for optimizing microbial fuel cells that use nanoparticles or bulk substrates. IMPORTANCE Shewanella oneidensis ( S. oneidensis ) is widely used in reduction processes such as microbial fuel generation due to its capacity to reduce electron acceptors. Often, these setups are labor-intensive to operate and require days to produce results, so use of a model assay would reduce the time and expenses needed for optimization. Our research developed a novel digital analysis method for analysis of graphene oxide flocculates that may be utilized as a model assay for reduction platforms featuring nanoparticles. Use of this model reduction assay will enable rapid optimization and drive improvements in the microbial fuel generation sector.

Bennett, Danielle T. (ORCID:0009000188748827)↗
DOE OSTI2026

Machine learning-enhanced hybrid modeling approach for better identification of a building thermal network model and improved prediction

The gray-box modeling approach, which uses a semi-physical thermal network model, has been widely used in building prediction applications, such as model predictive control (MPC). However, unmeasured disturbances, such as occupants, lighting, and in/exfiltration loads, make it challenging to apply this approach to practical buildings. In this word, we propose a hybrid modeling approach that integrates the gray-box model with a model for unmeasured disturbance. After reviewing several system identification approaches, we systematically designed the unmeasured disturbance model with a model selection process based on statistical tests to make it robust. We generated data based on the building model calibrated by real operational data and then trained the hybrid model for two different weather conditions. The hybrid model approach demonstrates an RMSE reduction of approximately 0.2–0.9 °C and 0.3–2 °C on 1-day ahead temperature prediction compared to the Conventional approach for mild (Berkeley, CA) and cold (Chicago, IL) climates, respectively. In addition, this approach was applied to experimental data obtained from the laboratory building to be used for the MPC application, showing superior prediction performances.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Finite-element-based simulations of electrodes for CO 2 cascade reduction reactions

The multielectron reduction of CO 2 to liquid fuels could be a path to scalable energy storage, but reaching this goal requires major advances in catalysis and systems engineering. Cascade catalysis, which couples sequential reactions without isolating intermediates, has emerged as a promising route to enhance selectivity and efficiency in CO 2 reduction (CO 2 R). In this review, we examine how finite-element-based simulations of continuum model [finite element method (FEM)] approaches are being used to analyze and guide CO 2 R cascade systems. We first outline the fundamentals of cascade catalysis and recent advances in catalytic materials (metallic, molecular, and hybrid architectures). We then focus on FEM developments at the electrode and device scales, emphasizing how these models capture transport phenomena, local microenvironments, and geometry-dependent effects. To clarify design principles, we present case studies of cascade electrodes organized in systems without and with integrated semiconductors. We further emphasize the integration of FEM with multiscale frameworks (density functional theory, molecular dynamics, kinetic Monte Carlo) and its role in bridging atomic-level insights with device-level performance. Finally, we identify current limitations and future prospects, including improved boundary conditions, coupling with operando experiments, and machine learning-accelerated model development. Together, these insights provide design principles for next-generation CO 2 R cascade systems for efficient solar fuel production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗