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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Fluid-Structure Interaction Simulations Of Supersonic Parachute Inflation: Model Sensitivities

Fluid-structure interaction simulations have the potential to accelerate the certification process of parachute systems for interplanetary robotic exploration missions while helping to mitigate risks by covering a wider range of scenarios than can be flight tested. The Launch, Ascent, and Vehicle Aerodynamics team is working toward actualizing this potential by further developing the capability to perform such fluid-structure interaction simulations and validating it with the best supersonic parachute flight test data available. We perform several simulations of the Advanced Supersonic Parachute Inflation Research Experiments’ third flight test (SR03) where we independently vary several parameters to determine their sensitivity on the predicted drag. We investigate sensitivity of the drag to the added mass of the confluence fitting, to the effective porosity, to how the gore seams are modeled, to viscous effects, and to deceleration. Modeling the added mass of the confluence fitting has virtually no impact on the drag, but is worthwhile to include to better match the overall system’s mass, which is important for the simulations with deceleration. Parachute drag is only marginally sensitive to porosity and viscous effects. Maximum parachute drag is most sensitive to how the gore seams are modeled, causing a nearly 20% drop when they are modeled as stiffer radials, and to deceleration, causing an additional 10% reduction. Results show improved agreement with flight test measurements when the FSI model is closest to the as-built configuration and physics experienced in flight: with the confluence fitting, viscous effects, the gore seams modeled as stiff radials, and including deceleration.

ESM↗
NASA NTRSDate not supplied

Sensitivity Analysis of Heat Rejection and Propellant Management Technologies for Nuclear Thermal Propulsion Architectures

Cryogenic fluid management (CFM) technologies are very important for enabling a wider range of missions to utilize space nuclear propulsion (SNP) concepts such as nuclear thermal propulsion (NTP). Technologies for thermal and cryogenic propellant management allow for vehicles to take full advantage of the higher efficiency NTP systems for longer duration human interplanetary and deep space robotic missions. Currently, the CFM Portfolio Project at NASA’s Marshall Space Flight Center (MSFC) is developing thermal and propellant management technologies needed for SNP. When developing these technologies, it is important to understand the sensitivities of key performance parameters (KPPs) at the system and overall mission level due to the ways the technologies interact with each other, other subsystems, and influence the overall vehicle. The Advanced Concepts Office (ACO) at NASA-MSFC was tasked with building an integrated system model of a human Mars NTP mission to evaluate the impacts and sensitivities of CFM technologies on the overall vehicle and mission. This paper will cover the buildup of the model and highlight major sensitivities and breakpoints encountered, as well as future work in improving the existing models and sensitivities being evaluated.

Robert J Hetterich↗
NASA NTRS2024

Global Sensitivity Analysis of Simulated Remote Sensing Polarimetric Observations Over Snow

This study presents a detailed theoretical assessment of the information content of passive polarimetric observations over snow scenes, using a global sensitivity analysis (GSA) method. Conventional sensitivity studies focus on varying a single parameter while keeping all other parameters fixed. In contrast, the GSA correctly addresses the covariance of state parameters across their entire parameter space, hence favoring a more correct interpretation of inversion algorithms and the optimal design of their state vectors. The forward simulations exploit a vector radiative transfer model to obtain the Stokes vector emerging at the top of the atmosphere for different solar zenith angles, when the bottom boundary consists of a vertically resolved snowpack of non-spherical grains. The presence of light-absorbing particulates (LAPs), either embedded in the snow or aloft in the atmosphere above in the form of aerosols, is also considered. The results are presented for a set of wavelengths spanning the visible (VIS), near-infrared (NIR), and shortwave infrared (SWIR) region of the spectrum. The GSA correctly captures the expected, high sensitivity of the reflectance to LAPs in the VIS–NIR and to grain size at different depths in the snowpack in the NIR–SWIR. With adequate viewing geometries, mono-angle measurements of total reflectance in the VIS–SWIR (akin to those of the Moderate Resolution Imaging Spectroradiometer, MODIS) resolve grain size in the top layer of the snowpack sufficiently well. The addition of multi-angle polarimetric observations in the VIS–NIR provides information on grain shape and microscale roughness. The simultaneous sensitivity in the VIS–NIR to both aerosols and snow-embedded impurities can be disentangled by extending the spectral range to the SWIR, which contains information on aerosol optical depth while remaining essentially unaffected when the same particulates are mixed with the snow. Multi-angle polarimetric observations can therefore (i) effectively partition LAPs between the atmosphere and the surface, which represents a notorious challenge for snow remote sensing based on measurements of total reflectance only and (ii) lead to better estimates of grain shape and roughness and, in turn, the asymmetry parameter, which is critical for the determination of albedo. The retrieval uncertainties are minimized when the degree of linear polarization is used in place of the polarized reflectance. The Sobol indices, which are the main metric for the GSA, were used to select the state parameters in retrievals performed on data simulated for multiple instrument configurations. Improvements in retrieval quality with the addition of measurements of polarization, multi-angle views, and different spectral channels reflect the information content, identified by the Sobol indices, relative to each configuration. The results encourage the development of new remote sensing algorithms that fully leverage multi-angle and polarimetric capabilities of modern remote sensors. They can also aid flight planning activities, since the optimal exploitation of the information content of multi-angle measurements depends on the viewing geometry. The better characterization of surface and atmospheric parameters in snow-covered regions advances research opportunities for scientists of the cryosphere and ultimately benefits albedo estimates in climate models.

remote sensing↗
DOE OSTI2024

Efficient sensitivity analysis of the thermal profile in powder bed fusion of metals using hypercomplex automatic differentiation finite element method

Rapid cyclic temperature fluctuation occurring in powder bed fusion of metals using a laser beam (PBF-LB/M) influences the formation of flaws in printed parts. Consequently, there is a pressing need to enhance the quality of printed parts by developing innovative methodologies that can predict thermal histories and help uncover the intricate relationships between process parameters and thermal profiles. Sensitivity Analysis (SA) emerges as an essential tool for this, offering the potential for process optimization and enhanced quality control. Nonetheless, conventional SA methodologies often incur in excessive computational costs and potential numerical approximation errors. Here, to address this technical challenge, we present a novel method for SA that integrates the HYPercomplex-based Automatic Differentiation (HYPAD) technique with transient thermal simulations conducted via the finite element method (FEM). Leveraging this methodology, we efficiently and accurately perform SA for PBF-LB/M processes in a post-processing step. Compared to traditional methods like Finite Differences (FD), HYPAD-FEM required 96 % less computational time for obtaining sensitivities for 22 process parameters, under a comparative study conducted within the context of the 2018–02 AM benchmark of the National Institute of Standards and Technology. In summary, HYPAD-FEM offers superior efficiency and accuracy in SA over conventional methods, delivering the best sensitivity of a model without the need for step-size selection and problem or parameter-based implementations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effects of grain size and porosity on cladding failure in high-burnup UO 2 : A sensitivity and uncertainty study

Isotopic taggants are being studied to aid in the provenance assessment of nuclear materials. However, these taggants must be selected such that they do not adversely affect fuel performance during normal operation or accident scenarios. Taggants are known to affect the fuel’s grain size and porosity. In the work described in this paper, the BISON fuel performance code was used to assess the potential effects of taggants (i.e., grain size and porosity) on fuel rod behavior and cladding failure during a high-burnup, large-break loss-of-coolant accident. Here, 281 individual fuel rods from the same reactor core were modeled for a sensitivity study, a parametric study, and uncertainty quantification. The cladding failure predictions often exhibited stochastic behavior. After additional study, it was found that the cladding failure model is highly sensitive to residual error inherent to numerical approximation solvers. Some strategies to mitigate this sensitivity are discussed. The study found no relationship between known taggant effects and cladding failure status. However, taggants were found to affect the time and location of failure in certain rods. In conclusion, future work to continue investigating and validating these findings is briefly discussed.

Doped UO 2↗
DOE OSTI2024

Adaptive Power Flow Approximations With Second-Order Sensitivity Insights

The power flow equations are fundamental to power system planning, analysis, and control. However, the inherent non-linearity and non-convexity of these equations present formidable obstacles in problem-solving processes. To mitigate these challenges, recent research has proposed adaptive power flow linearizations that aim to achieve accuracy over wide operating ranges. The accuracy of these approximations inherently depends on the curvature of the power flow equations within these ranges, which necessitates considering second-order sensitivities. In this paper, we leverage second-order sensitivities to both analyze and improve power flow approximations. We evaluate the curvature across broad operational ranges and subsequently utilize this information to inform the computation of various sample-based power flow approximation techniques. Additionally, we leverage second-order sensitivities to guide the development of rational approximations that yield linear constraints in optimization problems. In conclusion, this approach is extended to enhance accuracy beyond the limitations of linear functions across varied operational scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Prompt Phrase Ordering Using Large Language Models in HPC: Evaluating Prompt Sensitivity

Large language models (LLMs) have demonstrated effective performance in domain-specific tasks, often requiring a well-designed prompt to guide their responses. However, optimizing the right prompt is challenging due to prompt sensitivity—the phenomenon where small changes in the prompt can lead to significant variations in performance. In this study, we evaluate prompt performance by examining all permutations of independent phrases to investigate prompt sensitivity and robustness. We used two datasets: the GSM8k dataset, which assesses mathematical reasoning, and a custom template prompt for summarizing database metadata. Our goal was to evaluate the performance across all permutations of a sequence of prompt phrases. The study was conducted using the llama3-instruct- 7B model hosted on Ollama, with computations parallelized in a high-performance computing environment. By comparing the average index of phrases in the best and worst-performing prompts, we found that the order of independent phrases within a prompt significantly impacts LLM performance. Additionally, we used Hamming distance to assess changes between phrase orderings, concluding that prompt modifications can dramatically affect scores, often by almost random chance. These findings support existing research on prompt sensitivity. We discuss the challenges of prompt optimization, noting that altering phrases in a successful prompt does not always result in another successful prompt.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2011

Phase-Sensitive Coherence and the Classical-Quantum Boundary in Ghost Imaging

The theory of partial coherence has a long and storied history in classical statistical optics. the vast majority of this work addresses fields that are statistically stationary in time, hence their complex envelopes only have phase-insensitive correlations. The quantum optics of squeezed-state generation, however, depends on nonlinear interactions producing baseband field operators with phase-insensitive and phase-sensitive correlations. Utilizing quantum light to enhance imaging has been a topic of considerable current interest, much of it involving biphotons, i.e., streams of entangled-photon pairs. Biphotons have been employed for quantum versions of optical coherence tomography, ghost imaging, holography, and lithography. However, their seemingly quantum features have been mimicked with classical-sate light, questioning wherein lies the classical-quantum boundary. We have shown, for the case of Gaussian-state light, that this boundary is intimately connected to the theory of phase-sensitive partial coherence. Here we present that theory, contrasting it with the familiar case of phase-insensitive partial coherence, and use it to elucidate the classical-quantum boundary of ghost imaging. We show, both theoretically and experimentally, that classical phase-sensitive light produces ghost imaging most closely mimicking those obtained in biphotons, and we derived the spatial resolution, image contrast, and signal-to-noise ratio of a standoff-sensing ghost imager, taking into account target-induced speckle.

coherence theory↗
NASA NTRS2015

Analysis of JPSS J1 VIIRS Polarization Sensitivity Using the NIST T-SIRCUS

The polarization sensitivity of the Joint Polar Satellite System (JPSS) J1 Visible Infrared Imaging Radiometer Suite (VIIRS) measured pre-launch using a broadband source was observed to be larger than expected for many reflective bands. Ray trace modeling predicted that the observed polarization sensitivity was the result of larger diattenuation at the edges of the focal plane filter spectral bandpass. Additional ground measurements were performed using a monochromatic source (the NIST T-SIRCUS) to input linearly polarized light at a number of wavelengths across the bandpass of two VIIRS spectral bands and two scan angles. This work describes the data processing, analysis, and results derived from the T-SIRCUS measurements, comparing them with broadband measurements. Results have shown that the observed degree of linear polarization, when weighted by the sensor's spectral response function, is generally larger on the edges and smaller in the center of the spectral bandpass, as predicted. However, phase angle changes in the center of the bandpass differ between model and measurement. Integration of the monochromatic polarization sensitivity over wavelength produced results consistent with the broadband source measurements, for all cases considered.

reflective bands↗
NASA NTRSDate not supplied

Midlatitude cyclone processes as a key to understanding climate sensitivity

Global climate models (GCMs) differ greatly in their shortwave cloud feedback. One feature that is consistent across GCMs is a positive shortwave cloud feedback in the subtropics, and a negative shortwave cloud feedback across the midlatitudes. Confidence has grown in the mechanisms that lead to, and the strength of, the subtropical shortwave cloud feedback, but the midlatitude negative shortwave cloud feedback is not well-constrained or well-understood. It is critical to reduce uncertainty in midlatitude shortwave cloud feedback. A more positive midlatitude shortwave cloud feedback in the sixth coupled model intercomparison project (CMIP6) has been found to be one of the primary causes of the increased climate sensitivity of CMIP6 models relative to CMIP5. We show that changes in midlatitude cyclones in future climates are the primary cause of the negative shortwave cloud feedback and are thus key to understanding the high climate sensitivity in the most recent GCMs. Warming-induced changes in cloud liquid water path in midlatitude cyclones can almost entirely be explained by Clausius-Clapeyron increasing moisture convergence into cyclones. One concern with simulating midlatitude cyclones is the lack of predictive skill at low resolution. A more realistic relationship between moisture flux and cyclone liquid content is found at high horizontal resolution (∆x<25km), but the cloud feedback within cyclones can be explained by increased moisture convergence across low- and high-resolution models. Observations and models agree that the extratropical shortwave cloud feedback is moderated by precipitation processes in cyclones. This rules out a large contribution from ice-to-liquid transitions, as has been hypothesized in previous studies. Understanding and constraining these precipitation processes is crucial to constraining the response of midlatitude cyclones to warming and by extension climate sensitivity.

Cyclones↗
NASA NTRS2021

Observational Constraint on Cloud Feedbacks Suggests Moderate Climate Sensitivity

Global climate models (GCMs) predict warming in response to increasing greenhouse gases, partly due to decreased tropical low-level cloud cover and reflectance. We use satellite observations that discriminate stratocumulus (Sc) from shallow cumulus (Cu) clouds to separately evaluate their sensitivity to warming and constrain the tropical contribution to low-cloud feedback. We find an observationally inferred low-level feedback two times smaller than a previous estimate. Cu are insensitive to warming whereas GCMs exhibit a large positive cloud feedback in Cu regions. In contrast, Sc show sensitivity to warming and the tropical inversion layer strength, controlled by the tropical Pacific SST gradient. Models fail to reproduce the historical SST gradient trends and therefore changes in inversion strength, generating an overestimate of the positive Sc cloud feedback. Continued weak east-Pacific warming would therefore produce a weaker low-cloud feedback and imply a more moderate climate sensitivity (3.47  0.33 K) than many models predict.

Cloud feedback↗
NASA NTRSDate not supplied

Component-level Performance and Mass Sensitivity Analysis of NEP MW-class Power System

Nuclear electric propulsion (NEP) is a promising option towards enabling missions to Mars and is an area of interest for NASA’s Space Nuclear Propulsion project. This project is currently investigating technology development opportunities for an NEP vehicle. Physics-based modeling can be used in the early stages of technology development to gain understanding of the effects of technology and performance assumptions on the system performance and mass. This information can then inform technology maturation planning for near term development. By using a Brayton power conversion model and vehicle mass model for megawatt class NEP applications, a sensitivity analysis is performed to assess the impact of individual components’ performance on the power conversion system performance and system mass. A Monte Carlo simulation is also used to determine the variability in system mass based on uncertainty within the modeling parameters. The sensitivity analysis shows a high sensitivity to power conversion inlet temperature, compressor inlet temperature, and recuperator performance. A Monte Carlo analysis suggests a range of -10% to +15% for a 90% confidence interval on system mass based on the uncertainties in the model inputs.

Nuclear electric propulsion↗
NASA NTRSDate not supplied

Improved Assessment of Recent Trends in NOx and VOC Emissions and Ozone Production Sensitivity Regimes Using Satellite Data

This presentation highlights results from a NASA Aura Science Team and Atmospheric Composition Modeling and Analysis Program (ACMAP) project which study the capability to observe and model trends in ozone (O3) production regimes using spaceborne sensors. Ultraviolet– visible (UV–Vis) tropospheric column satellite retrievals of formaldehyde (HCHO) (a proxy for volatile organic compound [VOC] reactivity) and nitrogen dioxide (NO2) (a proxy for nitrogen oxides [NOx]) are frequently used to investigate the sensitivity of O3 production to emissions of NOx and VOCs. There are challenges that come from using satellite-derived ratios of HCHO and NO2 (FNR) to study O3 production sensitivity with the largest uncertainties associated with specific spaceborne sensor’s retrieval biases and errors. This study quantifies the differences and improvements in satellite retrievals of O3 production sensitivity regimes using FNRs when moving from legacy polar orbiting satellites such as the Ozone Monitoring Instrument (OMI) onboard NASA’s Aura satellite and Ozone Mapping and Profiler Suite Nadir Mapper (OMPS-NM) onboard the NASA/NOAA Suomi-NPP platform to newer, higher spatiotemporal resolution satellite sensors TROPOspheric Monitoring Instrument (TROPOMI) and eventually the recently launched NASA geostationary sensor Tropospheric Emissions: Monitoring of Pollution (TEMPO). Furthermore, we investigate how using retrievals of NO2 and HCHO from these different satellites to constrain model predictions impacts the ability to accurately simulate O3 chemistry including chemical production regimes. To this end, we have conducted inverse model simulations, using the WRF-CMAQ-DDM data assimilation system at 12 km × 12 km, to constrain emissions of NOx and VOCs over the contiguous United States (CONUS) when assimilating OMI and TROPOMI retrievals of NO2 and HCHO. Two advantages of this are that we a) account for each satellite’s errors/biases in the emission estimation and b) update the prior profile to ensure that only radiance information is used for optimizing the emissions. This presentation will demonstrate: a) the varying accuracy of different satellite retrieved FNRs and ability to capture known sub-annual emission trends (e.g., seasonal, weekend/weekday) and emission anomalies during the COVID-19 lockdown of 2020, b) the differences and improvements in top-down emission estimates of NOx and VOCs when constrained by newer satellite sensors compared to legacy systems, and c) multi-sensor optimized emission estimates of summer-time NOx and VOCs between 2019-2021.

Data↗
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 NTRSDate not supplied

NASA's Unsteady Pressure-Sensitive Paint Research and Operational Capability Developments

In the last three years, several advancements have been made to produce a new state-of-the-art capability in the field of Aerosciences. NASA’s Aerosciences Evaluations and Test Capabilities (AETC) Portfolio Office has funded a multi-year project to produce the unsteady Pressure-Sensitive Paint (uPSP) technology as an operational capability in key ground test facilities at NASA. The research and development has primarily been conducted at NASA Ames Research Center’s (ARC) Unitary Plan Wind Tunnel (UPWT) 11-by 11-ft Transonic Wind Tunnel (TWT). The NASA ARC UPWT is one of the ground test facilities under NASA AETC’s Portfolio Office. AETC’s goals are to provide the tools to deliver the technology innovations and breakthroughs necessary to address increasingly complex research and development challenges. AETC’s integrated approach will consider the complimentary high-end compute capabilities necessary to advance analysis in conjunction with ground experimental capabilities. The uPSP Capability Challenge Project is a demonstration of several different technologies: 1) the unsteady Pressure-Sensitive Paint (uPSP) technology, and 2) Project: Red Rover, establishing a secure, reliable, fast connection between experimental and computation facilities, leveraging NASA’s computational resources within the High-End Compute Capability (HECC) Project for processing, storing, and sharing data efficiently. This project demonstrates the technical diversity and technical inclusion need to advance the field of Aerosciences. The approach to combine subject matter experts in experimental methods, optical methods, production wind tunnel testing, network engineering, high-end computing, signal processing, grid generation, and visualization while establishing the required infrastructure for subject matter experts to have access to the data while the wind tunnel test is being conducted. The most recent advancements for the uPSP technology have focused on three key areas: development of data products, robust processing pipeline, operational efficiencies and uncertainty quantification.

buffet↗
DOE OSTI2024

Unveiling Highly Sensitive Active Site in Atomically Dispersed Gold Catalysts for Enhanced Ethanol Dehydrogenation

Developing a desirable ethanol dehydrogenation process necessitates a highly efficient and selective catalyst with low cost. Herein, we show that the “complex active site” consisting of atomically dispersed Au atoms with the neighboring oxygen vacancies (Vo) and undercoordinated cation on oxide supports can be prepared and display unique catalytic properties for ethanol dehydrogenation. The “complex active site” Au–Vo–Zr 3+ on Au 1 /ZrO 2 exhibits the highest H 2 production rate, with above 37,964 mol H 2 per mol Au per hour (385 g H 2 $\text{g}^{-1}_{\text{Au}} \text{h}^{–1}$) at 350 °C, which is 3.32, 2.94 and 15.0 times higher than Au 1 /CeO 2 , Au 1 /TiO 2 , and Au 1 /Al 2 O 3 , respectively. Combining experimental and theoretical studies, we demonstrate the structural sensitivity of these complex sites by assessing their selectivity and activity in ethanol dehydrogenation. Our study sheds new light on the design and development of cost-effective and highly efficient catalysts for ethanol dehydrogenation. Fundamentally, atomic-level catalyst design by colocalizing catalytically active metal atoms forming a structure-sensitive “complex site”, is a crucial way to advance from heterogeneous catalysis to molecular catalysis. Finally, our study advanced the understanding of the structure sensitivity of the active site in atomically dispersed catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Unveiling Highly Sensitive Active Site in Atomically Dispersed Gold Catalysts for Enhanced Ethanol Dehydrogenation

Developing a desirable ethanol dehydrogenation process necessitates a highly efficient and selective catalyst with low cost. Herein, we show that the “complex active site” consisting of atomically dispersed Au atoms with the neighboring oxygen vacancies (Vo) and undercoordinated cation on oxide supports can be prepared and display unique catalytic properties for ethanol dehydrogenation. The “complex active site” Au-Vo-Zr 3+ on Au 1 /ZrO 2 exhibits the highest H 2 production rate, with above 37,964 mol H 2 per mol Au per hour (385 g H 2 $g^{-1}_{Au}$ h -1 ) at 350 °C, which is 3.32, 2.94 and 15.0 times higher than Au 1 /CeO 2 , Au 1 /TiO 2 , and Au 1 /Al 2 O 3 , respectively. Combining experimental and theoretical studies, we demonstrate the structural sensitivity of these complex sites by assessing their selectivity and activity in ethanol dehydrogenation. Our study sheds new light on the design and development of cost-effective and highly efficient catalysts for ethanol dehydrogenation. Fundamentally, atomic-level catalyst design by colocalizing catalytically active metal atoms forming a structure-sensitive “complex site”, is a crucial way to advance from heterogeneous catalysis to molecular catalysis. In conclusion, our study advanced the understanding of the structure sensitivity of the active site in atomically dispersed catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Incorporating geological structure into sensitivity analysis of subsurface contaminant transport

Simulating subsurface contaminant transport at the kilometer-scale often entails modeling reactive flow and transport within and through complex geologic structures. These structures are typically meshed by hand and as a result geologic structure is usually represented by one or a few deterministically generated geological models for uncertainty studies of flow and transport in the subsurface. Uncertainty in geologic structure can have a significant impact on contaminant transport. In this study, the impact of geologic structure on contaminant tracer transport in a shale formation is investigated for a simplified generic deep geologic repository for permanent disposal of spent nuclear fuel. An open-source modeling framework is used to perform a sensitivity analysis study on transport of two tracers from a generic spent nuclear fuel repository with uncertain location of the interfaces between the stratum of the geologic structure. The automated workflow uses sampled realizations of the geological structural model in addition to uncertain flow parameters in a nested sensitivity analysis. Concentration of the tracers at observation points within, in line with, and downstream of the repository are used as the quantities of interest for determining model sensitivity to input parameters and geological realization. Finally, the results of the study indicate that the location of strata interfaces in the geological structure has a first-order impact on tracer transport in the example shale formation, and that this impact may be greater than that of the uncertain flow parameters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗