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At least 1,315 records · Page 73

Net Present Value Optimization of a Natural Gas Combined Cycle Plant with CO 2 Capture using a Water-Lean Solvent Considering Transient Electricity Price for Multiple Regions

Global CO 2 emissions are increasing at about a 1.5% rate per year. Fossil fuel-based plants are one of the main contributors to this rise. In the power generation industry, fossil fuel plants are dominant, and many plants are under development. In this study, a natural gas combined cycle (NGCC) power plant with postcombustion capture using a leading water-lean solvent is considered. For optimal design and operating schedule, large-scale dynamic optimization is undertaken for net present value (NPV) optimization. The first principle dynamic model of NGCC is developed, including a model of the highly efficient H-class gas turbines. For computational tractability of the dynamic optimization problem, a reduced-order model is developed by using the Hankel singular value decomposition. A waterlean solvent, N-(2-ethoxyethyl)-3-morpholinopropan-1-amine, is used for carbon capture. A model of the capture system is developed in Aspen Plus, which is used to develop a reduced-order model by using ALAMO, a machine learning software. In addition, a reduced model of the CO 2 compression system with a dehydration unit is also considered. The integrated system is used for NPV optimization by using the Python-based PYOMO platform. The PCC process is analyzed for three configurations-conventional packed bed, rotating packed bed (RPB), and a combination of RPB and direct contact cooler. The NPV optimization is performed for 14 regional markets by considering year-long clustered and continuous locational marginal price data with a 1 h interval. Optimization results show that the PCC can achieve 90% CO 2 capture with a positive NPV for six regions. Sensitivity studies conducted by using the PCC configurations indicate that the process is economically feasible for 9 regions out of 14 regional electricity markets with NPV values in the range of 33−540 $MM.

cabon capture↗

Analysis of Alternative Architectures for Cargo Lunar Landers

NASA’s Human Landing System (HLS) program has been working with commercial partners to develop human-class lunar landers to return the first American woman and next American man to the lunar surface in the mid 2020’s. In an effort to expand human presence beyond low Earth orbit, NASA’s Artemis program aims to facilitate a sustainable, long-term human presence in cis-lunar space. A component of this will require significant infrastructure to be delivered to the lunar surface. Delivering this infrastructure will require a significant lander capability that has yet to be developed. A thorough understanding of cargo lunar lander architectures is required such that select alternatives can be identified that best support the Artemis program’s objective of sustainability. The goal of this study is to aid NASA and its partners in the understanding of the cargo lunar lander trades space, as well as identify potential robust alternatives. The results will support NASA as it moves forward with key activities such as requirements formulation, agency strategic planning, and potential cargo lunar lander procurements. The study builds off of recent work performed by the Human Landing System program’s Architecture and Systems Analysis group to encompass a broad trade space of cargo lunar lander architecture alternatives. The current trade space as depicted by the morphological matrix and mission graph in Fig. 1 and Fig. 2, respectively, includes key alternative options that have become highly relevant due to current HLS activities and include on-orbit refueling, active cryogenic fluid management, Earth orbit aggregation, and global lunar access. The authors believe that there is also a statistically relevant impact of lander-payload configuration on the primary structure of the vehicle that could greatly impact alternative selection. Because of this, several conceptual lander-payload configurations will be evaluated to determine the level of impact. The current set of conceptual configurations are shown in Fig. 3 and Fig. 4. To aid the conceptual evaluation of these configurations, a catalogue of notional payloads has been developed that represent a wide range of masses and volumes that are expected to be delivered in support of a sustained human lunar presence, including pressurized and unpressurized rovers, surface habitats, power systems, and other support infrastructure. In order to execute this study in a timely fashion, a similar approach to that utilized in a similar 2019 study focused on 2024 human lunar sorties will be employed [1]. The team utilized a novel architecture synthesis framework currently being developed by NASA/MSFC to evaluate over 600,000 lunar lander architectures over a two month time frame [2]. From this large data set, varying ground rules and assumptions were applied as filters to explore the trade space to identify alternatives which exhibited robustness, as measured by launch vehicle payload margin, to absorb the natural growth that occurs during design maturation. The set of Earth-Moon system Delta-Vs assumed from the 2019 study, shown in Fig. 5, will be repurposed to accelerate model formulation for this effort. Additionally, current efforts in collaboration with the Georgia Institute of Technology’s Aerospace System Design Lab will be integrated to provide probabilistic modeling of the cargo lunar lander architectures to aid in identifying robust design alternatives [3]. The approach will help minimize potential impacts due to large levels of uncertainty inherent to pre phase-A conceptual design. By leveraging these past and present studies and partnerships, a highly detailed set of data can be generated in a short time period to aid NASA in the coming years to support the goal of a sustained human lunar presence.

Architectures↗

Carbon fiber design improvements based on economic models

Circular fiber geometries are predominant in commercial carbon fiber material systems, but the use of this fiber shape has numerous limitations. Circular geometries have continuous symmetry, which is helpful for various processing considerations, but also have the largest possible maximum diffusion thickness for a given fiber area. This characteristic means that circular carbon fibers always have the highest material processing cost and lowest production throughput compared to any other fiber shape with the same area and tow count. To quantify material cost and other benefits for non-circular carbon fiber geometries, process models for polyacrylonitrile based carbon fiber production are developed in relationship to the carbon fiber shape, size, and tow count. For a given fiber shape, precursor production costs are shown to favor maximizing fiber size while conversion costs are minimized by the smallest fiber size. These competing cost trends result in a numerically optimal fiber size for a given shape and tow count, while both cost components are decreased by increasing tow count. Cost–performance tradeoffs for three lobe fiber geometries are studied by supplementing the cost trends with a numerical failure model to predict compressive strength for discrete shape variants. The shape selection is shown to be more sensitive to variations in cost than compressive strength while suboptimal shape designs can improve manufacturing robustness and achievable fiber volume fractions. Finally, an optimal three lobe carbon fiber is identified that balances the set of considerations while reducing costs and embodied energy and increasing production throughput compared to a commercial carbon fiber.

Carbon fiber↗

EOS-AM1 Nickel Hydrogen Cell Interim Life Test Report

This paper reports the interim results of the Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missiles and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of the tests is to verify that the EOS-AM-l cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 13000 LEO cycles completed as of September 2, 1996. Each cycle consists of a 64 minute charge (VT at 1.507 volts per cell, 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5% DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60% DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 ampercs (VT at 1.54 volts per cell to 1.09 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three, 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battely, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (-5 C) cold plate. The entire assembly is located in a thermal chamber operating at +3 C. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at +10 C. The real-time LEO life test battery has met all performance requirements through the first 13,000 cycles, including: end of charge and discharge cell voltages and voltage gradients; end of chalge and discharge cell pressures; within cell and between cell temperature gradients; discharge capacity; current and power levels; and all chalge parameters. The accelerated stress test battely has completed over 5900 cycles as of 9/11/96. This paper reports both battery performances as a function of cycle life, with individual cell performance comparisons repolted for selected cycles in both tests.

Bennett, C. W.↗

EOS--AM1 Nickel Hydrogen Cell Interim Life Test Report

This paper reports the interim results of the Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missiles and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of the tests is to verify that the EOS-AM-1 cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 18202 LEO cycles completed as of September 1, 1997. Each cycle consists of a 64 minute charge (VT at 1.507 volts per cell. 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5% DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60% DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 amperes (VT at 1.54 volts per cell to 1.09 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three. 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battery, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (-5 C) cold plate. The entire assembly is located in a thermal chamber operatina at +30 C. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at +10 C. The real-time LEO life test battery has met all performance requirements throuch the first 18,202 cycles, including: end of chargee and discharge cell voltages and voltace -radients; end of charge and discharge cell pressures; within cell and between cell temperature gradients; discharge capacity; current and power levels; and all charge parameters. The accelerated stress test battery has completed 11,998 cycles when the test was terminated. The stress test unit met all test parameters. This paper reports battery performances as a function of cycle life for both the real time LEO and the accelerated life test regimes.

Bennett, C. W.↗

EOS-AM1 Nickel Hydrogen Cell

This paper reports the interim results of the Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missile and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of die tests is to verify that the EOS-AM-1 cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 18,202 LEO cycles completed as of September 1, 1997. Each cycle consists of a 64 minute charge (VT at 1.507 volts per cell, 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5% DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60% DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 amperes (VT at 1.54 volts per cell to 1.09 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three, 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battery, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (-5 C) cold plate. The entire assembly is located in a thermal chamber operating at +30 C. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at +10 C. The real-time LEO life test battery has met all performance requirements through the first 18,202 cycles, including: end of charge mid discharge cell voltages and voltage gradients; end of charge and discharge cell pressures; within cell and between cell temperature gradients; discharge capacity; current and power levels; and all charge parameters. The accelerated stress test battery has completed 11,998 cycles when the test was terminated. The stress test unit met all test parameters. This paper reports battery perfortnances as a funcfion of cycle life for both the real-time LEO and the accelerated life test regimes.

Bennett, Charles W.↗

Commercialization of High-Density High Assay Low Enriched Uranium Fuel Systems

The Office of Reactor Conversion and Uranium Supply (NA 231) at the National Nuclear Security Administration leads the conversion effort for the United States High Performance Research Reactors (USHPRR). These reactors are the final civilian reactors in the US to transition from High Enriched Uranium (HEU) to high assay low enriched uranium (HALEU). Each of these reactors represents unique capabilities and no currently available fuel system meets their needs for conversion. The Fuel Fabrication (FF) Pillar of the USHPRR project is responsible for the fabrication of experimental elements, conversion elements, and establishing a commercial economical production capability. FF is also responsible to share with the domestic and international community the theoretical knowledge gained. Other pillars within the USHPRR project provide the experimental and conversion fuel designs, assist the reactors with licensing activities, and ensure the entire fuel cycle is evaluated. Over the last decade, FF has worked with the production partners at Y-12 National Security Complex (Y-12) and BWXT Nuclear Operations Group, Research and Test Reactors (BWXT). Y-12 has begun processing the alloy feedstock for the conversion elements with a qualified process. BWXT has started the final fabrication of the experimental elements. Once the experimental elements are complete, BWXT will begin conversion element fabrication. The FF Pillar resides at Pacific Northwest National Laboratory (PNNL) and uses PNNL, universities, commercial vendors, and the DOE national laboratory system to evaluate process development activities to improve the process steps. FF supports the fabrication of two high density fuel systems, monolithic U-10Mo (Figure 1) and Uranium Silicide (Figure 2). The U-10Mo fuel system is further along the development process. FF assists in long term planning with the production partners. This includes ramping production of the elements from experimental quantities to annual steady state needs. As part of the ramp up, opportunities to improve yield and product quality are identified to ensure the fuel systems are cost effective.

Catalan, Michael A. [BATTELLE (PACIFIC NW LAB)]↗

EOS-AM1 Nickel Hydrogen Cell Interim Life Test Report

This paper reports the interim results Earth Observing System AM-1 project (EOS-AM-1) nickel hydrogen cell life test being conducted under contract to National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) at the Lockheed Martin Missiles and Space (LMMS) facility in East Windsor, NJ; and at COMSAT Labs., Clarksburg, MD. The purpose of the tests is to verify that the EOS-AM-1 cell design can meet five years of real-time Low Earth Orbit (LEO) cycling. The tests include both real-time LEO and accelerated stress tests. At LMMS, the first real-time LEO simulated 99 minute orbital cycle started on February 7, 1994 and the test has been running continuously since that time, with 18202 LEO cycles completed as of September 1, 1997. Each cycle consists of a 64-minute charge (VT at 1,507 volts per cell, 1.06 C/D ratio, followed by 0.6 ampere trickle charge) and a 35 minute constant power discharge at 177 watts (22.5 percent DOD). At COMSAT, the accelerated stress test consists of 90 minute orbital cycles at 60 percent DOD with a 30 minute discharge at 60 amperes and a 60 minute charge at 40 amperes (VT at 1.54 volts per cell to 1.90 C/D ratio, followed by 0.6 ampere trickle charge). The real-time LEO life test battery consists of seven, 50AH (nameplate rating) Eagle-Picher, Inc. (EPI) Mantech cells manufactured into three, 3-cell pack assemblies (there are two place holder cells that are not part of the life test electrical circuit). The test pack is configured to simulate the conductive thermal design of the spacecraft battery, including: conductive aluminum sleeves, 3-cell pack aluminum baseplate, and honeycomb panel all mounted to a liquid (minus 5 deg) cold plate. The entire assembly is located in a thermal chamber operating at plus 3 deg. The accelerated stress test unit consists of five cells mounted in machined aluminum test sleeves and is operating at plus 10 deg. The real-time LEO life test battery has met all performance requirements through the first 18,202 cycles, including: end of charge and discharge cell voltages and voltage gradients; end of charge and discharge cells pressures; within cell and between cell temperature gradients dischare capacity; current and power levels; and all charge parameters. The accelerated stress test battery has completed 11998 cycles when the test was terminated. The stress test unit met all test parameters. This paper reports battery performances as a function of cycle life for both the real-time LEO and the accelerated life test regimes.

Bennett, Charles W.↗

HAPPA: A Modular Platform for HPC Application Resilience Analysis with LLMs Embedded

High-performance computing (HPC) systems are increasingly vulnerable to soft errors, which pose significant challenges in maintaining computational accuracy and reliability. Predicting the resilience of HPC applications to these errors is crucial for robust code protection and detailed resilience analysis. In this study, we present HAppA, a modular platform designed for HPC Application Resilience Analysis. Embedding Large Language Models (LLMs), HAppA addresses understanding the context information of long code sequences typical in HPC applications. HAppA implements a novel code representation module that chunks the code into fixed-size segments and aggregates the embeddings of these segments. Three aggregation methods have been explored: MeanPooling, MaxPooling, and LSTM-based techniques. We built a DAtaset for REsilience analysis using Fault Injection (FI), named DARE. Using our DARE dataset, HAppA is trained for regression prediction tasks. Our evaluation results demonstrate the predictive accuracy of HAppA compared to other models, particularly noting that the LSTM-based aggregation method -- HAppA-LSTM -- achieves a mean squared error (MSE) of 0.078 for SDC prediction, surpassing the existing state-of-the-art PARIS model, which recorded an MSE of 0.1172. Additionally, HAppA with the KeyBERT model extracts a list of keywords representing the source code. A comprehensive importance analysis of these keywords further elucidates the code patterns contributing to the error rate. These findings highlight the effectiveness of HAppA in analyzing the resilience of HPC applications and establish a new benchmark for predictive accuracy in resilience.

Jiang, Hailong [Kent State University]↗

Basic Research Needs for Inverse Methods for Complex Systems under Uncertainty

Inverse problems, which aim to infer unknown properties of a system using experimental and observational data, are central to addressing many of the U.S. Department of Energy’s (DOE) most critical scientific and engineering challenges. Accurate, computationally efficient, and data-efficient solutions to inverse problems are essential for advancing DOE mission-critical science drivers, including analyzing data from large-scale experimental facilities, optimizing fusion reactor performance, accelerating materials discovery, enhancing geophysical imaging, improving wildfire predictions, and enabling autonomous systems and digital twins. However, these problems are becoming increasingly complex, often involving nonlinear, highdimensional, and interconnected systems and models that span multiple physics and scales, while relying on data with varying quantity, quality, and information content. Compounding these challenges is the uncertainty inherent in DOE-relevant systems, where errors in inputs, noise in data, incompleteness of data, and discrepancies between models and reality constrain the accuracy and precision of solutions. At the same time, the convergence of recent scientific computing trends—scientific machine learning, artificial intelligence, and computing advances such as exascale computing—is creating unprecedented opportunities for tackling these challenges. The cross-cutting nature of inverse problems, combined with their growing complexity and rapidly evolving data and algorithmic demands, strongly motivates the formulation of a prioritized research agenda to maximize their capabilities and impact. In response to this need, DOE’s Advanced Scientific Computing Research (ASCR) program in the Office of Science convened the Workshop on Basic Research Needs for Inverse Problems for Complex Systems Under Uncertainty in June 2025. This workshop brought together experts across disciplines to identify grand challenges and major opportunities in the field. Through collaborative discussions, the workshop defined transformative research directions aimed at addressing the mathematical, statistical, and computational challenges posed by inverse problems under uncertainty. As a result of these efforts, four priority research directions (PRDs) were identified to guide future research and development in this area. These PRDs, summarized below, represent a roadmap for advancing the foundational science and mathematics of inverse problems, enabling robust, scalable, and uncertainty-aware solutions that are critical for DOE applications.

97 MATHEMATICS AND COMPUTING↗

MULTI-PRED: A Software Module for Predictive Modeling of Coupled Multi-Physics Systems: User's Manual

This User’s Manual describes the code module MULTI-PRED, written in FORTRAN which implements the methodology for “predictive modeling of coupled multi-physics systems (PM-CMPS)” formulated by Cacuci (2014). This methodology fully takes into account the coupling terms between the systems but requires only the computational resources that would be needed to perform predictive modeling on each system separately. The PM-CMPS methodology uses the maximum entropy principle to construct an optimal approximation of the unknown a priori distribution based on a priori known mean values and uncertainties characterizing the experimental and computational parameters and results of interest responses, called for the multi-physics models under consideration. This “maximum entropy” a priori distribution is combined, using Bayes’ theorem, with the “likelihood” provided by the multi-physics simulation models to obtain a formal posterior distribution. Subsequently, the posterior distribution thus obtained is evaluated using the saddle-point method to obtain analytical expressions for the optimally predicted values for the multi-physics models parameters and responses along with corresponding reduced uncertainties. Noteworthy, the predictive modeling methodology for the coupled systems is constructed such that the systems can be considered sequentially rather than simultaneously, while preserving exactly the same results as if the systems were treated simultaneously. Consequently, very large coupled systems, which could perhaps exceed available computational resources if treated simultaneously, can be treated with the PM-CMPS methodology presented in this work sequentially and without any loss of generality or information, requiring just the resources that would be needed if the systems were treated sequentially. Three illustrative demonstration problems are also provided. The first problem presents the application of the PM-CMPS methodology to a simple particle diffusion problem which admits a closed-form analytical solution which facilitates a rapid understanding of this methodology and its predicted results. The second demonstration problem presents the application of the PM-CMPS methodology to the problem of inverse prediction, from detector responses in the presence of counting uncertainties, of the thickness of a homogeneous slab of material containing uniformly distributed gamma-emitting sources, for optically thin and thick slabs. This problem highlights the essential role played by the relative uncertainties (or, conversely, accuracies) of measured and computed responses. The third demonstration problem presents the application of the PM-CMPS methodology to the F-area cooling towers at the Savannah River National Lab. This problem demonstrates that the PM-CMPS methodology reduces the predicted response uncertainties not only at locations where measurements are available, but also at locations where measurements are not available.

97 MATHEMATICS AND COMPUTING↗

Hanford Waste Treatment Plant LAB Facility Stack Effluent Monitoring: Sampling Probe Location Qualification Evaluation

The Waste Treatment Plant laboratory (LAB) facility stack monitor locations were qualified using scale model stacks to mitigate the risk of identifying that sampling locations do not meet the qualification criteria on the full-scale stack. As required by the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1-1999 standard, the scale model and its sampling location were geometrically similar to the actual stack, and the Reynolds numbers for both the actual and model stacks were >10,000. An additional criterion is that the product of the hydraulic diameter and mean velocity (DV) of the full-scale stack must be between 1/6 DV and 6 DV of the scale model stack tests. Verification tests of the LAB stacks were performed at normal operating conditions. The minimum 1/6 DV value, along with the maximum 6 DV value from the scale model testing, determines the range of conditions for which the full-scale stack may be operated and remain in compliance with the stack verification criterion. A practical range for the full-scale stack qualification uses the average DV through 6 DV from the scale model tests to compute the corresponding flow rates. Table S1 lists the operating flow rates along with the average and maximum qualified stack flow rates for each of the LAB facility stacks. For each stack, the operating flow is below the maximum qualified stack flow, which means that the scale model test results are acceptable for stack qualification. The remaining criteria for the stack verification to be considered valid involve the flow angle and velocity uniformity results. First, the flow angle at the full-scale stack must be ≤20°. Second, the velocity uniformity at the full-scale stack must be ≤20% coefficient of variance (COV). Finally, the velocity uniformity results for the actual and scale model stack tests must agree within 5% COV. These criteria were met through the full-scale stack tests at the LAB facility. Flow angle results were primarily less than 10°, except for the LB-C2 Fan A results, which were an average of 13.7°; all flow angle results were within the ≤20° criterion. The velocity uniformity results for each test condition averaged between 1.5 and 4.1% COV, which were all within the range of the target percent coefficient of variation values from the scale model tests. Based on these stack verification test results, the three LAB filtered exhaust stack sampling locations meet the qualification criteria provided in the ANSI/HPS N13.1-1999 standard for all fan operating configurations. This includes single-fan as well as dual-fan operations for LB-C2, each of the dual-fan operating conditions for LB-S1, and each single-fan operating condition for LB-S2. Further changes to the system configuration or operating conditions that are outside the bounds described in this report may require additional tests or analyses to determine compliance with the standard.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Subtask 1.1 – Advanced Characterization of Unconventional Oil and Gas Reservoirs to Enhance CO2 Storage Resource Estimates

The Energy & Environmental Research Center (EERC) developed methods and approaches for advanced characterization of unconventional oil and gas reservoirs to enhance CO2 storage resource estimates using samples collected from organic-rich shales of the Bakken Formation. The project was funded under U.S. Department of Energy (DOE) Cooperative Agreement No. DE-FE0024233, with nonfederal cost share provided by Hitachi High Technologies America. The project participants included the EERC, Hitachi High Technologies America, the team at the National Energy Technology Laboratory’s (NETL’s) computed tomography (CT) scanning laboratory in Morgantown, West Virginia, and several NETL staff who have worked on CO2 storage resource estimation. Investigations on the use of subsurface geologic formations for CO2 storage have been ongoing for many years. In the last decade, improvements in directional drilling technology and hydraulic fracturing of organic-rich shale and other tight rock formations have opened new opportunities for CO2 storage, with the potential cobenefit of enhancing gas and oil recovery. Gas-bearing, organic-rich shales have been of particular interest as a carbon storage target because their ability to store large volumes of CO2 is implied by their ability to store methane; however, estimating the CO2 storage resource of organic-rich shales and other unconventional reservoirs is challenging because of the lack of detailed geologic and petrophysical data that are needed to develop improved volumetric equations. According to NETL’s method for estimating regional-scale CO2 storage resources, the key factors that control CO2 storage in geologic formations include void space within induced fractures, natural fractures and matrix pores, as well as the occurrence and distribution of organic matter (OM) and clay minerals. A key goal of this effort was to use field emission scanning electron microscopy (FESEM) analysis of fine-grain unconventional reservoir rocks coupled with advanced image analysis and machine learning techniques to quantify the occurrence and distribution of porosity, OM, and clay minerals. By better understanding the potential migration pathways of CO2 within tight rocks and quantifying the occurrence of sorptive components (OM and clays) along potential flow pathways, methods to estimate the CO2 storage resource of such rocks can be refined. The Bakken petroleum system (Bakken) was used as the source of rock samples for this effort because it includes organic-rich shales with contrasting degrees of thermal maturity as well as tight, nonshale clastic rocks with varying clay mineral content. To better understand the key components of interest in tight rock samples, the EERC worked closely with Hitachi to optimize the FESEM settings necessary to resolve the sample mineralogy, porosity and OM content at micro- to nanoscale resolution. The EERC also worked closely with Hitachi to apply and improve its advanced mineral identification and characterization system (AMICS) software so that it is better suited for mineral identification at the high resolution necessary to resolve features of interest in fine-grained rocks such as organic-rich shales. The EERC also applied advanced image analysis software packages, including Ilastik, to classify and quantify the key components of interest within the samples using FESEM imagery. These advanced techniques allowed for quantification and differentiation of the void space within fractures, pores and OM, as well as a technique to determine and quantify the key mineral and OM components surrounding pore spaces. Being able to better quantify the void space and the potential accessibility of CO2 to sorptive minerals or OM within tight rocks allows for improved estimation of the CO2 storage resource potential of organic-rich shales and other unconventional formations. The information derived from the image analysis techniques was used to refine NETL’s method for estimating regional-scale CO2 storage resources in collaboration with staff from NETL. An additional goal of this work was to better understand rates of CO2 permeation, flow pathways, and sorption in organic-rich shales and nonshale reservoir rocks and to evaluate potential changes in CO2 flow over time. The EERC conducted long-duration (several weeks) CO2 flow-through testing at reservoir conditions using Bakken shale and nonshale samples to assess CO2 permeation rates and retention/sorption within core plugs to represent bulk matrix behavior. Conventional isothermal adsorption testing over a range of pressure conditions was also performed on pulverized Bakken samples to better assess potential maximum sorptive capacity of the samples. The results of this testing illustrated the higher sorptive capacity of the Bakken shales when compared to the sorptive capacity of the nonshale reservoir rock, which contains very little OM when compared to the Bakken shales. The results also illustrate the differences in permeation behavior as a function of fracture flow versus matrix flow. In an attempt to visualize CO2 permeation and flow behavior in Bakken shale samples over time, the EERC collaborated with NETL’s CT Lab in Morgantown, West Virginia. A variety of tests were performed at the NETL lab on unfractured and fractured samples of the Bakken shale. The unfractured Bakken shale samples did not result in CO2 migration within the samples over the testing duration; thus imagery of CO2 migration pathways within the matrix of Bakken samples was not obtained. The results of the flow-through testing within fractured samples illustrate changes in CO2 permeation rates over time, with a trend of decreasing CO2 flow over time. The results of this effort suggest that FESEM analysis coupled with advanced image analysis and machine learning techniques are effective in characterizing and quantifying the mineralogy, porosity, fractures, and OM content of 2-D imagery at the high resolution needed to identify features of interest in tight rocks. In addition, the image analysis techniques allow for identification and quantification of different porosity types as well as the key mineral components and/or OM that CO2 would contact in the reservoir as it migrates through pores and fracture networks. This is key information needed to better estimate the CO2 storage resource potential of organic-rich shales and other tight reservoirs. Additional work is needed to determine the sorptive capacity of the individual sample components (OM and clay minerals) at reservoir conditions so that this approach and the refined CO2 storage resource equation can be applied to other shale and unconventional reservoirs. In addition, subsequent work should be performed to better understand the number of images needed to use stereological approaches to estimate the volume of sample components using 2-D imagery, to explore machine learning techniques to differentiate between induced vs. natural fractures, and to estimate the connectivity of pores and fracture networks using 2-D imagery. Being able to derive this information at the microscale would facilitate scaling up of the sample characterization data used for reservoir modeling and simulation to estimate the CO2 storage resource potential of tight formations.

03 NATURAL GAS↗

Simulating Atmospheric Processes in Earth System Models and Quantifying Uncertainties With Deep Learning Multi‐Member and Stochastic Parameterizations

Abstract Deep learning is a powerful tool to represent subgrid processes in climate models, but many application cases have so far used idealized settings and deterministic approaches. Here, we develop stochastic parameterizations with calibrated uncertainty quantification to learn subgrid convective and turbulent processes and surface radiative fluxes of a superparameterization embedded in an Earth System Model (ESM). We explore three methods to construct stochastic parameterizations: (a) a single Deep Neural Network (DNN) with Monte Carlo Dropout; (b) a multi‐member parameterization; and (c) a Variational Encoder Decoder with latent space perturbation. We show that the multi‐member parameterization improves the representation of convective processes, especially in the planetary boundary layer, compared to individual DNNs. The respective uncertainty quantification illustrates that methods (b) and (c) are advantageous compared to a dropout‐based DNN parameterization regarding the spread of convective processes. Hybrid simulations with our best‐performing multi‐member parameterizations remained challenging and crash within the first days. Therefore, we develop a pragmatic partial coupling strategy relying on the superparameterization for condensate emulation. Partial coupling reduces the computational efficiency of hybrid Earth‐like simulations but enables model stability over 5 months with our multi‐member parameterizations. However, our hybrid simulations exhibit biases in thermodynamic fields and differences in precipitation patterns. Despite this, the multi‐member parameterizations enable improvements in reproducing tropical extreme precipitation compared to a traditional convection parameterization. Despite these challenges, our results indicate the potential of a new generation of multi‐member machine learning parameterizations leveraging uncertainty quantification to improve the representation of stochasticity of subgrid effects.

Behrens, Gunnar [Deutsches Zentrum für Luft‐ und R↗

FTIR instrumentation to monitor vapors from Shuttle tile waterproofing materials

The Space Shuttle Thermal Protection System (TPS) tiles and blankets are waterproofed using DimethylEthoxySilane (DMEX) in the Orbiter Processing Facilities (OPF). DMES has a Threshold Limit Value (TLV) for exposure of personnel to vapor concentration in air of 0.5 ppm. The OPF high bay cannot be opened for normal work after a waterproofing operation until the DMES concentration is verified by measurement to be below the TLV. On several occasions the high bay has been kept closed for up to 8 hours following waterproofing operations due to high DMES measurements. In addition, the Miran 203 and Miran 1 BX infrared analyzers calibrated at different wavelengths gave different readings under the same conditions. There was reason to believe that some of the high DMES concentration readings were caused by interference form water and ethanol vapors. The Toxic Vapor Detection Laboratory (TVDL) was asked to test the existing DMES instruments and identify the best qualified instrument. In addition the TVDL was requested to develop instrumentation to ensure the OPF high bay could be opened safely as soon as possible after a waterproofing operation. A Fourier Transform Infrared (FTIR) spectrophotometer instrument developed for an earlier project was reprogrammed to measure DMES vapor along with ethanol, water, and several common solvent vapors. The FTIR was then used to perform a series of laboratory and field tests to evaluate the performance of the single wavelength IR instruments in use. The results demonstrated that the single wavelength IR instruments did respond to ethanol and water vapors, more or less depending on the analytical IR wavelength selected. The FTIR was able to separate the responses to DMES, water and ethanol, and give consistent readings for the DMES vapor concentration. The FTIR was then deployed to the OPF to monitor real waterproofing operations. The FTIR was also used to measure the time for DMES to evaporate from TPS tile under a range of humidity conditions in controlled laboratory tests. The combination of laboratory and field tests with the FTIR instrument demonstrated superior sensitivity, ability to reject interference from water and ethanol vapors, ruggedness to be transported from the lab to the OPF and set up without special procedures or degradation of performance. The multiple component vapor analysis algorithm was developed at KSC and incorporates automatic baseline correction and shape fitting of the spectra. The analysis for DMES, TetraMethylDiSiloxane (TMDS), ethanol, methanol, isopropanol, and baseline parameters uses 161 points per sample at 4 cm(exp -1) resolution, and processes an eight scan sample every ten seconds. The standard deviation of the measurements is 0.013 ppm and the upper linear limit is 125 ppm DMES. Based on successful demonstration of capabilities we produced three mobile instrument carts to be used in each OPF to support future waterproofing operations. The design and building of the 'DMES Carts' were accomplished in Fiscal year 1995.

Mattson, C. B.↗

Navigating the Noise: Bringing Clarity to ML Parameterization Design With O $\boldsymbol{\mathcal{O}}$(100) Ensembles

Abstract Machine‐learning (ML) parameterizations of subgrid processes (here of turbulence, convection, and radiation) may one day replace conventional parameterizations by emulating high‐resolution physics without the cost of explicit simulation. However, uncertainty about the relationship between offline and online performance (i.e., when integrated with a large‐scale general circulation model) hinders their development. Much of this uncertainty stems from limited sampling of the noisy, emergent effects of upstream ML design decisions on downstream online hybrid simulation. Our work rectifies the sampling issue via the construction of a semi‐automated, end‐to‐end pipeline for size ensembles of hybrid simulations, revealing important nuances in how systematic reductions in offline error manifest in changes to online error and online stability. For example, removing dropout and switching from a Mean Squared Error to a Mean Absolute Error loss both reduce offline error, but they have opposite effects on online error and online stability. Other design decisions, like incorporating memory, converting moisture input from specific humidity to relative humidity, using batch normalization, and training on multiple climates do not come with any such compromises. Finally, we show that ensemble sizes of may be necessary to reliably detect causally relevant differences online. By enabling rapid online experimentation at scale, we can empirically settle debates regarding subgrid ML parameterization design that would have otherwise remained unresolved in the noise.

Lin, Jerry [Department of Earth System Sciences Un↗

Surrogate models for development of unconventional shale reservoirs by an integrated numerical approach of hydraulic fracturing, flow and geomechanics, and machine learning

We develop well-completion surrogate models by taking an integrated workflow of hydraulic fracturing, flow, geomechanics, and machine learning simulation. There are three steps in the proposed workflow. First, history-matching processes are conducted with the field data including pumping and production data for characterization. Second, full-physics simulation is performed with various parameters of the field development (e.g., cluster spacing, clusters per stage, pumping rates and times, amount of proppant, and well spacing) to generate multiple simulation results by changing the parameters of the completion design with well-known hydraulic fracturing, reservoir, geomechanics simulators to calculate fracture geometry, reservoir depressurization, induced stress changes. The workflow is demonstrated over a field in the Southern Midland Basin. Here, we take two completion scenarios: a single well case followed by a multi-well case. Finally, a Long Short-Term Memory (LSTM) machine learning algorithm is employed to create surrogate models that can replicate the full-physics simulation results. Furthermore, results show that the trained models applied in the single well and multi-well cases for a particular geological system can provide good accuracy close to those provided by full-physics simulations. Specifically, the site-specific surrogate models can predict fracture parameters (length, height, and surface area) and cumulative production accurately with computational efficiency, suggesting our proposed workflow can be used as a pragmatic tool for expediting the well completion optimization process.

Geomechanics↗

Recyclable Design for Retaining High Solar Absorptivity of the Media in CSP

Efficient thermal energy storage is pivotal to lowering the levelized cost of electricity (LCOE) for Concentrating Solar Power (CSP) plants. In solid-particle systems, however, prolonged high-temperature service degrades particle solar absorptivity, eroding overall efficiency. This project demonstrates a hydrogen-assisted recovery process that reliably restores absorptivity to >90 %, offering a practical route to sustain long-term CSP performance. Bench-scale investigations mapped the reduction kinetics of optically faded particles across hydrogen concentrations, temperatures, and residence times. Coupling mass-spectrometric monitoring with machine-learning optimization minimized energy demand while maximizing absorptivity gain. The resulting process window—moderate hydrogen partial pressures, 15–30 min dwell times, and temperatures well below initial calcination levels—cuts energy consumption well below that of incumbent re-blackening methods. A prototype recovery reactor processed multiple 2 kg batches with repeatable outcomes, confirming scalability and operational robustness. Integrated techno-economic analysis indicates material and operating cost reductions exceeding 15 % relative to conventional particle replacement or chemical re-coating, translating directly into lower LCOE for next-generation CSP facilities. By uniting fundamental reaction-kinetics insight with pragmatic engineering, this work advances the solid-particle pathway, delivering a cost-effective, field-deployable solution to one of CSP’s key durability challenges and strengthening the commercial outlook for high-temperature renewable power.

14 SOLAR ENERGY↗