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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 145 records · Page 8

Uncertainty-Based Design: Finite Element and Explainable Machine Learning Modeling of Carbon–Carbon Composites for Ultra-High Temperature Solar Receivers

Design under uncertainty has significantly grown in research developments during the past decade. Additionally, machine learning (ML) and explainable ML (XML) have offered various opportunities to provide reliable predictable models. The current article investigates the use of finite element modeling (FEM), ML and XML predictions, and uncertain-based design of carbon-carbon (C-C) composites for use in ultra-high temperatures. A C-C composite concentrating solar power (CSP) as a microvascular receiver is considered as a case study. These C-C composites are fiber composites with directly integrated carbonized microchannels to form a lightweight, high-absorptivity material that includes an embedded microvascular network of channels. The topology of these microchannels is engineered to optimize heat transfer to a supercritical carbon dioxide (sCO2) heat transfer fluid. The mechanical characterization of C-C composites is highly challenging. Thus, designing every component made of C-C composites for ultra-high temperature applications needs an uncertainty-based analysis. As a part of a comprehensive project on the development of a novel carbonized microvascular C-C composite, this paper explores C-C composite sensitivity analysis, FEM, ML prediction, and XML analysis. The resulting composite can then be carbonized and coated with an oxidation-resistant coating to form a thermally efficient and mechanically robust C-C composite. An ANSYS 3-D-FE model was used to analyze the CSP’s stress/strain. To consider the variability in the mechanical and thermal properties of C-C composites, various mechanical properties are considered as the ANSYS FEM’s input. A synthetic dataset from 730 ANSYS runs was produced to feed into the ML and XML algorithms for uncertainty analysis and prediction. The ML and XML algorithms could accurately predict the CSP stresses/strains.

Daghigh, Vahid (ORCID:0000000298941620)↗

Can classical DEM simultaneously capture compressibility and flowability of milled biomass?

Accurate prediction of the rheological behavior of biomass is essential for the design and operation of hoppers, feeders, and storage systems in biorefineries. This study examines whether the classical, coarse-grained discrete element method (DEM) formulation can simultaneously reproduce the compressibility and flowability of milled herbaceous biomass, using Miscanthus × giganteus as a representative material. The model represents particles as rigid spheres interacting through Hertz-Mindlin elastic-frictional contacts augmented with an area-dependent cohesion term. Laboratory cyclic compression and wedge-shaped hopper discharge experiments were used as calibration benchmarks. Although the model can independently reproduce each behavior by appropriately tuning particle Young's modulus E and cohesion energy density k, an extensive parametric investigation comprising more than 600 simulations reveals that the optimal parameter regions for compression and hopper flow are distinct and non-overlapping in (E, k) space. Surrogate surface analysis further shows that the corresponding objective-function valleys exhibit similar trends but are approximately parallel and spatially offset, precluding a unified calibration within the explored domain. Sensitivity analysis indicates that compressibility is governed predominantly by stiffness and cohesion, whereas the slope of the mass flow rate-opening relation in hopper discharge is primarily controlled by tangential friction. Extensions incorporating particle size distribution and clumped-sphere representations do not eliminate the incompatibility. These results systematically reveal, for the first time, the structural limitation of simplified DEM formulations in representing biomass rheological behavior, underscoring the necessity for models incorporating additional physical mechanisms, such as particle deformability or enhanced interlocking, to achieve unified predictive capability for biomass handling behavior.

09 BIOMASS FUELS↗

Testing lepton flavor universality at future Z factories

As one of the hypothetical principles in the Standard Model (SM), lepton flavor universality (LFU) should be tested with a precision as high as possible such that the physics violating this principle can be fully examined. The run of a Z factory at a future e + e − collider, such as the Circular Electron-Positron Collider or Future Circular Collider (electron/positron), provides a great opportunity to perform this task because of the large statistics and high reconstruction efficiencies for b hadrons at the Z pole. In this paper, we present a systematic study on the LFU test in future Z factories. The goal is threefold. First, we study the sensitivities of measuring the LFU-violating observables of b → c τ ν , i.e., R J / ψ , R D s , R D s * , and R Λ c , where τ decays muonically. For this purpose, we develop the strategies for event reconstruction, based on the track information significantly. Second, we explore the sensitivity robustness against detector performance and its potential improvement with the message of event shape or beyond the b -hadron decays. A picture is drawn on the variation of analysis sensitivities with the detector tracking resolution and soft photon detectability, and the impact of Fox-Wolfram moments is studied on the measurement of relevant flavor events. Finally, we interpret the projected sensitivities in the SM effective field theory, by combining the LFU tests of b → c τ ν and the measurements of b → s τ + τ − and b → s ν ¯ ν . We show that the limits on the LFU-violating energy scale can be pushed up to ∼ O ( 10 ) TeV for ≲ O ( 1 ) Wilson coefficients at Tera- Z . Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Response tailoring of elasto-plastic trusses

Abstract In this work we tailor the response of trusses loaded beyond their yield limit. The truss structures are modeled using finite strain theory and rate-independent elasto-plasticity. We design trusses with a tailored mechanical response that is between “elastic” and “elastic-ideal-plastic” subject to the volume constraint. The design updates are generated by the gradient-based Method of Moving Asymptotes (MMA) solver and the sensitivities of the response functions are computed using a path-dependent adjoint sensitivity analysis. The computations are performed in Matlab.

42 ENGINEERING↗

Numerical Simulation of a Natural Convection–Driven Air-Cooled Reactor Cavity Cooling System Experiment

Ensuring the efficient removal of decay heat from the reactor vessel is essential for the safety of advanced reactor technologies. Several Generation-IV concepts incorporate variations in the reactor vessel cooling systems to achieve this objective. High-temperature gas-cooled reactors utilize a reactor cavity cooling system (RCCS), a passive ex-vessel system designed to operate without active components or external power during accident conditions. The RCCS removes decay heat primarily through radiative and convective heat transfer mechanisms. Here, this study presents a comprehensive validation of a computational fluid dynamics Reynolds-averaged Navier-Stokes model for the University of Wisconsin-Madison air-cooled RCCS facility. Validation was conducted for both high- and low-power natural convection cases under a uniform heating profile. Near-wall resolution was found to be critical for accurately modeling natural convection in the RCCS; employing an all-𝑦 + wall treatment resulted in wall temperature discrepancies exceeding 50 °⁢𝐶 compared to a wall-resolved mesh. Thermal-hydraulic behaviors under natural and forced convection conditions were compared within the heated cavity and RCCS. A turbulence model sensitivity analysis indicated that low-Reynolds number k-ɛ, k-ω shear stress transport (SST), and Reynolds stress transport models produce similar wall temperature predictions. A buoyancy modeling sensitivity study revealed that the Boussinesq approximation significantly underpredicted thermal-hydraulic behavior in the RCCS. Based on these findings, modeling recommendations are provided. The validated data set along with identified sensitivities refine the modeling of natural convection in the RCCS. The information produced by this study supports RCCS design, optimization, and safety evaluations, enabling the calibration and verification of reduced-order thermal-hydraulic models.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

A Full-Cell Model for Direct Toluene Electro-Hydrogenation Electrolysis

Liquid organic hydrogen carriers (LOHCs) are organic molecules that undergo a hydrogenation/dehydrogenation cycle to enable storage and transportation of hydrogen fuel under ambient conditions. One promising LOHC candidate is toluene, which can be converted to methylcyclohexane (MCH) electrochemically, enabling a decarbonized process when green electricity is used. In this study, we developed a full-cell model for the direct electro-hydrogenation of toluene to MCH, utilizing a zero-gap membrane electrode assembly architecture. The model incorporates electrochemical kinetics, ionic transport, water transport across the membrane, and mass transport effects. Electrochemical kinetics are characterized using Tafel analysis on Pt/Ru catalyst. The model is validated against experimental data, including polarization curves, Faradaic efficiencies, and water crossover. A voltage breakdown analysis shows that the performance is dominated by kinetic losses, and the model is used to carry out a comparison of different toluene electro-hydrogenation reaction catalysts. Finally, a sensitivity analysis is conducted on key design parameters illustrating which can be modified to maximize electrolyzer performance. The cathode specific surface area and cathode porous transport layer thickness (PTL) have the largest impact on the current density, while the PTL thickness and Pt loading in the PTL have the largest impact on Faradaic efficiency.

Ehlinger, Victoria M. [Lawrence Livermore National↗

Reservoir Characterization and Techno-Economic Analysis of Enhanced Geothermal and Closed-Loop Systems in the Wattenberg Field of the Denver-Julesburg Basin, Colorado

This report provides details of reservoir characterization and techno-economic analysis for enhanced geothermal systems and closed-loop geothermal systems in the Denver-Julesburg Basin Wattenberg area. The analysis contributes to the Geothermal Limitless Approach to Drilling Efficiencies (GLADE) project, a multi-institutional research initiative focused on advancing geothermal energy development by reducing drilling costs and improving the rate of penetration. The GLADE project brings together national laboratories, academic institutions, and industry partners, including the U.S. Department of Energy's Geothermal Technologies Office, Occidental Petroleum, the National Laboratory of the Rockies (NLR), Los Alamos National Laboratory, Colorado School of Mines, Louisiana State University, Texas A&M University, and several drilling technology companies. As part of this effort, NLR developed and applied slender-body theory modeling tools and the GEOPHIRES simulator to support techno-economic analysis. The slender-body theory wellbore simulator evaluated thermal performance in U-loop, Eavor-type multilateral, and enhanced geothermal system well configurations. Results indicated that an optimized single U-loop design delivers an outlet temperature of 168.8 degrees Celsius,stabilizing at a final outlet temperature of 135.3 degrees Celsius. Heat production also improved significantly, with an average thermal output of 16.9 MWth and a final thermal output of 11.0 MWth. These results provided critical baseline data for selecting optimized systems for techno-economic analysis. Building on these outputs, NLR applied the GEOPHIRES techno-economic simulator to estimate the levelized cost of electricity for both the Eavor multilateral and enhanced geothermal systems. The sensitivity analysis showed that drilling costs exert a particularly strong impact on the levelized cost of electricity of multilateral systems. Therefore, advances in drilling technology and improved drilling rates could yield significant gains in the economic performance of these systems. In this context, the GLADE project directly supports the U.S. Department of Energy's mission to reduce the cost of geothermal energy and accelerate the deployment of next-generation geothermal technologies.

15 GEOTHERMAL ENERGY↗

Minimum Detectable Intakes and Doses for Uranium Bioassays—Comparison between Alpha Spectrometry and ICP-MS

Naturally occurring uranium complicates monitoring for occupational exposures. There are several retroactive methods that can be used to monitor for occupational exposures, with benefits and drawbacks to each. Analysis of uranium in urine by mass spectrometry and alpha spectrometry is compared, and methods of determining an occupational exposure are presented. Furthermore, the minimum detectable concentrations from each analysis and a method for intake determination based on the analytical results are compared for various solubility types and mixtures. Mass spectrometry with radiochemical separation was found to be the most sensitive analysis for detecting occupational exposures to anthropogenic mixtures based on minimum detectable doses calculated from the proposed method for intake determination.

bioassay↗

A Novel Continuous Ultrasound-Assisted Leaching Process for Rare Earth Element Extraction: Environmental and Economic Assessment

Rare earth elements (REEs) make up integral components in personal electronics, healthcare instrumentation, and modern energy technologies. REE leaching with organic acids is an environmentally friendly alternative to traditional extraction methods. Our previous study demonstrated that batch ultrasound-assisted organic acid leaching of REEs can significantly decrease environmental impacts compared to traditional bioleaching. The batch method is limited to small volumes and is unsuitable for industrial implementation. This study proposes a novel approach to increase reaction volume using a continuous ultrasound-assisted organic acid leaching method. Laboratory experiments showed that continuous ultrasound-assisted leaching increased the leaching rate (µg/h) 11.3–24.5 times compared to our previously reported batch method. Techno-economic analysis estimates the cost of the continuous approach using commercially purchased organic acids is $\$$9465/kg of extracted REEs and $\$$4325/kg of extracted REEs, using gluconic acid and citric acid, respectively. The sensitivity analysis reveals that substituting commercially purchased organic acids with microbially produced biolixiviant can reduce the process cost by approximately 99% while minimally increasing energy consumption. Environmental assessment shows that most of the emissions stemmed from the energy required to power the ultrasound reactor. We concluded that increased leaching capacity using a continuous ultrasound-assisted approach is feasible, but process modifications are needed to reduce the environmental impact.

54 - ENVIRONMENTAL SCIENCES/GLOBAL CLIMATE CHANGE ↗

International fuel performance study of fresh fuel experiments for PCMI effects during RIA experiments

This paper presents the results of High-burnup Experiments for Reactivity-initiated Accident (HERA) Modeling & Simulation (M&S) exercise. The HERA project under the Nuclear Energy Agency (NEA) Second Framework for Irradiation Experiments (FIDES-II) program is focused on studying Light Water Reactor (LWR) fuel behavior during Reactivity-Initiated Accident (RIA) conditions. The Part I M&S cases are based on a series of tests in the Transient Reactor Test (TREAT) facility in the United States and the Nuclear Safety Research Reactor (NSRR) in Japan. The purpose of this work is to evaluate the test design to accomplish its goals in establishing clearer understanding of the effects of power pulse width during RIA conditions. Further, the blind predictions using various computational tools have been performed and compared amongst to interpret the behaviors of high burnup fuels during RIA. While many international participants evaluate the thermal–mechanical behavior of fuel rod under different conditions, a considerable scatter of outputs comes out for the cases due to the disparity between codes in predicting mechanical behaviors. In general, however, the results of thermal–mechanical analysis elaborate that nominal design conditions the shorter pulse width tests in NSRR should cause cladding failures while the TREAT tests appear to have more split prediction of failure or not. Furthermore, the sensitivity analysis varying key testing parameters reveals the considerable effect of power pulse width and total energy deposition on prediction of fuel rod failure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Deep learning model for fast, science-based forecasting of fluid migration along faults in geologic carbon storage scenarios

Effective long-term geologic storage depends on robust site selection and credible, science-based forecasting of subsurface behavior to ensure storage integrity. For this work, we develop a deep learning–based reduced-order model (ROM) to quantify potential carbon dioxide (CO₂) and brine migration through geological faults. The ROM combines a Transformer model for binary classification and a Stacked Ensemble for regression, trained on a comprehensive dataset generated from 1400 physics-based reservoir simulations. Key geologic and operational parameters—including fault geometry, reservoir structure, and injection conditions—were systematically varied to capture a wide range of fluid migration scenarios. The ROM accurately predicts the onset of migration, cumulative migration volumes of both CO₂ and brine, and associated migration rates, as compared to an independent set of validation simulations, while significantly reducing computational cost compared to traditional simulation methods. Model performance was evaluated across diverse fault configurations, revealing that shallow reservoir geometry and fault angle are among the most influential factors governing migration behavior. Sensitivity analysis using SHapley Additive exPlanations (SHAP) provided interpretability, revealing distinct patterns in how geological and operational features drive transient versus cumulative migration outcomes. The ROM’s ability to rapidly simulate fault migration scenarios enables efficient sensitivity analyses, scenario evaluations, and decision support for site selection and monitoring design. This approach enhances the safety, scalability, and long-term operational performance of geologic carbon storage (GCS) systems by providing a robust, interpretable tool for predicting subsurface fluid migration and assessing fault-related migration potential.

42 ENGINEERING↗

Transitory sensitivity in automatic chemical kinetic mechanism analysis

Abstract Detailed chemical kinetic mechanisms are necessary for resolving many important chemical processes. As the chemistry of smaller molecules has become better grounded and quantum chemistry calculations have become cheaper, kineticists have become interested in constructing progressively larger kinetic mechanisms to model increasingly complex chemical processes. These large kinetic mechanisms prove incredibly difficult to refine and time‐consuming to interpret. Traditional sensitivity analysis on a large mechanism can range from inconvenient to practically impossible without special techniques to reduce the computational cost. We first present a new time‐local sensitivity analysis we term transitory sensitivity analysis. Transitory sensitivity analysis is demonstrated in an example to accurately identify traditionally sensitive reactions at an 18,000x speed up over traditional sensitivities. By fusing transitory sensitivity analysis with more traditional time‐local branching, pathway, and cluster analyses, we develop an algorithm for efficient automatic mechanism analysis. This automatic mechanism analysis at a time point is able to identify the reactions a target is most sensitive to using transitory sensitivity analysis and then propose hypotheses why the reaction might be sensitive using branching, pathway, and cluster analyses. We implement these algorithms within the reaction mechanism simulator (RMS) package, which enables us to report the automatic mechanism analysis results in highly readable text formats and in molecular flux diagrams.

Johnson, Matthew S.↗

Dual-loop Solvent-based CCS for Net Negative CO 2 Emissions with Lower Cost

This final technical report details the successful design, construction, and operational validation of an innovative dual-loop CO 2 capture technology designed to achieve deep decarbonization (>99%) from Natural Gas Combined Cycle (NGCC) power plants that results in the electricity with carbon intensity of approximate 42 kg CO 2 -eq/MWh, less than the electricity produced by solar PV. The integrated process couples a primary aqueous solvent (in this project, a water lean solvent – WLS) absorption loop for bulk CO 2 removal with a secondary potassium hydroxide (KOH) polishing loop featuring electrochemical regeneration. This architecture leverages the higher exergy efficiency of the primary loop while utilizing the fastest kinetic of the secondary loop to capture dilute residual CO 2 , achieving an overall capture rate of 99.9% and co-producing pure hydrogen after moisture being condensed and dehydrated. Technical feasibility was established through a comprehensive 2,000-hour experimental campaign on a bench-scale fully-integrated unit (using 4” absorber and 4” stripper) with the feeding flue gas flowrate in the range of 8-20 cfm, confirming the attainment of Technology Readiness Level (TRL) 4. The project executed extensive parametric testing followed by 1,000 hours of continuous steady-state testing, demonstrating exceptional process stability with the electrochemical regenerator exhibiting less than a 10% reduction in electrical conductivity over the duration of the campaign. Operational characterization gathering on the bench unit revealed distinct energy profiles for the hybrid system: the primary loop required approximately 280 kJ mol -1 for bulk removal, while the polishing loop required approximately 1,600 kJ mol -1 specifically when reducing dilute CO 2 concentrations from ~740 ppm down to <50 ppm. (Please note those energy values/numbers can only be viewed as relative relationship and should not be extrapolated as absolute values required for CO 2 capture). Furthermore, dynamic testing validated the system’s flexibility for utility applications, demonstrating a rapid process response time of <30 minutes to changes in flue gas flowrate. Emission monitoring confirmed that the dual-loop architecture effectively mitigates solvent losses, utilizing a water wash to remove entrained aerosols to <1 ppm. The Techno-Economic Analysis (TEA) indicates a cost of capture of $\$$59.3/tonne and a Levelized Cost of Electricity (LCOE) of 71.7 $\$$/MWh at the overall capture efficiency of 99.8% of total carbon in the flue gas stream, with sensitivity analysis identifying an economic optimum when the primary loop captures 97% of the total CO 2 . A Life Cycle Assessment (LCA) confirms the technology’s potential for net-negative emissions, determining a Global Warming Potential (GWP) of 52 kg CO 2 -eq/MWh—significantly lower than the baseline—which further decreases to 42 kg CO 2 -eq/MWh when crediting the displacement of conventional hydrogen production.

03 NATURAL GAS↗

Optimal design of power constrained bipolar membrane electrodialysis over a wide brine range

Bipolar membrane electrodialysis enables the in-situ production of high value products (e.g., acid and base) from clean brine, which is essential for a sustainable future. A technoeconomic assessment (TEA) was conducted on extraction of value from brine using the WaterTAP framework to identify optimal cost across a wide design space. Here, in the power constrained regime, increasing supplied salt concentration does not necessarily result in reduced cost or increased NaOH concentration. A detailed analysis elucidates the critical roles of water dissociation, limiting currents, and sodium diffusion play in shaping the landscape of levelized cost. Among these, water splitting predominantly influences the TEA outcomes across most of the optimal design space. Sensitivity analysis further demonstrates that membrane properties controlling water dissociation significantly impact the unit cost. The results indicate that innovations targeting improvements in water disassociation should be prioritised to effectively reduce the levelized cost of product production.

Bipolar membrane electrodialysis↗

Technoeconomic Analysis of a Direct Air Capture System Utilizing a Looped CaCO3/Ca(OH)2 Process

This presentation reports preliminary results from a screening level techno-economic analysis of a looped CaCO3/Ca(OH)2 direct air capture process. Preliminary results reveal that the looped CaCO3/Ca(OH)2 process may be cost competitive with solvent- and sorbent-based DAC technologies. Results from a detailed sensitivity analysis revealing multiple avenues for system optimization and cost reduction are presented.

Homsy, Sally↗

Measurement of Stark-split beam and carbon charge exchange emissions for simultaneous B-field and temperature/rotation analysis at DIII-D

A set of two newly designed, single-channel Czerny–Turner spectrometers has been deployed at the DIII-D tokamak for measurements of the motional Stark effect (MSE) split beam emission and the C6+ (CVI) carbon charge exchange recombination (CER) emission at high spectral (δλ = 0.13 nm) and temporal (1–5 kHz) resolution. High throughput optics (f/# = 2.8) allow for good signal-to-noise at high time resolution using fast EMCCD detectors. The MSE emission allows for spectral fitting of the magnitude and direction of the local B-field, while the carbon emission yields local ion temperature and toroidal rotation information. To reduce so-called Doppler broadening of the MSE emission, a new channel-specific variable lens-masking approach has been developed. Experimental data collected from the 2023 DIII-D experimental campaign demonstrate the signal quality and instrument fidelity for both diagnostic measurements. Moreover, initial CER data analysis shows a clear evolution of the toroidal rotation during edge localized modes. Initial progress on the advanced MSE model, including a new validated ray-trace model of the DIII-D collection optics, is shown via sensitivity analysis.

Instruments & Instrumentation↗

RAVEN Template for Dynamic Representativity Analysis of the High Temperature Test Facility

These slides present a walkthrough of the template that has been developed for using RAVEN to perform representativity analysis using models of the High Temperature Test Facility and the General Atomics Modular High Temperature Gas-cooled Reactor. The presentation provides participants in the HTTF benchmark with a walkthrough on how to use RAVEN for their sensitivity analysis and how to read results from the MHTGR-350 to perform representativity

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Liquid Crystal Orientation and Shape Optimization for the Active Response of Liquid Crystal Elastomers

Liquid crystal elastomers (LCEs) are responsive materials that can undergo large reversible deformations upon exposure to external stimuli, such as electrical and thermal fields. Controlling the alignment of their liquid crystals mesogens to achieve desired shape changes unlocks a new design paradigm that is unavailable when using traditional materials. While experimental measurements can provide valuable insights into their behavior, computational analysis is essential to exploit their full potential. Accurate simulation is not, however, the end goal; rather, it is the means to achieve their optimal design. Such design optimization problems are best solved with algorithms that require gradients, i.e., sensitivities, of the cost and constraint functions with respect to the design parameters, to efficiently traverse the design space. In this work, a nonlinear LCE model and adjoint sensitivity analysis are implemented in a scalable and flexible finite element-based open source framework and integrated into a gradient-based design optimization tool. To display the versatility of the computational framework, LCE design problems that optimize both the material, i.e., liquid crystal orientation, and structural shape to reach a target actuated shapes or maximize energy absorption are solved. Multiple parameterizations, customized to address fabrication limitations, are investigated in both 2D and 3D. The case studies are followed by a discussion on the simulation and design optimization hurdles, as well as potential avenues for improving the robustness of similar computational frameworks for applications of interest.

42 ENGINEERING↗