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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 937 records · Page 52

Constraints on the Lithological Variation near the Surface of the HED Planetoid from the Petrology of 91 & 92 Series Antarctic Achondrites

The petrography of a suite of meteorite sections: PCA91006,14; PCA91078,9; PCA91083,6; PCA91159,4; PCA91179,9; PCA91245,9; EET92003,14; EET92004,12; EET92015,4; EET92022,7; EET92026,4; and EET92027,5 is used as an initial sample of the lithological variation on the surface of the HED planetoid (presumably asteroid 4 Vesta). These samples will be combined with much larger arrays of petrographic data for the many Antarctic basaltic achondrites to provide a random sample of the surface of the body. The full variety of the lithologies existing on the parent body is only accessible when the polymict achondrites are considered. The polymict samples contain lithologies that sample multiple provenances as well as those not seen as monolithologic meteorites like eucrites and diogenites. Comparison of lithological variation within individual meteorites provides a subset of variations at the site of last impact. In aggregate, the variations within the achondrites now available may be close to a random sample of the parent body. In combination of microanalytical and imaging techniques now available permit a mass balanced assessment of the distribution and abundance of lithologies to be made. These initial results provide a description of methodology to be tested. All samples were studied and photographed on a polarizing microscope to provide location information. Major mineral phases and randomly selected points (on lines and grids) were analyzed in each thin section. In addition backscattered electron and X-ray imaging of clasts and sections provide the basis for high precision modal analyses of the abundance and distribution of both lithic and mineral clasts. These data provide objective, area based comparisons with other Antarctic samples.

Bjonnes, Emily E.↗

The Research Plan: Closing the ExMC Med02 "Pharmacy" Gap

HRP Human Research Roadmap: Risk and Gap Risk of Adverse Health Outcomes and Decrements in Performance due to Inflight Medical Conditions. Med02 "Pharmacy" Gap: We do not have the capability to provide a safe and effective medication formulary for exploration missions delivering a recommendation for a chemically stable, safe, and effective medication formulary that will support the operational needs of exploration space missions research strategy evidence-based formulary and models innovative analytical tools and methodologies novel treatments and preventive measures Planned review by a panel of experts from the pharmaceutical industry, regulatory, and academic scientific communities Formulary Selection Formulary Potency and Shelf life Formulary Safety and Toxicity Novel Technology Proof-of-Concept Portable real-time chemical analysis Innovative drug development / design

Daniels, Vernie↗

Adaptation and risk management

Adaptation assessment methods are compatible with the international risk management standard ISO:31000. Risk management approaches are increasingly being recommended for adaptation assessments at both national and local levels. Two orientations to assessments can commonly be identified: top-down and bottom-up, and prescriptive and diagnostic. Combinations of these orientations favor different types of assessments. The choice of orientation can be related to uncertainties in prediction and taking action, in the type of adaptation and in the degree of system stress. Adopting multiple viewpoints is to be encouraged, especially in complex situations. The bulk of current guidance material is consistent with top-down and predictive approaches, thus is most suitable for risk scoping and identification. Abroad range ofmaterial fromwithin and beyond the climate change literature can be used to select methods to be used in assessing and implementing adaptation. The framing of risk, correct formulation of the questions being investigated and assessment methodology are critical aspects of the scoping phase. Only when these issues have been addressed should be issue of specific methods and tools be addressed. The reorientation of adaptation from an assessment focused solely on anthropogenic climate change to broader issues of vulnerability/resilience, sustainable development and disaster risk, especially through a risk management framework, can draw from existing policy and management understanding in communities, professions and agencies, incorporating existing agendas, knowledge, risks, and issues they already face.

99 GENERAL AND MISCELLANEOUS↗

ILLICIT TRANSIT INTERDICTION GLOBAL ANALYSIS

This study aims to enhance the security of radioactive materials during transport by analyzing commonalities in cargo thefts conducted by non-state groups such as thieves and terrorists. This research focuses on identifying patterns and trends in the methods used to steal high-value cargo, with the goal of applying these insights to improve transport security of radioactive materials. Key questions addressed include the frequency of specific tools, techniques, and insider involvement in thefts, as well as the use of weapons, electronic jamming equipment, and specialized tools. Findings will inform security design improvements and industry practices to mitigate vulnerabilities. The study involves a comprehensive review of literature and case studies, utilizing data sources from 2018 to 2023. Articles will be selected based on their relevance to thefts of valuable cargo in transit, with a focus on incidents involving non-state actors. The methodology will include statistical and inferential analysis to identify trends, with results visualized through pie charts, frequency analyses, and terrain maps. The discussion will highlight the implications of findings and provide actionable recommendations for strengthening security measures. Limitations such as data availability and reporting inconsistencies will be acknowledged. Suggestions for future improvements will be constructed using existing case studies and expert feedback. The study’s outcomes aim to raise awareness within the industry, inform policy decisions, and enhance security protocols for radioactive material transport. Metrics for impact include the potential publication of findings, presentations at conferences to raise awareness, and the subsequent actions taken by stakeholders based on the research. By identifying trends and vulnerabilities and suggesting improvements, this research contributes to preventing the illicit use of nuclear and radiological materials.

Zineddin, Dr. Z. [ORNL] (ORCID:0009000848740725)↗

Indexing NASA programs for technology transfer methods development and feasibility

This project was undertaken to evaluate the application of a previously developed indexing methodology to ongoing NASA programs. These programs are comprehended by the NASA Program Approval Documents (PADS). Each PAD contains a technical plan for the area it covers. It was proposed that these could be used to generate an index to the complete NASA program. To test this hypothesis two PADS were selected by the NASA Technology Utilization Office for trial indexing. Twenty-five individuals indexed the two PADS using NASA Thesaurus terms. The results demonstrated the feasibility of indexing ongoing NASA programs using PADS as the source of information. The same indexing methodology could be applied to other documents containing a brief description of the technical plan. Results of this project showed that over 85% of the concepts in the technology should be covered by the indexing. Also over 85% of the descriptors chosen would be accurate. This completeness and accuracy for the indexing is considered satisfactory for application in technology transfer.

Clingman, W. H.↗

Optimization of the propulsion cycles for advanced shuttles. II - Performance model methodology

In 1988 computer codes from NASA and DLR were combined to analyze and optimize rocket engines for advance launch vehicles. Further effort has addressed performance propulsion parameters such as chamber pressure, cycle selection (including mixed and tripropellant cycles), nozzle extension, and new technologies. Results of the study indicate that lower dry masses can be reached with the staged combustion cycle than with the gas-generator cycle, using oxygen/hydrogen at relatively high mixture ratio (7:1) and modest chamber pressure (220 bar). For low dry masses the staged combustion cycle is only excelled by the dual-expander cycle using hydrogen and propane as fuels. The emphasis here is to explain the procedure and boundary conditions used for the analysis and the variety of configurations treated, as well as to demonstrate the methods used by presenting some of the major results.

Manski, Detlef↗

Optimizing Hammermill Performance Through Screen Selection and Hammer Design

Background: Mechanical preprocessing, which includes particle size reduction and mechanical separation, is one of the primary operations in the feedstock supply system for a lignocellulosic biorefinery. It is the means by which raw biomass from the field or forest is mechanically transformed into an on-spec feedstock with characteristics better suited for the fuel conversion process. Results: This work provides a general overview of the objectives and methodologies of mechanical preprocessing and then presents experimental results illustrating (1) improved size reduction via optimization of hammer mill configuration, (2) improved size reduction via pneumatic-assisted hammer milling, and (3) improved control of particle size and particle size distribution through proper selection of grinder process parameters. Conclusion: Optimal grinder configuration for maximal process throughput and efficiency is strongly dependent on feedstock type and properties, such moisture content. Tests conducted using a HG200 hammer grinder indicate that increasing the tip speed, optimizing hammer geometry, and adding pneumatic assist can increase grinder throughput as much as 400%.

09 BIOMASS FUELS↗

A Novel Active Optimization Approach for Rapid and Efficient Design Space Exploration Using Ensemble Machine Learning

In this work, a novel design optimization technique based on active learning, which involves dynamic exploration and exploitation of the design space of interest using an ensemble of machine learning algorithms, is presented. In this approach, a hybrid methodology incorporating an explorative weak learner (regularized basis function model) that fits high-level information about the response surface and an exploitative strong learner (based on committee machine) that fits finer details around promising regions identified by the weak learner is employed. For each design iteration, an aristocratic approach is used to select a set of nominees, where points that meet a threshold merit value as predicted by the weak learner are selected for evaluation. In addition to these points, the global optimum as predicted by the strong learner is also evaluated to enable rapid convergence to the actual global optimum once the most promising region has been identified by the optimizer. Additionally, this methodology is first tested by applying it to the optimization of a two-dimensional multi-modal surface and, subsequently, to a complex internal combustion (IC) engine combustion optimization case with nine control parameters related to fuel injection, initial thermodynamic conditions, and in-cylinder flow. It is found that the new approach significantly lowers the number of function evaluations that are needed to reach the optimum design configuration (by up to 80%) when compared to conventional optimization techniques, such as particle swarm and genetic algorithm-based optimization techniques.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: Local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections

The limit of accuracy for semi-empirical generalized gradient approximation (GGA) density functionals is explored by parameterizing a variety of local, global hybrid, and range-separated hybrid functionals. The training methodology employed differs from conventional approaches in 2 main ways: (1) Instead of uniformly truncating the exchange, same-spin correlation, and opposite-spin correlation functional inhomogeneity correction factors, all possible fits up to fourth order are considered, and (2) Instead of selecting the optimal functionals based solely on their training set performance, the fits are validated on an independent test set and ranked based on their overall performance on the training and test sets. The 3 different methods of accounting for exchange are trained both with and without dispersion corrections (DFT-D2 and VV10), resulting in a total of 491 508 candidate functionals. For each of the 9 functional classes considered, the results illustrate the trade-off between improved training set performance and diminished transferability. Since all 491 508 functionals are uniformly trained and tested, this methodology allows the relative strengths of each type of functional to be consistently compared and contrasted. The range-separated hybrid GGA functional paired with the VV10 nonlocal correlation functional emerges as the most accurate form for the present training and test sets, which span thermochemical energy differences, reaction barriers, and intermolecular interactions involving lighter main group elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effective detection of CO 2 leakage: a comparison of groundwater sampling and pressure monitoring

Shallow aquifer monitoring is likely to be a required aspect to any geologic CO 2 sequestration operation. Collecting groundwater samples and analyzing for geochemical parameters such as pH, alkalinity, total dissolved carbon, and trace metals has been suggested by a number of authors as a possible strategy to detect CO 2 leakage. The effectiveness of this approach, however, will depend on the hydrodynamics of the leak-induced CO 2 plume and the spatial distribution of the monitoring wells relative to the origin of the leak. To our knowledge, the expected effectiveness of groundwater sampling to detect CO 2 leakage has not yet been quantitatively assessed. In this study we query hundreds of simulations developed for the National Risk Assessment Project (US DOE) to estimate risks to drinking water resources associated with CO 2 leaks. The ensemble of simulations represent transient, 3-D multi-phase reactive transport of CO 2 and brine leaked from a sequestration reservoir, via a leaky wellbore, into an unconfined aquifer. Key characteristics of the aquifer, including thickness, mean permeability, background hydraulic gradient, and geostatistical measures of aquifer heterogeneity, were all considered uncertain parameters. Complex temporally-varying CO 2 and brine leak rate scenarios were simulated using a heuristic scheme with ten uncertain parameters. The simulations collectively predict the spatial and temporal evolution of CO 2 and brine plumes over 200 years in a shallow aquifer under a wide range of leakage scenarios and aquifer characteristics. Using spatial data from an existing network of shallow drinking water wells in the Edwards Aquifer, TX, as one illustrative example, we calculated the likelihood of leakage detection by groundwater sampling. In this monitoring example, there are 128 wells available for sampling, with a density of about 2.6 wells per square kilometer. If the location of the leak is unknown a priori, a reasonable assumption in many cases, we found that the leak would be detected in at least one of the monitoring wells in less than 10% of the scenarios considered. This is because plume sizes are relatively small, and so the probability of detection decreases rapidly with distance from the leakage point. For example, 400m away from the leakage point there is less than 20% chance of detection. We then compared the effectiveness of groundwater quality sampling to shallow aquifer and/or reservoir pressure monitoring. For the Edwards Aquifer example, pressure monitoring in the same monitoring well network was found to be even less effective that groundwater quality monitoring. This is presumably due to the unconfined conditions and relatively high permeability, so pressure perturbations quickly dissipate. Although specific results may differ from site to site, this type of analysis should be useful to site operators and regulators when selecting leak detection strategies. Given the spatial characteristics of a proposed monitoring well network, probabilities of leakage detection can be rapidly calculated using this methodology. Although conditions such as these may not be favorable for leakage detection in shallow aquifers, leakage detection could be much more successful in the injection reservoir. We demonstrate proof-of-concept for this hypothesis, presenting a simulation where there is measurable pressure change at the injection well due to overpressurization, fault rupture, and consequent leakage up the fault into intermediate and shallow aquifers. The size of the detectible pressure change footprint is much larger in the reservoir than in either of the overlying aquifers. Further exploration of the range of conditions for which this technique would be successful is the topic of current study.

54 ENVIRONMENTAL SCIENCES↗

(CAAC)CuX-catalyzed hydroboration of terminal alkynes with pinacolborane directed by the X-ligand

We report when X is a basic ligand (CAAC)CuX complexes [CAAC = cyclic (alkyl) (amino)carbene] selectively promote the (E)-β-hydroboration of terminal alkynes with pinacolborane instead of the dehydrogenative borylation observed with weakly nucleophilic X ligand. This methodology is applicable to a variety of terminal alkynes. Deuterium labeling experiments coupled with stoichiometric reactions give evidence towards a plausible mechanism involving a σ-mono (copper)acetylide complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of ANN (MLP), ANFIS, SVM, and RF models for the online classification of heating value of burning municipal solid waste in circulating fluidized bed incinerators

Highlights: • A rapid, cost-effective, and comparative methodology was proposed to evaluate the HVs of burning MSW online. • Models ranked in descending order of performance are ANFIS, RF, SVM, MLP. • A well trained model is capable of characterizing the variation trend of HVs accurately. - Abstract: The heating values, particularly lower heating values of burning municipal solid waste are critically important parameters in operating circulating fluidized bed incineration systems. However, the heating values change widely and frequently, while there is no reliable real-time instrument to measure heating values in the process of incinerating municipal solid waste. A rapid, cost-effective, and comparative methodology was proposed to evaluate the heating values of burning MSW online based on prior knowledge, expert experience, and data-mining techniques. First, selecting the input variables of the model by analyzing the operational mechanism of circulating fluidized bed incinerators, and the corresponding heating value was classified into one of nine fuzzy expressions according to expert advice. Development of prediction models by employing four different nonlinear models was undertaken, including a multilayer perceptron neural network, a support vector machine, an adaptive neuro-fuzzy inference system, and a random forest; a series of optimization schemes were implemented simultaneously in order to improve the performance of each model. Finally, a comprehensive comparison study was carried out to evaluate the performance of the models. Results indicate that the adaptive neuro-fuzzy inference system model outperforms the other three models, with the random forest model performing second-best, and the multilayer perceptron model performing at the worst level. A model with sufficient accuracy would contribute adequately to the control of circulating fluidized bed incinerator operation and provide reliable heating value signals for an automatic combustion control system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Subgrid modelling for two-dimensional turbulence using neural networks

Here in this investigation, a data-driven turbulence closure framework is introduced and deployed for the subgrid modelling of Kraichnan turbulence. The novelty of the proposed method lies in the fact that snapshots from high-fidelity numerical data are used to inform artificial neural networks for predicting the turbulence source term through localized grid-resolved information. In particular, our proposed methodology successfully establishes a map between inputs given by stencils of the vorticity and the streamfunction along with information from two well-known eddy-viscosity kernels. Through this we predict the subgrid vorticity forcing in a temporally and spatially dynamic fashion. Our study is both a priori and a posteriori in nature. In the former, we present an extensive hyper-parameter optimization analysis in addition to learning quantification through probability-density-function-based validation of subgrid predictions. In the latter, we analyse the performance of our framework for flow evolution in a classical decaying two-dimensional turbulence test case in the presence of errors related to temporal and spatial discretization. Statistical assessments in the form of angle-averaged kinetic energy spectra demonstrate the promise of the proposed methodology for subgrid quantity inference. In addition, it is also observed that some measure of a posteriori error must be considered during optimal model selection for greater accuracy. The results in this article thus represent a promising development in the formalization of a framework for generation of heuristic-free turbulence closures from data.

42 ENGINEERING↗

Coherence Spectroscopy in the Condensed Phase: Insights into Molecular Structure, Environment, and Interactions

The role of coherences, or coherently excited superposition states, in complex condensed-phase systems has been the topic of intense interest and debate for a number of years. In many cases, coherences have been utilized as spectators of ultrafast dynamics or for identifying couplings between electronic states. In rare cases, they have been found to drive excited state dynamics directly. Interestingly though, the utilization of coherences as a tool for high-detail vibronic spectroscopy has largely been overlooked until recently, despite their encoding of key information regarding molecular structure, electronically sensitive vibrational modes, and intermolecular interactions. Furthermore, their detection in the time domain makes for a highly comprehensive spectroscopic technique wherein the phase and dephasing times are extracted in addition to amplitude and intensity, an element not afforded in analogous frequency domain “steady-state” measurements. However, practical limitations arise in disentangling the large number of coherent signals typically accessed in broadband nonlinear spectroscopic experiments, often complicating assignment of the origin and type of coherences generated. Two-dimensional electronic spectroscopy (2DES) affords an avenue by which to disperse and decompose the large number of coherent signals generated in nonlinear experiments, facilitating the assignment of various types of quantum coherences. 2DES takes advantage of the broad bandwidth necessary for achieving the high time resolution desired for ultrafast dynamics and coherence generation by resolving the excitation axis to detect all excitation channels independently. This feature is beneficial for following population dynamics such as electronic energy transfer, and 2DES has become the choice method for such studies. Simultaneously, coherences arise as oscillations at well-defined coordinates across the 2D map often atop those evolving population signals. By isolating the coherent contribution to the 2DES data and Fourier transforming along the population time, a 3D spectral representation of the coherent 2D data is generated, and coherences are then ordered by their oscillation frequency, ν2. Individual coherences can then be selected by their frequency and evaluated via their distinct “2D coherence” spectra, yielding a significantly more distinctive set of spectroscopic signatures over other 1D methodologies and single-point 2DES analysis. Given that coherences of different origin result in unique 2D coherence spectra, these characteristics can be catalogued and compared directly against experiment for prompt assignment, a strategy not afforded by traditional 2DES analysis. In this Account, a structure-driven time-independent spectral model is discussed and employed to compare the 2D fingerprints of various coherences to experimental 2D coherence spectra. The frequency-domain approach can easily integrate ab initio derived vibronic parameters, and its correspondence with experimental coherence spectra of a model compound is demonstrated. Several examples and applications are discussed herein, from 2D Franck–Condon analysis of a model compound, to identifying the signatures of interpigment vibronic coupling in a photosynthetic light-harvesting complex. The 3D spectral approach to 2DES provides remarkable spectroscopic detail, in turn leading to new insights in molecular structure and interactions, which complement the time-resolved dynamics simultaneously recorded. The approach presented herein has the potential to distill down the convoluted set of nonlinear signals appearing in 2D coherent spectra, making the technique more amenable to high-detail vibronic spectroscopy in inherently complex condensed phase systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Model-based data center cooling controls comparative co-design

This article presents a comparative simulation-based control logic design process. It uses the Control Description Language (CDL) and the ASHRAE Guideline 36 high-performing building control sequences with the Modelica Buildings Library (MBL) to demonstrate a comparative analysis of two control designs for a data center chilled water plant. Details include a description of the closed-loop plant and control design methodology, including sizing and parameterization, base and alternative (Guideline 36) control logic with software implementation structure, and outline of the simulation experimentation process. The selected control designs are paired with comparable chilled water plant configurations. The models include a chiller, a water-side economizer, and an evaporative cooling tower. The plant provides cooling at 27ºC zone supply air temperature to a data center in Sacramento, CA. The comparative simulation results examined the impacts of a selected control logic detail, and present an example model-based design application. Overall, the simulation results showed a 25% annual and a 18% summer energy use reduction for alternative controls. This shows that simulation-based control logic design performance evaluation can improve energy efficiency and resilience aspects of system controls at large.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Partially averaged Navier-Stokes closure modeling for variable-density turbulent flow

We report this work extends the framework of the partially averaged Navier-Stokes (PANS) equations to variable-density flow, i.e., multimaterial and/or compressible mixing problems with density variations and production of turbulence kinetic energy by both shear and buoyancy mechanisms. The proposed methodology is utilized to derive the PANS BHR-LEVM closure. This includes a priori testing to analyze and develop guidelines toward the efficient selection of the parameters controlling the physical resolution and, consequently, the range of resolved scales of PANS. Two archetypal test-cases involving transient turbulence, hydrodynamic instabilities, and coherent structures are used to illustrate the accuracy and potential of the method: the Taylor-Green vortex at Reynolds number Re = 3000, and the Rayleigh-Taylor flow at Atwood number 0.5 and (Re) max ≈ 500. These representative problems, for which turbulence is generated by shear and buoyancy processes, constitute the initial validation space of the new model, and their results are comprehensively discussed in two subsequent studies. The computations indicate that PANS can accurately predict the selected flow problems, resolving only a fraction of the scales of large-eddy simulation and direct numerical simulation strategies. The results also reiterate that the physical resolution of the PANS model must guarantee that the key instabilities and coherent structures of the flow are resolved. The remaining scales can be modeled through an adequate turbulence scale-dependent closure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SAM Code Development for Transient Safety Analyses of Fluoride-salt-cooled High-temperature Reactors

The System Analysis Module (SAM) is under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. The molten-salt-cooled pebble-bed reactor, or pebble-bed FHR (PB-FHR) is a promising candidate among advanced nuclear reactor concepts with its improved passive safety characteristics and high thermal efficiency. To support the development and utilization of the SAM code for PB-FHR safety analysis, activities on SAM code enhancements, reference plant model developments, and code validations have been performed in the past a few years to support near-term industry and NRC needs. This report summarizes recent progress under DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program in SAM code development and demonstration for transient safety analysis of Fluoride-salt-cooled High-temperature Reactors. SAM capabilities has been significantly enhanced over the years to add FHR specific modeling features, including salt freezing and thawing, spherical core channel and pebble bed core modeling, solid-fluid thermal radiation, tritium transport and general species transport in fluids and solids, and the general code enhancements on solver schemes of point kinetics module and reactivity feedback models. A reference PB-FHR model is developed, based on publicly available information from Kairos Power’s generic FHR design and the University of California, Berkeley (UCB) Mk1 design. A reference reactor model is foundational to the methodologies employed by NRC to verify the adequacy of computer codes and evaluation models. The reference FHR model was utilized for a number of selected FHR design basis accidents, including station blackout, loss of heat sink, loss of flow, transient overpower, and overcooling events.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗