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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 739 records · Page 41

Origin of noble gases in the terrestrial planets

Current models of the origin of noble gases in the terrestrial planets are reviewed. Primary solar system volatile sources and processes are examined along with the current data base on noble gases and its applications to evolutionary processing. Models of atmospheric evolution by hydrodynamic escape are addressed.

Pepin, Robert O.↗

Session on modeling of radiative transfer processes

The session on modeling of radiative transfer processes is reviewed. Six critical issues surfaced in the discussion concerning scale-interactive radiative processes relevent to the mesoscale convective systems (MCS's). These issues are the need to expand basic knowledge of how MCS's influence climate through extensive cloud shields and increased humidity in the upper troposphere; to improve radiation parameterizations used in mesoscale and General Circulation Model (GCM) models; to improve our basic understanding of the influence of radiation on MCS dynamics due to diabatic heating, production of condensate, and vertical and horizontal heat fluxes; to quantify our understanding of radiative impacts of MCS's on the surface and free atmosphere energy budgets; to quantify and identify radiative and microphysical processes important in the evolution of MCS's; and to improve the capability to remotely sense MCS radiative properties from space and ground-based systems.

Flatau, Piotr↗

Accurate and uncertainty-aware multi-task prediction of HEA properties using prior-guided deep Gaussian processes

Surrogate modeling techniques have become indispensable in accelerating the discovery and optimization of high-entropy alloys (HEAs), especially when integrating computational predictions with sparse experimental observations. This study systematically evaluates the training and testing performance of four prominent surrogate models—conventional Gaussian processes (cGP), Deep Gaussian processes (DGP), encoder-decoder neural networks for multi-output regression and eXtreme Gradient Boosting (XGBoost)—applied to a hybrid dataset of experimental and computational properties of the 8-component HEA system Al-Co-Cr-Cu-Fe-Mn-Ni-V. We specifically assess their capabilities in predicting correlated material properties, including yield strength, hardness, modulus, ultimate tensile strength, elongation, and average hardness under dynamic/quasi-static conditions, alongside auxiliary computational properties. The comparison highlights the strengths of hierarchical deep modeling approaches in handling heteroscedastic, heterotopic, and incomplete data commonly encountered in materials science. Our findings illustrate that combined surrogate models such as DGPs infused with machine-learned priors outperform other surrogates by effectively capturing inter-property correlations and by assimilating prior knowledge. This enhanced predictive accuracy positions the combined surrogate models as powerful tools for robust and data-efficient materials design.

36 MATERIALS SCIENCE↗

An Ab Initio Molecular Dynamics Study of Key Thermodynamic Input Parameters for Computer Simulation of U-6Nb Solidification

The key to metallic fuel development is the fabrication of uranium metal and alloys into fuel forms. U-Nb alloys are one of the best candidates for a metallic fuel alloy with high-temperature strength sufficient to support the core, acceptable nuclear properties, good fabricability, and compatibility with usable coolant media. Melt processing has been a key component of the metallic fuel cycle, and process models require thermophysical parameters at elevated temperatures, particularly above the melting temperatures, regarding which experimental data are scarce, for accurate simulations and process development. By means of ab initio density-functional theory (DFT) quantum molecular dynamics (QMD), we have calculated the main thermophysical parameters—the density, thermal expansion coefficient, specific heat, thermal conductivity, melting temperature, latent heat of fusion, and viscosity—used in the modeling of the U-6 wt.% Nb alloy casting. The melting temperature of the U-6 wt.% Nb alloy at ambient pressure is obtained by means of QMD simulations using the Z-method. The ambient volume change and latent heat of melting of U-6 wt.% Nb are also derived from QMD simulations in conjunction with analytical fitting for the energy and pressure. The thermal conductivity for the solid U-Nb alloy is calculated from the semi-classical Boltzmann transport equation combined with an estimate of the electron relaxation time obtained from DFT simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Microstructure Validation of Graph Theory Model-Derived Cooling Rates in the Wire Arc Additive Manufacturing of ER70S-6 Steel

Wire arc additive manufacturing (WAAM) enables high-rate fabrication of large metallic components, but spatial variations in thermal history can lead to microstructural heterogeneity that requires efficient process models to evaluate. This study evaluates whether cooling rates extracted from a graph theory model (GTM)-based thermal simulation are consistent with the microstructural evolution observed in an ER70S-6 WAAM wall. Thermal histories from the model were analyzed at selected build heights, and cooling rates were extracted from the final thermal excursion through the austenite phase field. Microstructures at corresponding locations were characterized using electron backscatter diffraction (EBSD) to quantify grain size distributions, and pearlite interlamellar spacing was used as an additional indicator of cooling behavior. The modeled cooling rates were highest near the substrate and generally decreased with build height, consistent with the observed reduction in the fine grain fraction and the progressive shift in the grain size distribution as build height increased. Pearlite spacing trends also supported the modeled cooling rate variation. These results indicate that GTM-derived thermal histories can be post-processed into metallurgically meaningful cooling rate estimates for WAAM steel builds and linked to dataset specific empirical grain size distribution relationships for process–thermal history–microstructure assessment.

36 MATERIALS SCIENCE↗

A guideline to document occupant behavior models for advanced building controls

The availability of computational power, and a wealth of data from sensors have boosted the development of model-based predictive control for smart and effective control of advanced buildings in the last decade. More recently occupant-behavior models have been developed for including people in the building control loops. However, while important objectives of scientific research are reproducibility and replicability of results, not all information is available from published documents. Therefore, the aim of this paper is to propose a guideline for a thorough and standardized occupant-behavior model documentation. For that purpose, the literature screening for the existing occupant behavior models in building control was conducted, and the occupant behavior modeling processes were studied to extract practices and gaps for each of the following phases: problem statement, data collection, and preprocessing, model development, model evaluation, and model implementation. Here, the literature screening pointed out that the current state-of-the-art on model documentation shows little unification, which poses a particular burden for the model application and replication in field studies. In addition to the standardized model documentation, this work presented a model-evaluation schema that enabled benchmarking of different models in field settings as well as the recommendations on how OB models are integrated with the building system.

Building control↗

Intelligent processing of intermetallic composite consolidation

Intermetallic composites based upon titanium aluminide matrices and silicon carbide of aluminum oxide fibers are emerging candidates for future hypersonic vehicle airframes and engines. To tailor the properties of these 'engineered' materials for specific application, to increase process yield, and to reduce costs, 'intelligent processing of materials' (IPM) control strategies are being explored for their processing. Recent progress is evaluated in the development of predictive process models, advanced sensors and control methodologies (the components of the IPM approach) for the critical near net-shape consolidation process step of continuous fiber reinforced intermetallic composite manufacture.

Wadley, H. N. G.↗

Intelligent systems/software engineering methodology - A process to manage cost and risk

A systems development methodology is discussed that has been successfully applied to the construction of a number of intelligent systems. This methodology is a refinement of both evolutionary and spiral development methodologies. It is appropriate for development of intelligent systems. The application of advanced engineering methodology to the development of software products and intelligent systems is an important step toward supporting the transition of AI technology into aerospace applications. A description of the methodology and the process model from which it derives is given. Associated documents and tools are described which are used to manage the development process and record and report the emerging design.

Friedlander, Carl↗

Fault diagnosis for the Space Shuttle main engine

A conceptual design of a model-based fault detection and diagnosis system is developed for the Space Shuttle main engine. The design approach consists of process modeling, residual generation, and fault detection and diagnosis. The engine is modeled using a discrete time, quasilinear state-space representation. Model parameters are determined by identification. Residuals generated from the model are used by a neural network to detect and diagnose engine component faults. Fault diagnosis is accomplished by training the neural network to recognize the pattern of the respective fault signatures. Preliminary results for a failed valve, generated using a full, nonlinear simulation of the engine, are presented. These results indicate that the developed approach can be used for fault detection and diagnosis. The results also show that the developed model is an accurate and reliable predictor of the highly nonlinear and very complex engine.

Duyar, Ahmet↗

Cost Models for MMC Manufacturing Processes

The quality cost modeling (QCM) tool is intended to be a relatively simple-to-use device for obtaining a first-order assessment of the quality-cost relationship for a given process-material combination. The QCM curve is a plot of cost versus quality (an index indicating microstructural quality), which is unique for a given process-material combination. The QCM curve indicates the tradeoff between cost and performance, thus enabling one to evaluate affordability. Additionally, the effect of changes in process design, raw materials, and process conditions on the cost-quality relationship can be evaluated. Such results might indicate the most efficient means to obtain improved quality at reduced cost by process design refinements, the implementation of sensors and models for closed loop process control, or improvement in the properties of raw materials being fed into the process. QCM also allows alternative processes for producing the same or similar material to be compared in terms of their potential for producing competitively priced, high quality material. Aside from demonstrating the usefulness of the QCM concept, this is one of the main foci of the present research program, namely to compare processes for making continuous fiber reinforced, metal matrix composites (MMC's). Two processes, low pressure plasma spray deposition and tape casting are considered for QCM development. This document consists of a detailed look at the design of the QCM approach, followed by discussion of the application of QCM to each of the selected MMC manufacturing processes along with results, comparison of processes, and finally, a summary of findings and recommendations.

Elzey, Dana M.↗

A Simulation Model of Carbon Cycling and Methane Emissions in Amazon Wetlands

An integrative carbon study is investigating the hypothesis that measured fluxes of methane from wetlands in the Amazon region can be predicted accurately using a combination of process modeling of ecosystem carbon cycles and remote sensing of regional floodplain dynamics. A new simulation model has been build using the NASA- CASA concept for predicting methane production and emission fluxes in Amazon river and floodplain ecosystems. Numerous innovations area being made to model Amazon wetland ecosystems, including: (1) prediction of wetland net primary production (NPP) as the source for plant litter decomposition and accumulation of sediment organic matter in two major vegetation classes - flooded forests (varzea or igapo) and floating macrophytes, (2) representation of controls on carbon processing and methane evasion at the diffusive boundary layer, through the lake water column, and in wetland sediments as a function of changes in floodplain water level, (3) inclusion of surface emissions controls on wetland methane fluxes, including variations in daily surface temperature and of hydrostatic pressure linked to water level fluctuations. A model design overview and early simulation results are presented.

Potter, Christopher↗

Leveraging design of experiments to build chemometric models for the quantification of uranium (VI) and HNO3 by Raman spectroscopy

Partial least squares regression (PLSR) and support vector regression (SVR) models were optimized for the quantification of U(VI) (10–320 g L −1 ) and HNO 3 (0.6–6 M) by Raman spectroscopy with optimized calibration sets chosen by optimal design of experiments. The designed approach effectively minimized the number of samples in the calibration set for PLSR and SVR by selecting sample concentrations with a quadratic process model, despite complex confounding and covarying spectral features in the spectra. The top PLS2 model resulted in percent root mean square errors of prediction for U(VI), HNO 3 , and NO 3 − of 3.7%, 3.6%, and 2.9%, respectively. PLS1 models performed similarly despite modeling an analyte with a majority linear response (i.e., uranyl symmetric stretch) and another with more covarying vibrational modes (i.e., HNO 3 ). Partial least squares (PLS) model loadings and regression coefficients were evaluated to better understand the relationship between weaker Raman bands and covarying spectral features. Support vector machine models outperformed PLS1 models, resulting in percent root mean square error of prediction values for U(VI) and HNO 3 of 1.5% and 3.1%, respectively. The optimal nonlinear SVR model was trained using a similar number of samples (11) compared with the PLSR model, even though PLS is a linear modeling approach. The generic D-optimal design presented in this work provides a robust statistical framework for selecting training set samples in disparate two-factor systems. This approach reinforces Raman spectroscopy for the quantification of species relevant to the nuclear fuel cycle and provides a robust chemometric modeling approach to bolster online monitoring in challenging process environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Business Case Evaluation of Gas Switching Reforming (GSR) Technology: A Promising Technology for Natural Gas Reforming with Integrated CO2 Capture

Hydrogen is essential in the transition to sustainable energy, and developing low-carbon production methods is a key research focus. Traditional steam methane reforming (SMR) dominates the hydrogen industry but contributes substantially to CO2 emissions. In response, Gas Switching Reforming (GSR) has emerged as a novel process that integrates carbon capture and utilizes process heat more efficiently. Unlike other reforming methods, GSR consolidates oxidation and reduction reactions within a single reactor, which minimizes external energy inputs and simplifies scaling. Like conventional steam methane reforming (SMR), GSR can be integrated with water-gas shift and pressure swing adsorption units for pure hydrogen production. This work presents a comprehensive business case analysis of GSR technology based on experimental results in Technology Readiness Level 3, Life Cycle Assessment (LCA) and Techno-Economic (TEA) evaluation incorporating ASPEN Plus process modeling considering different configurations and energy scenarios. The TEA incorporates data from kinetic experiments from various catalysts to evaluate the GSR process under various conditions. The goal of this work is to evaluate GSR’s potential to serve as a low-carbon alternative to SMR, focusing on global warming potential and additional impact categories to evaluate a wide spectrum of environmental impacts. Comparative assessments were conducted with SMR, chemical loop reforming (CLR), and proton exchange membrane (PEM) electrolysis to explore trade-offs across environmental metrics. The environmental impact assessment of this work encompasses the entire hydrogen production lifecycle from raw material extraction to plant decommissioning, using a cradle-to-gate boundary. Preliminary findings highlight that GSR, when integrated with low-carbon energy sources, could significantly reduce environmental impacts, making it a promising candidate for low-carbon hydrogen infrastructure. The insights from this business case evaluation aim to guide industry in scale-up and commercialization of this promising clean energy technology.

03 NATURAL GAS↗

Using experimental design modules for process characterization in manufacturing/materials processes laboratories

Modules dealing with statistical experimental design (SED), process modeling and improvement, and response surface methods have been developed and tested in two laboratory courses. One course was a manufacturing processes course in Mechanical Engineering and the other course was a materials processing course in Materials Science and Engineering. Each module is used as an 'experiment' in the course with the intent that subsequent course experiments will use SED methods for analysis and interpretation of data. Evaluation of the modules' effectiveness has been done by both survey questionnaires and inclusion of the module methodology in course examination questions. Results of the evaluation have been very positive. Those evaluation results and details of the modules' content and implementation are presented. The modules represent an important component for updating laboratory instruction and to provide training in quality for improved engineering practice.

Ankenman, Bruce↗

The DAB model of drawing processes

The problem of automatic drawing was investigated in two ways. First, a DAB model of drawing processes was introduced. DAB stands for three types of knowledge hypothesized to support drawing abilities, namely, Drawing Knowledge, Assimilated Knowledge, and Base Knowledge. Speculation concerning the content and character of each of these subsystems of the drawing process is introduced and the overall adequacy of the model is evaluated. Second, eight experts were each asked to understand six engineering drawings and to think aloud while doing so. It is anticipated that a concurrent protocol analysis of these interviews can be carried out in the future. Meanwhile, a general description of the videotape database is provided. In conclusion, the DAB model was praised as a worthwhile first step toward solution of a difficult problem, but was considered by and large inadequate to the challenge of automatic drawing. Suggestions for improvements on the model were made.

Hochhaus, Larry W.↗

Safety Risk Knowledge Elicitation in Support of Aeronautical R and D Portfolio Management: A Case Study

Aviation is a problem domain characterized by a high level of system complexity and uncertainty. Safety risk analysis in such a domain is especially challenging given the multitude of operations and diverse stakeholders. The Federal Aviation Administration (FAA) projects that by 2025 air traffic will increase by more than 50 percent with 1.1 billion passengers a year and more than 85,000 flights every 24 hours contributing to further delays and congestion in the sky (Circelli, 2011). This increased system complexity necessitates the application of structured safety risk analysis methods to understand and eliminate where possible, reduce, and/or mitigate risk factors. The use of expert judgments for probabilistic safety analysis in such a complex domain is necessary especially when evaluating the projected impact of future technologies, capabilities, and procedures for which current operational data may be scarce. Management of an R&D product portfolio in such a dynamic domain needs a systematic process to elicit these expert judgments, process modeling results, perform sensitivity analyses, and efficiently communicate the modeling results to decision makers. In this paper a case study focusing on the application of an R&D portfolio of aeronautical products intended to mitigate aircraft Loss of Control (LOC) accidents is presented. In particular, the knowledge elicitation process with three subject matter experts who contributed to the safety risk model is emphasized. The application and refinement of a verbal-numerical scale for conditional probability elicitation in a Bayesian Belief Network (BBN) is discussed. The preliminary findings from this initial step of a three-part elicitation are important to project management practitioners as they illustrate the vital contribution of systematic knowledge elicitation in complex domains.

Shih, Ann T.↗

Multidisciplinary Expert-aided Analysis and Design (MEAD)

The MEAD Computer Program (MCP) is being developed under the Multidisciplinary Expert-Aided Analysis and Design (MEAD) Project as a CAD environment in which integrated flight, propulsion, and structural control systems can be designed and analyzed. The MCP has several embedded computer-aided control engineering (CACE) packages, a user interface (UI), a supervisor, a data-base manager (DBM), and an expert system (ES). The supervisor monitors and coordinates the operation of the CACE packages, the DBM; the ES, and the UI. The DBM tracks the control design process. Models created or installed by the MCP are tracked by date and version, and results are associated with the specific model version with which they were generated. The ES is used to relieve the control engineer from tedious and cumbersome tasks in the iterative design process. The UI provides the capability for a novice as well as an expert to utilize the MCP easily and effectively. The MCP version 2(MCP-2.0) is fully developed for flight control system design and analysis. Propulsion system modeling, analysis, and simulation is also supported; the same is true for structural models represented in state-space form. The ultimate goal is to cover the integration of flight, propulsion, and structural control engineering, including all discipline-specific functionality and interfaces. The current MCP-2.0 components and functionality are discussed.

Hummel, Thomas C.↗