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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Significant results from the HCMM program

The major objectives of the HCMM program for applications in geology, agriculture, water studies, and the effects of climate on metropolitan areas are summarized. Results obtained by Principal Investigators in each of these disciplines are presented, discussed, and supported with figures and tables. In order to compare the types of observations and applications that can be derived from HCMM data with some remote sensing standard or framework for each discipline, the principal results already achieved with the LANDSAT system are included.

Source record↗
NASA NTRS2004

Unsteady Analyses of Valve Systems in Rocket Engine Testing Environments

This paper discusses simulation technology used to support the testing of rocket propulsion systems by performing high fidelity analyses of feed system components. A generalized multi-element framework has been used to perform simulations of control valve systems. This framework provides the flexibility to resolve the structural and functional complexities typically associated with valve-based high pressure feed systems that are difficult to deal with using traditional Computational Fluid Dynamics (CFD) methods. In order to validate this framework for control valve systems, results are presented for simulations of a cryogenic control valve at various plug settings and compared to both experimental data and simulation results obtained at NASA Stennis Space Center. A detailed unsteady analysis has also been performed for a pressure regulator type control valve used to support rocket engine and component testing at Stennis Space Center. The transient simulation captures the onset of a modal instability that has been observed in the operation of the valve. A discussion of the flow physics responsible for the instability and a prediction of the dominant modes associated with the fluctuations is presented.

Shipman, Jeremy↗
NASA NTRS2013

NASA Software Engineering Benchmarking Study

To identify best practices for the improvement of software engineering on projects, NASA's Offices of Chief Engineer (OCE) and Safety and Mission Assurance (OSMA) formed a team led by Heather Rarick and Sally Godfrey to conduct this benchmarking study. The primary goals of the study are to identify best practices that: Improve the management and technical development of software intensive systems; Have a track record of successful deployment by aerospace industries, universities [including research and development (R&D) laboratories], and defense services, as well as NASA's own component Centers; and Identify candidate solutions for NASA's software issues. Beginning in the late fall of 2010, focus topics were chosen and interview questions were developed, based on the NASA top software challenges. Between February 2011 and November 2011, the Benchmark Team interviewed a total of 18 organizations, consisting of five NASA Centers, five industry organizations, four defense services organizations, and four university or university R and D laboratory organizations. A software assurance representative also participated in each of the interviews to focus on assurance and software safety best practices. Interviewees provided a wealth of information on each topic area that included: software policy, software acquisition, software assurance, testing, training, maintaining rigor in small projects, metrics, and use of the Capability Maturity Model Integration (CMMI) framework, as well as a number of special topics that came up in the discussions. NASA's software engineering practices compared favorably with the external organizations in most benchmark areas, but in every topic, there were ways in which NASA could improve its practices. Compared to defense services organizations and some of the industry organizations, one of NASA's notable weaknesses involved communication with contractors regarding its policies and requirements for acquired software. One of NASA's strengths was its software assurance practices, which seemed to rate well in comparison to the other organizational groups and also seemed to include a larger scope of activities. An unexpected benefit of the software benchmarking study was the identification of many opportunities for collaboration in areas including metrics, training, sharing of CMMI experiences and resources such as instructors and CMMI Lead Appraisers, and even sharing of assets such as documented processes. A further unexpected benefit of the study was the feedback on NASA practices that was received from some of the organizations interviewed. From that feedback, other potential areas where NASA could improve were highlighted, such as accuracy of software cost estimation and budgetary practices. The detailed report contains discussion of the practices noted in each of the topic areas, as well as a summary of observations and recommendations from each of the topic areas. The resulting 24 recommendations from the topic areas were then consolidated to eliminate duplication and culled into a set of 14 suggested actionable recommendations. This final set of actionable recommendations, listed below, are items that can be implemented to improve NASA's software engineering practices and to help address many of the items that were listed in the NASA top software engineering issues. 1. Develop and implement standard contract language for software procurements. 2. Advance accurate and trusted software cost estimates for both procured and in-house software and improve the capture of actual cost data to facilitate further improvements. 3. Establish a consistent set of objectives and expectations, specifically types of metrics at the Agency level, so key trends and models can be identified and used to continuously improve software processes and each software development effort. 4. Maintain the CMMI Maturity Level requirement for critical NASA projects and use CMMI to measure organizations developing software for NASA. 5.onsolidate, collect and, if needed, develop common processes principles and other assets across the Agency in order to provide more consistency in software development and acquisition practices and to reduce the overall cost of maintaining or increasing current NASA CMMI maturity levels. 6. Provide additional support for small projects that includes: (a) guidance for appropriate tailoring of requirements for small projects, (b) availability of suitable tools, including support tool set-up and training, and (c) training for small project personnel, assurance personnel and technical authorities on the acceptable options for tailoring requirements and performing assurance on small projects. 7. Develop software training classes for the more experienced software engineers using on-line training, videos, or small separate modules of training that can be accommodated as needed throughout a project. 8. Create guidelines to structure non-classroom training opportunities such as mentoring, peer reviews, lessons learned sessions, and on-the-job training. 9. Develop a set of predictive software defect data and a process for assessing software testing metric data against it. 10. Assess Agency-wide licenses for commonly used software tools. 11. Fill the knowledge gap in common software engineering practices for new hires and co-ops.12. Work through the Science, Technology, Engineering and Mathematics (STEM) program with universities in strengthening education in the use of common software engineering practices and standards. 13. Follow up this benchmark study with a deeper look into what both internal and external organizations perceive as the scope of software assurance, the value they expect to obtain from it, and the shortcomings they experience in the current practice. 14. Continue interactions with external software engineering environment through collaborations, knowledge sharing, and benchmarking.

Rarick, Heather L.↗
NASA NTRS2015

A Complementary Note to 'A Lag-1 Smoother Approach to System-Error Estimation': The Intrinsic Limitations of Residual Diagnostics

Recently, this author studied an approach to the estimation of system error based on combining observation residuals derived from a sequential filter and fixed lag-1 smoother. While extending the methodology to a variational formulation, experimenting with simple models and making sure consistency was found between the sequential and variational formulations, the limitations of the residual-based approach came clearly to the surface. This note uses the sequential assimilation application to simple nonlinear dynamics to highlight the issue. Only when some of the underlying error statistics are assumed known is it possible to estimate the unknown component. In general, when considerable uncertainties exist in the underlying statistics as a whole, attempts to obtain separate estimates of the various error covariances are bound to lead to misrepresentation of errors. The conclusions are particularly relevant to present-day attempts to estimate observation-error correlations from observation residual statistics. A brief illustration of the issue is also provided by comparing estimates of error correlations derived from a quasi-operational assimilation system and a corresponding Observing System Simulation Experiments framework.

Fixed-lag smoothing↗
NASA NTRS2024

Observing System Simulation Experiments Exploring Potential Spaceborne Deployment Options for a Differential Absorption Radar Measuring Marine Surface Pressures

A new technology for remote measurements of marine surface pressure has been proposed, employing a V-band differential absorption radar and a radiometric temperature sounder to calculate the total column atmospheric mass. Observing System Simulation Experiments (OSSEs) are performed to evaluate the potential impact of Spaceborne Marine Surface Pressure (SMSP) on Numerical Weather Prediction. These experiments build on prior efforts (Privé, McLinden, et al., 2023, https://doi.org/10.16993/tellusa.3254), but with an updated version of the OSSE framework and with more sophisticated simulation of the SMSP observations and a longer experiment period. Several different instrument configurations are compared, including both scanning and non-scanning orbits. SMSP impacts are calculated for analysis quality and forecast skill, and a forecast sensitivity observation impact tool is employed to place SMSP observations in context with the global observing network. The effects of rain contamination on observation quality are explored. Different magnitudes of simulated SMSP observation error are tested in the context of data assimilation to show the range of potential behaviors. Overall, SMSP observations are found to be most beneficial in the southern hemisphere extratropics, with statistically significant forecast improvements for the first 72 hr of the forecast. A constellation of four non-scanning SMSP satellites is found to outperform a single scanning instrument with a 250 km wide swath.

N C Prive↗
DOE OSTI2022

Antiviral Strategies Against SARS-CoV-2: A Systems Biology Approach

The unprecedented scientific achievements in combating the COVID-19 pandemic reflect a global response informed by unprecedented access to data. We now have the ability to rapidly generate a diversity of information on an emerging pathogen and, by using high-performance computing and a systems biology approach, we can mine this wealth of information to understand the complexities of viral pathogenesis and contagion like never before. These efforts will aid in the development of vaccines, antiviral medications, and inform policymakers and clinicians. Here we detail computational protocols developed as SARS-CoV-2 began to spread across the globe. They include pathogen detection, comparative structural proteomics, evolutionary adaptation analysis via network and artificial intelligence methodologies, and multiomic integration. These protocols constitute a core framework on which to build a systems-level infrastructure that can be quickly brought to bear on future pathogens before they evolve into pandemic proportions.

Teixeira Prates, Erica↗
DOE OSTI2022

Human Performance Analysis Depending on Operator Expertise (Student vs. Operator) and Simulator Complexity (Rancor Microworld vs. Compact Nuclear Simulator)

Human reliability analysis (HRA) evaluates human errors and provides human error probabilities (HEPs) for application in probabilistic safety assessment (PSA), which is a comprehensive safety assessment method for nuclear power plants (NPPs). Generally, HRA methods estimate HEPs based on human reliability data collected from actual historical measurement, simulator experiments, or expert judgement. Most recent HRA data collection studies focus on collecting data via full-scope main control room (MCR) simulators with actual licensed reactor operators. Contrary to this, Idaho National Laboratory (INL) has adopted a different approach, which attempts to collect HRA data based on experiment using simplified simulators and student participants by following the Simplified Human Error Experimental Program (SHEEP). This approach has a couple of advantages compared to full-scope data collection. Representatively, it has relatively low entry point for collecting HRA data, and secures large sample sizes with reasonable cost and labor. In the previous studies, we developed the SHEEP framework, then verified whether the data collected through the framework could support a representative full-scope data collection study, i.e., the Human Reliability Data Extraction (HuREX) study. Also, we analyzed human performance measurements depending on participant type (i.e., student vs. operator). In this paper, we analyze human performance data collected from an experiment comparing operator expertise and simulator complexity when using the more simplified simulator developed by INL, i.e., Rancor Microworld and the less simplified simulator, i.e., Compact Nuclear Simulator (CNS) developed by Korea Atomic Energy Research Institute (KAERI). Analysis of variance (ANOVA) tests and correlation analysis are used for analyzing the experimental data.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2019

Challenges in Vehicle Safety and Occupant Protection for Autonomous Electric Vertical Take-Off and Landing (eVTOL) Vehicles

The burgeoning electric Vertical Take-off and Landing (eVTOL) vehicle industry has generated a significant level of enthusiasm amongst aviation designers, manufacturers and researchers. This industry is determined to change the urban transportation paradigm from traditional ground-based vehicles (cars, taxis, buses) to air-based eVTOL vehicles which can be summoned, much like how conventional taxi services work currently. These new eVTOL vehicles are designed to be small and lightweight and operate autonomously without user intervention. There are many unknowns as to how the industry will mature. The logistics of creating a completely new category of vehicle along with its own set of rules are complex, and there are many known - and unknown - barriers to overcome. Some (of many) known barriers include airspace management, ground logistics, physical space, and, the vehicle design itself. There are many eVTOL vehicle manufacturers and organizations working these problems presently. This report will focus on one major barrier: the level of safety as it pertains to the framework of eVTOL vehicles. A high level of safety is necessary for the vehicles to gain acceptance as the public adapts to these autonomous ride-sharing services. An overview of current levels of transportation safety and some extrapolation into how eVTOL vehicles might compare is first presented. Next, a discussion categorizing the major differences between Crash Prevention and Crash Mitigation as it pertains to eVTOL vehicle safety is included with identification of current deficiencies. The report then expands into a framework for specific ideas that could use Crash Mitigation to improve vehicle safety through a crashworthy systems level approach with several designs highlighted. Finally, a brief discussion into the regulatory approach and potential guidelines as they pertain to new eVTOL vehicles is presented. Accordingly, much of the supplemental data will be taken from sources pertaining to either General Aviation (GA) aircraft, rotorcraft, or transport category aircraft, due to the lack of overarching data from eVTOL vehicles. As of this writing, the European Aviation Safety Agency has released a draft version of a VTOL Special Condition, with a comment period closing in late 2018. It is assumed that eventual expected operations and anticipated future regulations for VTOL vehicles will consist of some combination of these (and other) sources.

Littell, Justin D.↗
DOE OSTI2022

Tritium Transport Modeling at the Pore Scale in Ceramic Breeder Materials Using TMAP8

Fusion reactors depend on the blanket material to breed and release tritium at the same rate or faster than it is consumed by the fusion reaction. Cellular ceramic breeders (CCBs) are dense materials that can maintain a high tritium breeding ratio while promoting tritium release because of highly connected pores. Assessing the tritium breeding capabilities of these materials requires a combination of extensive experimental and modeling efforts. In this work, we develop and calibrate a multiphysics model of tritium transport. This novel model accounts for ceramic and pore diffusion, trapping and detrapping, and several surface reactions at the pore surface. We perform a sensitivity analysis and calibrate the model by comparing its predictions against experimental measurements of deuterium absorption. The calibrated model is then used to model tritium absorption in samples with different pore microstructures to investigate the effect of pore interconnectivity on tritium absorption. The model is part of the development of the multiscale, multiphysics framework for tritium transport [i.e., the Tritium Migration Analysis Program (TMAP8)], which is itself built on top of the finite-element multiphysics framework multiphysics object-oriented simulation environment (MOOSE). This study demonstrates some of TMAP8’s capabilities and is the first step toward assessing the tritium breeding capabilities of ceramic breeder material designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

Measurement of opaque film thickness

The theoretical and experimental framework for thickness measurements of thin metal films by low frequency thermal waves is described. Although it is assumed that the films are opaque and the substrates are comparatively poor thermal conductors, the theory is easily extended to other cases of technological interest. A brief description is given of the thermal waves and the experimental arrangement and parameters. The usefulness of the technique is illustrated for making absolute measurements of the thermal diffusivities of isotropic substrate materials. This measurement on pure elemental solids provides a check on the three dimensional theory in the limiting case of zero film thickness. The theoretical framework is then presented, along with numerical calculations and corresponding experimental results for the case of copper films on a glass substrate.

Thomas, R. L.↗
DOE OSTI2021

Identification of bioprivileged molecules: expansion of a computational approach to broader molecular space

As interest in biobased chemicals grows, and their application space expands, computational tools to navigate molecule space as a complement to experimental approaches are imperative. This work expands upon previous work that identified candidate bioprivileged molecules from the C 6 H x O y (C6) subspace. It refines the framework that was developed previously to better refine the molecules according to their biological origin and applies it to three new subspaces of chemical structure: C 4 H x O y (C4), C 5 H x O y (C5), and C 7 H x O y (C7). For C5 and C7, roughly the top 100 bioprivileged candidates were identified, and the enhanced framework was applied to recast slightly the previous list of the top 100 C6 molecules. In addition, all top candidates were analyzed for their key functional moieties using a random forest model, and this algorithm was applied to compare the functional group space occupied by bioprivileged molecules of various databases of molecules with a focus on evaluating how closely the molecules were aligned with those known to biology. Furthermore, with the present work's focus on automation and data science principles, the framework can be easily expanded to include other chemical formulae to screen for bioprivileged candidates. As a result, this in turn facilitates the retrosynthesis process inherent in the framework to identify those bioprivileged intermediates in other subspaces that lead to target molecules.

42 ENGINEERING↗
DOE OSTI2021

Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an end-to-end machine learning model that automatically generates descriptors that capture a complex representation of a material’s structure and chemistry. This approach builds on computational topology techniques (namely, persistent homology) and word embeddings from natural language processing. It automatically encapsulates geometric and chemical information directly from the material system. We demonstrate our approach on multiple nanoporous metal–organic framework datasets by predicting methane and carbon dioxide adsorption across different conditions. Our results show considerable improvement in both accuracy and transferability across targets compared to models constructed from the commonly-used, manually-curated features, consistently achieving an average 25–30% decrease in root-mean-squared-deviation and an average increase of 40–50% in R 2 scores. A key advantage of our approach is interpretability: Our model identifies the pores that correlate best to adsorption at different pressures, which contributes to understanding atomic-level structure–property relationships for materials design.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Method for tuning thermal expansion properties in an additive manufacturing feedstock material

A feedstock material for use in an additive manufacturing apparatus is prepared from a first material and a metal organic framework (MOF). The MOF comprises a plurality of nodes and a plurality of linkers, the plurality of linkers coupled to the plurality of nodes, thereby forming a framework. The MOF has a lower coefficient of thermal expansion than a coefficient of thermal expansion for the first material. As a result, the feedstock material has a reduced coefficient of thermal expansion as compared to the first material alone and thus exhibits low thermal expansion as its temperature is increased. The coefficient of thermal expansion for the MOF may be modified by using a different plurality of nodes and/or a different plurality of linkers, as well as by incorporating guest molecules or atoms into the framework of the MOF.

Burtch, Nicholas C.↗
DOE OSTI2022

A directional microcrack damage theory for brittle solids based on continuous hyperplasticity

We present a novel microcrack-damage theory for brittle solids under compression. Instead of using internal variables like zeroth, second or fourth rank damage tensors, the state of material damage is represented by an internal function that encapsulates the information of direction, density and size of microcracks. Just like other internal variables, the evolution of this state function must obey the second law of thermodynamics for arbitrary loading paths. This is done by casting the model in the framework of continuous hyperplasticity and enforcing a non-negative dissipation rate functional. The proposed framework offers predictions on the continuous evolution of microcrack density and the induced material anisotropy along with the macroscopic stress-strain curves. The use of continuous damage function grants the model significantly enhanced resolution in characterizing the direction-dependent response of cracked solids compared to classical models that are based on damage tensors. Two scenarios are considered in developing the theory, one assumes frictionless cracks and the other incorporates friction between crack surfaces. The results highlight that inelasticity, pressure dependence, and loading-unloading hysteresis exhibited by brittle solids are natural consequences of frictional microcracks. The proposed theory offers a generic and versatile framework to upscale micromechanical processes operating at individual crack scale to explain the macroscopic behavior of cracked solids.

Materials Science↗
DOE OSTI2025

CO Adsorbates Induced Framework-Associated Low-Valence Co δ+ Sites in Co-ZSM-5 for Ethane Dehydrogenation

The dynamic structural evolution of heterogeneous catalysts is a ubiquitous phenomenon that has attracted a lot of interest. Catalyst reconstruction can occur after appropriate pretreatment, resulting in more efficient active catalysts, which is an attractive but challenging issue. Here, we reveal a CO activation strategy that controls the microenvironment of the Co sites in the high-silica Co-ZSM-5 catalyst (denoted as 0.50Co-Z5(340)), resulting in three times higher initial conversion and superior regeneration durability in the ethane dehydrogenation reaction compared to the same catalyst without CO pretreatment. In situ spectroscopy and metadynamics simulations reveal that the Co 2+ sites in 0.50Co-Z5(340) dislodge from the framework and move toward the nearby Brønsted acid sites, forming framework-associated low-valence Co δ+ species. Mechanistic studies indicate that the Co δ+ species catalyze ethane C–H bond cleavage via an oxidative addition mechanism, and ethylene is produced simultaneously with H* coupling (direct pathway). The promoted C–H bond activation and facile ethylene desorption explain the superior ethane dehydrogenation performance of the herein CO preactivated 0.50Co-Z5(340) catalyst.

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

Machine learning guided selection of broad-spectrum epitope-specific functional antibodies for "Disease X"

Our project established and demonstrated a transfer learning framework that enables prediction of antibody–antigen interactions across related viruses. The approach focused on three major activities: 1. Conserved region and epitope identification – We compared viral protein structures and sequences to identify shared receptor-binding domains and neutralizing epitope regions across variants and related viruses. These conserved features formed the foundation for discovering broadly functional antibodies. 2. Machine learning model development – We built neural network–based models that integrate epitope features with antibody sequence information. Instead of relying solely on structural or physical properties, the models learned transferable patterns that describe antibody binding potential across different viral families. 3. Transfer learning and validation – Using SARS-CoV-2 and Ebola as source systems, we successfully transferred learned epitope features to predict antibody interactions for SARS CoV-1 and Marburg virus. Iterative cycles of dataset generation, retraining, and evaluation improved generalization and predictive power, ensuring the framework can adapt to new threats.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

On the prediction of critical heat flux using a physics-informed machine learning-aided framework

The critical heat flux (CHF) corresponding to the departure from nucleate boiling (DNB) crisis is essential to the design and safety of a two-phase flow boiling system. Despite the abundance of predictive tools available to the thermal engineering community, the path for an accurate, robust CHF model remains elusive due to lack of consensus on the DNB triggering mechanism. This work aims to apply a physics-informed machine learning (ML)-aided hybrid framework to achieve superior predictive capabilities. Such a hybrid approach takes advantage of existing understanding in the field of interest (i.e., domain knowledge) and uses ML to capture undiscovered information from the mismatch between the actual and domain knowledge-predicted target. A detailed case study is carried out with an extensive DNB-specific CHF database to demonstrate (1) the improved performance of the hybrid approach as compared to traditional domain knowledge-based models, and (2) the hybrid model’s superior generalization capabilities over standalone ML methods across a wide range of flow conditions. The hybrid framework could also readily extend its applicability domain and complexity on the fly, showing an elevated level of flexibility and robustness. Based on the case study conclusions, the window-type extrapolation mapping methodology is further proposed to better inform high-cost experimental work.

42 ENGINEERING↗
DOE OSTI2022

DIGS: deep inference of galaxy spectra with neural posterior estimation

Abstract With the advent of billion-galaxy surveys with complex data, the need of the hour is to efficiently model galaxy spectral energy distributions (SEDs) with robust uncertainty quantification. The combination of simulation-based inference (SBI) and amortized neural posterior estimation (NPE) has been successfully used to analyse simulated and real galaxy photometry both precisely and efficiently. In this work, we utilise this combination and build on existing literature to analyse simulated noisy galaxy spectra. Here, we demonstrate a proof-of-concept study of spectra that is (a) an efficient analysis of galaxy SEDs and inference of galaxy parameters with physically interpretable uncertainties; and (b) amortized calculations of posterior distributions of said galaxy parameters at the modest cost of a few galaxy fits with Markov chain Monte Carlo (MCMC) methods. We utilise the SED generator and inference framework Prospector to generate simulated spectra, and train a dataset of 2 × 10 6 spectra (corresponding to a five-parameter SED model) with NPE. We show that SBI—with its combination of fast and amortized posterior estimations—is capable of inferring accurate galaxy stellar masses and metallicities. Our uncertainty constraints are comparable to or moderately weaker than traditional inverse-modelling with Bayesian MCMC methods (e.g. 0.17 and 0.26 dex in stellar mass and metallicity for a given galaxy, respectively). We also find that our inference framework conducts rapid SED inference (0.9–1.2 × 10 5 galaxy spectra via SBI/NPE at the cost of 1 MCMC-based fit). With this work, we set the stage for further work that focuses of SED fitting of galaxy spectra with SBI, in the era of JWST galaxy survey programs and the wide-field Roman Space Telescope spectroscopic surveys.

spectroscopy↗