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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tritium Transport Phenomena in Molten-Salt Reactors

In this work, we review phenomena relevant to tritium transport in molten-salt reactors, which produce tritium from lithium and beryllium salts at significantly higher levels than other reactor types. Modeling of such phenomena began following MSRE operations, and these early models attempted to predict measured tritium distributions in the MSRE, accounting for turbulent mass-transport processes (using established heat transfer correlations), permeation through a variety of metal structures such as heat exchanger tubes, and transport to and from bubbles introduced into the salt by gas sparging. The models reasonably reproduced the MSRE data, but did so best when the permeability of structures was reduced by about a factor of 1,000. This issue does not appear to have been conclusively resolved, and all of the more recent attempts to model tritium transport in molten salts appear to make use of the same methodology. MSRE remains, however, essentially our only source of integral tritium transport data relevant to MSRs. Here, we generalize the MSRE approach to permeation in order to include potential rate-limiting effects at interfaces, as well the effects of added hydrogen. Appropriately non-dimensionalized, this system of equations identifies two dimensionless numbers whose relative values clearly delineate the conditions under which mass transport, surface effects, permeation, and hydrogen swamping are expected to become rate-limiting. We also describe the preliminary conceptual design of a forced convection FLiBe loop, into which tritium would be introduced for the purpose of providing validation data for such a model. The primary purpose of this is to investigate the coupled transport phenomena described above and identify those that are rate-limiting in MSRs. Additional test section configurations are described that would address other transport phenomena relevant to MSRs, including bubbly flows and graphite interactions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2001

Remote Sensing of Atlanta's Urban Sprawl and the Distribution of Land Cover and Surface Temperature

Between 1973 and 1992, an average of 20 ha of forest was lost each day to urban expansion of Atlanta, Georgia. Urban surfaces have very different thermal properties than natural surfaces-storing solar energy throughout the day and continuing to release it as sensible heat well after sunset. The resulting heat island effect serves as catalysts for chemical reactions from vehicular exhaust and industrialization leading to a deterioration in air quality. In this study, high spatial resolution multispectral remote sensing data has been used to characterize the type, thermal properties, and distribution of land surface materials throughout the Atlanta metropolitan area. Ten-meter data were acquired with the Advanced Thermal and Land Applications Sensor (ATLAS) on May 11 and 12, 1997. ATLAS is a 15-channel multispectral scanner that incorporates the Landsat TM bands with additional bands in the middle reflective infrared and thermal infrared range. The high spatial resolution permitted discrimination of discrete surface types (e.g., concrete, asphalt), individual structures (e.g., buildings, houses) and their associated thermal characteristics. There is a strong temperature contrast between vegetation and anthropomorphic features. Vegetation has a modal temperature at about 20 C, whereas asphalt shingles, pavement, and buildings have a modal temperature of about 39 C. Broad-leaf vegetation classes are indistinguishable on a thermal basis alone. There is slightly more variability (+/-5 C) among the urban surfaces. Grasses, mixed vegetation and mixed urban surfaces are intermediate in temperature and are characterized by broader temperature distributions with modes of about 29 C. Thermal maps serve as a basis for understanding the distribution of "hotspots", i.e., how landscape features and urban fabric contribute the most heat to the lower atmosphere.

Laymon, Charles A.↗
DOE OSTI2019

XPCA - R Implementation

Principal component analysis (PCA) is arguably the most popular tool in multivariate exploratory data analysis. We consider the question of how to handle heterogeneous variables that include continuous, binary, and ordinal. In the probabilistic interpretation of low-rank PCA, the data has a normal multivariate distribution and, therefore, normal marginal distributions for each column. If some marginals are continuous but not normal, the semiparametric copula-based principal component analysis (COCA) method is an alternative to PCA that combines a Gaussian copula with nonparametric marginals. If some marginals are discrete or semi-continuous, we present a new extended PCA (XPCA) method that also uses a Gaussian copula and nonparametric marginals and accounts for discrete variables in the likelihood calculation by integrating over appropriate intervals. Like PCA, the factors produced by XPCA can be used to find latent structure in data, build predictive models, and perform dimensionality reduction. We implement the new model, XPCA, and its ancestors PCA and COCA in both R and Python. This software provides implementations of XPCA, COCA, and probabilistic PCA in both R and Python. XPCA is written in arXiv report https://arxiv.org/abs/1808.07510. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. SAND2019-10591 M

Kincher-Winoto, Kina↗
DOE OSTI2019

XPCA -Python Implementation

Principal component analysis (PCA) is arguably the most popular tool in multivariate exploratory data analysis. We consider the question of how to handle heterogeneous variables that include continuous, binary, and ordinal. In the probabilistic interpretation of low-rank PCA, the data has a normal multivariate distribution and, therefore, normal marginal distributions for each column. If some marginals are continuous but not normal, the semiparametric copula-based principal component analysis (COCA) method is an alternative to PCA that combines a Gaussian copula with nonparametric marginals. If some marginals are discrete or semi-continuous, we present a new extended PCA (XPCA) method that also uses a Gaussian copula and nonparametric marginals and accounts for discrete variables in the likelihood calculation by integrating over appropriate intervals. Like PCA, the factors produced by XPCA can be used to find latent structure in data, build predictive models, and perform dimensionality reduction. We implement the new model, XPCA, and its ancestors PCA and COCA in both R and Python. This software provides implementations of XPCA, COCA, and probabilistic PCA in both R and Python. XPCA is written in arXiv report https://arxiv.org/abs/1808.07510. SAND2019-10591 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Kincher-Winoto, Kina↗
DOE OSTI2020

Multi-GPU immersed boundary method hemodynamics simulations

Large-scale simulations of blood flow that resolve the 3D deformation of each comprising cell are increasingly popular owing to algorithmic developments in conjunction with advances in compute capability. Among different approaches for modeling cell-resolved hemodynamics, fluid structure interaction (FSI) algorithms based on the immersed boundary method are frequently employed for coupling separate solvers for the background fluid and the cells within one framework. GPUs can accelerate these simulations; however, both current pre-exascale and future exascale CPU-GPU heterogeneous systems face communication challenges critical to performance and scalability. In this paper, we describe, to our knowledge, the largest distributed GPU-accelerated FSI simulations of high hematocrit cell-resolved flows with over 17 million red blood cells. We compare scaling on a fat node system with six GPUs per node and on a system with a single GPU per node. Through comparison between the CPU- and GPU-based implementations, we identify the costs of data movement in multiscale multi-grid FSI simulations on heterogeneous systems and show it to be the greatest performance bottleneck on the GPU.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2001

Remote Sensing of Atlanta's Urban Sprawl and the Distribution of Land Cover and Surface Temperatures

Between 1973 and 1992, an average of 20 ha of forest was lost each day to urban expansion of Atlanta, Georgia. Urban surfaces have very different thermal properties than natural surfaces-storing solar energy throughout the day and continuing to release it as sensible heat well after sunset. The resulting heat island effect serves as catalysts for chemical reactions from vehicular exhaust and industrialization leading to a deterioration in air quality. In this study, high spatial resolution multispectral remote sensing data has been used to characterize the type, thermal properties, and distribution of land surface materials throughout the Atlanta metropolitan area. Ten-meter data were acquired with the Advanced Thermal and Land Applications Sensor (ATLAS) on May 11 and 12, 1997. ATLAS is a 15-channel multispectral scanner that incorporates the Landsat TM bands with additional bands in the middle reflective infrared and thermal infrared range. The high spatial resolution permitted discrimination of discrete surface types (e.g., concrete, asphalt), individual structures (e.g., buildings, houses) and their associated thermal characteristics. There is a strong temperature contrast between vegetation and anthropomorphic features. Vegetation has a modal temperature at about 20 C, whereas asphalt shingles, pavement, and buildings have a modal temperature of about 39 C. Broad-leaf vegetation classes are indistinguishable on a thermal basis alone. There is slightly more variability (plus or minus 5 C) among the urban surfaces. Grasses, mixed vegetation and mixed urban surfaces are intermediate in temperature and are characterized by broader temperature distributions with modes of about 29 C. Thermal maps serve as a basis for understanding the distribution of "hotspots", i.e., how landscape features and urban fabric contribute the most heat to the lower atmosphere.

Laymon, Charles A.↗
DOE OSTI2026

The Role of the U.S. Electric Distribution System in Serving Data Center and Other Large Loads

The rapid expansion of data centers in the United States is reshaping how the electric distribution system must plan for and accommodate large load interconnections. This report evaluates the role of the distribution grid in serving these loads, from small edge facilities to hyperscale campuses. Using national datasets, utility filings, and industry studies, we assess demand growth, reliability requirements, interconnection thresholds, and infrastructure needs at substations and feeders. The analysis highlights the mismatch between fast data center development timelines and slower utility planning and construction cycles, as well as strategies such as phased energization, on-site generation, hosting capacity maps, and structured interconnection frameworks. While focused on data centers, the insights also apply to other high-density loads such as advanced manufacturing, hydrogen production, and electrified transportation. The report concludes with approaches to align planning processes, transparency tools, and regulatory frameworks so utilities can manage new large loads in ways that support a reliable and resilient grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2007

An Experimental System for a Global Flood Prediction: From Satellite Precipitation Data to a Flood Inundation Map

Floods impact more people globally than any other type of natural disaster. It has been established by experience that the most effective means to reduce the property damage and life loss caused by floods is the development of flood early warning systems. However, advances for such a system have been constrained by the difficulty in estimating rainfall continuously over space (catchment-. national-, continental-. or even global-scale areas) and time (hourly to daily). Particularly, insufficient in situ data, long delay in data transmission and absence of real-time data sharing agreements in many trans-boundary basins hamper the development of a real-time system at the regional to global scale. In many countries around the world, particularly in the tropics where rainfall and flooding co-exist in abundance, satellite-based precipitation estimation may be the best source of rainfall data for those data scarce (ungauged) areas and trans-boundary basins. Satellite remote sensing data acquired and processed in real time can now provide the space-time information on rainfall fluxes needed to monitor severe flood events around the world. This can be achieved by integrating the satellite-derived forcing data with hydrological models, which can be parameterized by a tailored geospatial database. An example that is a key to this progress is NASA's contribution to the Tropical Rainfall Measuring Mission (TRMM), launched in November 1997. Hence, in an effort to evolve toward a more hydrologically-relevant flood alert system, this talk articulates a module-structured framework for quasi-global flood potential naming, that is 'up to date' with the state of the art on satellite rainfall estimation and the improved geospatial datasets. The system is modular in design with the flexibility that permits changes in the model structure and in the choice of components. Four major components included in the system are: 1) multi-satellite precipitation estimation; 2) characterization of land surface including digital elevation from NASA SRTM, topography-derived hydrologic parameters such as flood direction. flow accumulation, basin, and river network etc.; 3) spatially distributed hydrological models to infiltrate rainfall and route overland runoff; and 4) an implementation interface to relay thc input data to the models and display the flood inundation results to the users and decision-makers. Early results appear reasonable in terms of location and frequency of events. Case studies of this experimental system are evaluated with surface runoff data and other river monitoring systems. such as Dartmouth Flood Observatory's "Surface Water Watch" array of river reaches that are measured daily via other satellite remote sensing data. A major outcome of this progress will be the availability of a global overview of flood alerts that should consequently improve the performance of Decision Support System. We expect these developments in utilization of satellite remote sensing technology to offer a practical solution to the challenge of building a cost-effective early warning system for data scarce and under-developed areas.

Adler, Robert↗
NASA NTRS1986

Some design considerations for ceramic components in heat engine applications

The design methodology for brittle material structures which is being developed and used at the Lewis Research Center for sizing ceramic components in heat engine applications is reviewed. Theoretical aspects of designing with structural ceramics are discussed, and a general purpose reliability program for predicting fast fracture response due to volume distributed flaws is described. Statistical treatment of brittle behavior, based on the Weibull model, is reviewed and its advantages, as well as drawbacks, are listed. A mechanistic statistical fracture theory, proposed by Batdorf to overcome the Weibull model limitations and based on Griffith fracture mechanics, is summarized. Failure probability predictions are made for rotating annular Si3N4 disks using various fracture models, and the results are compared to actual failure data. The application of these design methods to Government funded ceramics engine demonstration programs is surveyed. The uncertainty in observed component performance emphasizes the need for proof testing and improved nondestructive evaluation to guarantee adequate structural integrity.

Gyekenyesi, John P.↗
DOE OSTI2021

Structure and Oxygen Evolution Activity of β-NiOOH: Where Are the Protons?

Ni oxides and oxyhydroxides (NiO x ) have been studied for a long time as cathode materials for alkaline batteries and electrocatalysts for the oxygen evolution reaction (OER). Yet, understanding of the connection between their atomic and electronic structures and electrochemical performance or stability is still incomplete. In this work, we use first-principles density functional theory (DFT) calculations to revisit the structure, electronic properties, and OER activity of β-NiOOH, the catalytically active phase of NiO x . Following extensive DFTbased screening, we identify a hitherto overlooked structure characterized by a uniform distribution of H atoms on the NiO 2 layers. All the Ni 3+ cations in this structure exhibit an identical t g 6 e g 1 electronic configuration with an occupied 3d z2 orbital. Comparison of the calculated bond lengths with extended X-ray absorption fine structure (EXAFS) data unequivocally supports this structure relative to all other low-energy configurations. Based on this structure, we uncover and detail defect-dominated OER mechanisms on the basal β-NiOOH (001) surface, with overpotentials as low as 0.39 V. The present results should provide a valuable contribution to ongoing efforts for understanding and developing enhanced transition-metal hydroxide catalysts for the OER.

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

A small core in Vesta inferred from Dawn’s observations

Vesta’s large-scale interior structure had previously been constrained primarily using the gravity and shape data from the Dawn mission. However, these data alone still allow a wide range of possibilities for the differentiation state of the body. The moment of inertia is arguably the most diagnostic parameter related to the radial density distribution of a planetary body, making it crucial for assessing the body’s state of internal differentiation. Determining the moment of inertia requires additional measurements of the amplitudes of small rotational motions, such as precession and nutation. Here we report an updated estimate of the moment of inertia of Vesta inferred from Dawn’s Doppler tracking via the Deep Space Network and onboard imaging data. The recovered value for Vesta’s normalized polar moment of inertia is $\overline{C}$/MR 2 = 0.4208 ± 0.0047 (where M is the mass of Vesta and R is the reference radius), which is only 6.6% lower than the homogeneous value of 0.4505. This value, combined with the gravity field and global shape, suggests that Vesta’s interior has limited density stratification beneath its howardite–eucrite–diogenite-dominated crust. We propose two possible origin scenarios that are consistent with the observed constraints. In the first scenario, Vesta’s interior did not undergo full differentiation due to late accretion. In the second scenario, Vesta originated as an impact remnant of a larger differentiated body re-accreted with non-chondritic bulk composition produced from a catastrophic impact. Vesta did not experience complete differentiation in either scenario, suggesting that its current state reflects a complex interplay between its accretion timing, thermal evolution, redistribution of 26 Al bearing melt and/or impact processes.

CNEOS 2014-01-08 bolide↗
DOE OSTI2025

Structural constraint integration in a generative model for the discovery of quantum materials

Billions of organic molecules have been computationally generated, yet functional inorganic materials remain scarce due to limited data and structural complexity. Here, in this work, we introduce Structural Constraint Integration in a GENerative model (SCIGEN), a framework that enforces geometric constraints, such as honeycomb and kagome lattices, within diffusion-based generative models to discover stable quantum materials candidates. SCIGEN enables conditional sampling from the original distribution, preserving output validity while guiding structural motifs. This approach generates ten million inorganic compounds with Archimedean and Lieb lattices, over 10% of which pass multistage stability screening. High-throughput density functional theory calculations on 26,000 candidates shows over 95% convergence and 53% structural stability. A graph neural network classifier detects magnetic ordering in 41% of relaxed structures. Furthermore, we synthesize and characterize two predicted materials, TiPd 0.22 Bi 0.88 and Ti 0.5 Pd 1.5 Sb, which display paramagnetic and diamagnetic behaviour, respectively. Our results indicate that SCIGEN provides a scalable path for generating quantum materials guided by lattice geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of rare earth size on network structure and glass forming ability in binary aluminum garnets

Rare earth aluminate glasses are potentially useful for optical, luminescence, and laser applications. As reluctant glass formers, these materials exhibit unconventional atomic structures. To better understand how their structures correlate with glass formation, we investigate two rare earth aluminum garnet melts, La 3 Al 5 O 12 (LAG) and Yb 3 Al 5 O 12 (YbAG), which represent the relative extremes of good and poor glass forming ability in rare earth aluminates. Structural models have been refined to high-energy X-ray diffraction data over 1340–2740 K. Both melts contain mixtures of AlO 4 , AlO 5 , and AlO 6 polyhedra, with larger fractions of [5] Al and [6] Al in YbAG. Extrapolation of the Al–O coordination distributions to the glass transition match closely with 27 Al nuclear magnetic resonance measurements of (La 1−z Y z ) 3 Al 5 O 12 glasses, z = 0 to 1. During cooling, the mean coordination numbers increase for La–O in LAG from 6.45(8) to 6.98(8) and for Yb–O in YbAG from 6.02(8) to 6.21(8). Linkedness among Al–O polyhedra at ∼2450 K is mostly corner-sharing, with 9% edge-sharing in LAG and 19% in YbAG. Among [4] Al units, both melts have 6% edge-sharing that convert to all corner-sharing upon cooling. Network connectivity is compared using a newly defined metric, K n , that is similar to the Q n distribution but that accounts for the edge-sharing and triply bonded oxygen present in these melts. The lower glass forming ability in YbAG as compared to LAG correlates with more edge-sharing, associated with the larger fractions of [5] Al and [6] Al, and lower connectivity among [4] Al units.

Wilke, Stephen K. [Materials Development, Inc., Ar↗
DOE OSTI2025

Pore2Chip: All-in-one python tool for soil microstructure analysis and micromodel design

The Pore2Chip Python package is designed to create 2D micromodels using extracted data from 3D X-ray computed tomography (XCT) images. This package helps analyze soil structure and function, allowing for the investigation of hydro-biogeochemical processes that impact mineral extraction and reactivity, oxygen concentrations, and nutrient availability in disturbed or managed soils. Key metrics encompass pore size distributions, pore throat size distributions, and connectivity (pore coordination numbers). The final output is a 2D scalable SVG design representing a core or aggregate. Designs can be fabricated with methods such as laser etching, 3D printing, and photolithography.

lab-on-chip↗
DOE OSTI2025

A Semi-supervised Hybrid Machine Learning Framework for the Qualification of Resistance Spot Welds

• Industries requiring high structural integrity, including automotive, aerospace, and construction, place considerable significance on weld quality classification. • The inspection normally involves human expertise through predefined quality metrics that are subjective, error-prone, and time-intensive • The challenge to classification model development is the scarcity of labeled data and imbalanced distributions in the data that are labeled. • This work develops a new hybrid methodology that achieves clustering using KMeans++ together with supervised classification to overcome these challenges. • The ensemble-based classifiers were identified as optimal, with accuracy enhancements of up to 8% using the pseudo-labeled dataset. • The work provides practical insight into feature engineering and machine learning integration in industrial quality assurance applications.

Rogers, Jeremy K. [Savannah River National Laborat↗
NASA NTRS1984

The embedded operating system project

This progress report describes research towards the design and construction of embedded operating systems for real-time advanced aerospace applications. The applications concerned require reliable operating system support that must accommodate networks of computers. The report addresses the problems of constructing such operating systems, the communications media, reconfiguration, consistency and recovery in a distributed system, and the issues of realtime processing. A discussion is included on suitable theoretical foundations for the use of atomic actions to support fault tolerance and data consistency in real-time object-based systems. In particular, this report addresses: atomic actions, fault tolerance, operating system structure, program development, reliability and availability, and networking issues. This document reports the status of various experiments designed and conducted to investigate embedded operating system design issues.

Campbell, R. H.↗
NASA NTRS1985

Measurements in liquid fuel sprays

A ground test facility is being established at NASA Lewis Research Center to simulate the environmental and flight conditions needed to study adverse weather effects. One of the most important components is the water spray system which consists of many nozzles fitted on spray bars. Water is injected through air-assisted atomizers to generate uniform size drops to simulate icing in clouds. The primary objective is to provide experimental data on drop size distribution over a wide range of operating conditions. Correlation equations for mean drop size and initial injection parameters are being determined to assist in the design and modification of the Altitude Wind Tunnel. Special emphasis is being placed on the study of the aerodynamic structure of the air-assisted atomizer sprays. Detailed measurements of the variation of drop size distribution and velocity as a function of time and space are being made. Accurate initial and boundary conditions are being provided for computer model evaluation.

Chigier, N.↗
NASA NTRS1987

Transport of passive scalars in a turbulent channel flow

A direct numerical simulation of a turbulent channel flow with three passive scalars at different molecular Prandtl numbers is performed. Computed statistics including the turbulent Prandtl numbers are compared with existing experimental data. The computed fields are also examined to investigate the spatial structure of the scalar fields. The scalar fields are highly correlated with the streamwise velocity; the correlation coefficient between the temperature and the streamwise velocity is as high as 0.95 in the wall region. The joint probability distributions between the temperature and velocity fluctuations are also examined; they suggest that it might be possible to model the scalar fluxes in the wall region in a manner similar to the Reynolds stresses.

Kim, John↗