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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Shock capturing

Recent developments which have improved the understanding of how finite difference methods resolve discontinuous solutions to hyperbolic partial differential equations are discussed. As a result of this understanding improved shock capturing methods are currently being developed and tested. Some of these methods are described and numerical results are presented showing their performance on problems containing shocks in one and two dimensions. A conservative difference scheme is defined. Conservation implies that, except in very special circumstances, shocks must be spread over at least two grid intervals. These two interval shocks are actually attained in one dimension if the shock is steady and an upwind scheme is used. By analyzing this case, the reason for this excellent shock resolution can be determined. This result is used to provide a mechanism for improving the resolution of two dimensional steady shocks. Unfortunately, this same analysis shows that these results cannot be extended to shocks which move relative to the computing grid. Total variation diminishing (TVD) finite difference schemes and flux limiters are introduced to deal with money shocks and contact discontinuities.

Davis, S. F.↗
DOE OSTI2021

Non-Gaussian estimates of tensions in cosmological parameters

We discuss how to efficiently and reliably estimate the level of agreement and disagreement on parameter determinations from different experiments, fully taking into account non-Gaussianities in the parameter posteriors. We develop two families of scalable algorithms that allow us to perform this type of calculations in increasing number of dimensions and for different levels of tensions. One family of algorithms rely on kernel density estimates of posterior distributions while the other relies on machine learning modeling of the posterior distribution with normalizing flows. We showcase their effectiveness and accuracy with a set of benchmark examples and find both methods agree with each other and the true tension within 0.5σ in difficult cases and generally to 0.2σ or better. This allows us to study the level of internal agreement between different measurements of the clustering of cosmological structures from the Dark Energy Survey and their agreement with measurements of the Cosmic Microwave Background from the Planck satellite.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Modulating CO 2 Electrocatalytic Conversion to the Organics Pathway by the Catalytic Site Dimension

Electrochemical reduction of carbon dioxide to organic chemicals provides a value-added route for mitigating greenhouse gas emissions. Here, we report a family of carbon-supported Sn electrocatalysts with the tin size varying from single atom, ultrasmall clusters to nanocrystallites. High single-product Faradaic efficiency (FE) and low onset potential of CO 2 conversion to acetate (FE = 90% @ –0.6 V), ethanol (FE = 92% @ –0.4 V), and formate (FE = 91% @ –0.6 V) were achieved over the catalysts of different active site dimensions. The CO 2 conversion mechanism behind these highly selective, size-modulated p-block element catalysts was elucidated by structural characterization and computational modeling, together with kinetic isotope effect investigation.

10 SYNTHETIC FUELS↗
DOE OSTI2026

A LASER POWDER BED FUSION ADDITIVE MANUFACTURING CHARACTERIZATION APPROACH AND DATASET HIGHLIGHTING IMPLICATIONS FOR CROSS-PLATFORM PERFORMANCE CONSISTENCY

Additive Manufacturing (AM) has remained a rapidly growing technology over the past decade, which affords many benefits. However, there is one main hinderance to widespread adoption: Products produced on one Laser Powder Bed Fusion (LPBF) AM system can vary in mechanical performance from those produced on another system. This is due to the fact that while LPBF AM system is producing a product’s shape, it is also producing the product’s material. Due to the complex and dynamic nature of LPBF, items fabricated on one system can be different in terms of dimensions, microstructure and quality compared to items fabricated on a different make or model system. This lack of cross-platform performance consistency makes widespread adoption challenging. This work was created to help understand the variation between different Laser Powder Bed Fusion (LPBF) Additive Manufacturing (AM) systems across different manufacturers, models, and users, and to provide insight into how to ensure product consistency regardless of system selection.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structure of iso-density sets in supersonic isothermal turbulence

Context: The gas density structure of the cold molecular phase of the interstellar medium is the main controller of star formation. Aims: A theoretical framework is proposed to describe the structural content of the density field in isothermal supersonic turbulence. Methods: It makes use of correlation and structure functions of the phase indicator field defined for different iso-density values. The relations between these two-point statistics and the geometrical features of iso-density sets such as the volume fraction, the surface density, the curvature, and fractal characteristics are provided. An exact scale-by-scale budget equation is further derived revealing the role of the turbulent cascade and dilation on the structural evolution of the density field. Although applicable to many flow situations, this tool is here first invoked for characterising supersonic isothermal turbulence, using data from the currently best-resolved numerical simulation. Results: We show that iso-density sets are surface fractals rather than mass fractals, with dimensions that markedly differ between dilute, neutral, and dense regions. The surface–size relation is established for different iso-density values. We further find that the turbulent cascade of iso-density sets is directed from large towards smaller scales, in agreement with the classical picture that turbulence acts to concentrate more surface into smaller volumes. Intriguingly, there is no range of scales that complies with a constant transfer rate in the cascade, challenging our fundamental understanding of interstellar turbulence. Finally, we recast the virial theorem in a new formulation drawing an explicit relation between the aforementioned geometrical measures and the dynamics of iso-density sets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Multi-output multilevel best linear unbiased estimators via semidefinite programming

Multifidelity forward uncertainty quantification (UQ) problems often involve multiple quantities of interest and heterogeneous models (e.g., different grids, equations, dimensions, physics, surrogate and reduced-order models). While computational efficiency is key in this context, multi-output strategies in multilevel/multifidelity methods are either sub-optimal or non-existent. In this paper we extend multilevel best linear unbiased estimators (MLBLUE) to multi-output forward UQ problems and we present new semidefinite programming formulations for their optimal setup. Not only do these formulations yield the optimal number of samples required, but also the optimal selection of low-fidelity models to use. While existing MLBLUE approaches are single-output only and require a non-trivial nonlinear optimization procedure, the new multi-output formulations can be solved reliably and efficiently. Here, we demonstrate the efficacy of the new methods and formulations in practical UQ problems with model heterogeneity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Effects of fiber dosage, loading orientation and stress on frequency response of enhanced Carbon Nano-Fiber Aggregates

Nanomaterial additives have been broadly used in cement and concrete-based sensors to measure the stress and strain in the structure. Most of the studies focused on measuring the resistivity of sensors with Direct Current (DC) or relatively low-frequency. Here in this work, the impedance responses of enhanced Carbon Nano-Fiber Aggregates (CNFAs) at different frequencies are rigorously studied and utilized as a tool for real-time structural health monitoring (SHM). The CNFA impedance measurements at different measurement frequencies provide an extra dimension (frequency dimension) to allow the characterization of different phenomena and multimodal measurements simultaneously. First, a comprehensive physical model is established to understand the frequency responses of the CNFA impedance. Second, COMSOL Multiphysics is used to simulate the frequency responses of the CNFA impedance, which provides more insights into the electric field and current density distribution. The impedance of CNFAs decreased with the increased dosage of carbon nanofibers (CNFs). Third, experimental studies are reported in detail. The electrical impedance variation (EZV) of the CNFA in parallel orientation is 151% higher than that of perpendicular orientation at the frequency of 2612 Hz and uniaxial compression stress of 4.65 MPa. The strain-EZV curve obtained from the response spectrum is linear for frequencies ranging from 98 Hz to 463.9 kHz. The strain-EZV curve for 5625 Hz has a linear fit with the gauge factor of 147.78. At 1000 Hz, the CNFA exhibited a repeatable behavior up to 9.35 MPa and detection limit up to the stress of 18.62 MPa.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A correlation-based approach for evaluating mechanical properties of nuclear fuel cladding tubes

The present work offers and evaluates a correlation-based approach to determine the tensile properties of nuclear fuel cladding tubes. A set of model materials with known properties (i.e., austenitic and ferritic steels, fcc- and hcp-alloys) were tested to build a correlation between conventional tensile tests and ring (hoop) and tube (axial) tests. It was shown that close-to-linear relationships exist for the basic mechanical properties (i.e., yield and ultimate stress, uniform and total elongation) between the uniaxial tensile test data and the ring and tube test data. Using the ring and tube specimen geometries, the feasibility of the approach was demonstrated via manufacturing and testing specimens from irradiated Zr and FeCrAl nuclear fuel cladding tubes. Limitations caused by specific deformation mechanisms (e.g., high ductility of 304L steel) were discussed in detail. The approach can be extended to other tubular products with different geometry and dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Design and evaluation of large area strip sensor prototypes for the ATLAS Inner Tracker detector

The ATLAS community is facing the last stages prior to the production of the upgraded silicon strip Inner Tracker for the High-Luminosity Large Hadron Collider. An extensive Market Survey was carried out in order to evaluate the capability of different foundries to fabricate large area silicon strip sensors, satisfying the ATLAS specifications. The semiconductor manufacturing company, Infineon Technologies AG, was one of the two foundries, along with Hamamatsu Photonics K.K., that reached the last stage of the evaluation for the production of the new devices. The full prototype wafer layout for the participation of Infineon, called ATLAS17LS-IFX, was designed using a newly developed Python-based Automatic Layout Generation Tool, able to rapidly design sensors with different characteristics and dimensions based on a few geometrical and technological input parameters. Here we present the layout design process and the results obtained from the evaluation of the new Infineon large area sensors before and after proton and neutron irradiations, up to fluences expected in the inner layers of the future ATLAS detector.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Design Principles for the Synthesis of Self-Pillared ZSM-5 Zeolite Nanosheets

The design of next-generation materials for emerging energy and environmental applications heavily relies on empirical approaches to direct nonclassical nucleation and crystal growth pathways, polymorphism, intercrystalline transformations, and seed-assisted growth processes. A long-standing obstacle to nanoporous materials design is the complexity of their crystallization, which hinders the development of predictive models and/or physical descriptors that can guide their synthesis. In this study, we use a combination of state-of-the-art synthesis, characterization, and computational design to prepare hierarchical MFI-type zeolites, which we couple with benchmark catalytic testing to assess structure-property-performance relationships. These hierarchical materials are intergrowths of two commercially relevant zeolite frameworks, MFI and MEL, prepared as self-pillared pentasil (SPP) zeolites through seed-assisted, organic-free syntheses for which little theoretical guidance existed. Here, by comparing a large library of zeolite seeds with different pore sizes, dimensions, and structural composite building units, we determined the relative impact of seed and silica source selection, among other synthesis variables. Combined experimental and computational studies are used to test several hypotheses in literature to rationalize the choice of seed structure and establish a more robust selection criteria for seed-assisted synthesis of zeolites. Specifically, we show that a data-driven approach to develop structural descriptors correlates to new, facile routes to rationally design SPP zeolites, addressing knowledge gaps in the fundamental understanding of (non)classical crystal growth mechanisms that are characteristic of nanoporous aluminosilicates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deconstructing criterion a of the alternative model for personality disorders.

Here, the construct composition of the Level of Personality Functioning Scale (LPFS; Criterion A) of the Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition alternative model for personality disorders (American Psychiatric Association, 2013) was examined in a clinical vignette rating study. Multiple indices of level of personality functioning, psychiatric and psychosocial impairment, Criterion B maladaptive personality traits, and conceptually divergent variables (intellectual level, socioeconomic status, and likability) were used to deconstruct the LPFS. Most variables were highly intercorrelated, but partial correlational analyses showed the LPFS possesses meaningful personality construct variance not fully explained by severity of pathological traits, psychiatric and psychosocial impairment, or the conceptually divergent variables. This exploratory study offers initial evidence that the LPFS contains substantive LPF variance beyond PD severity. Results are framed and discussed in terms of the known conceptual and empirical overlap between Criterion A and Criterion B as well as the differing ways a dimension of personality disorder (PD) severity may be interpreted. Finally, we propose the LPFS is more than statistical artifact created by empirical covariation but less than a true latent dimension of PD severity. The LPFS may be understood as a methodologically pragmatic but theoretically substantive dimension of PD severity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

A novel hardmask-to-substrate pattern transfer method for creating 3D, multi-level, hierarchical, high aspect-ratio structures for applications in microfluidics and cooling technologies

Abstract This letter solves a major hurdle that mars photolithography-based fabrication of micro-mesoscale structures in silicon. Conventional photolithography is usually performed on smooth, flat wafer surfaces to lay a 2D design and subsequently etch it to create single-level features. It is, however, unable to process non-flat surfaces or already etched wafers and create more than one level in the structure. In this study, we have described a novel cleanroom-based process flow that allows for easy creation of such multi-level, hierarchical 3D structures in a substrate. This is achieved by introducing an ultra-thin sacrificial silicon dioxide hardmask layer on the substrate which is first 3D patterned via multiple rounds of lithography. This 3D pattern is then scaled vertically by a factor of 200–300 and transferred to the substrate underneath via a single shot deep etching step. The proposed method is also easily characterizable—using features of different topographies and dimensions, the etch rates and selectivities were quantified; this characterization information was later used while fabricating specific target structures. Furthermore, this study comprehensively compares the novel pattern transfer technique to already existing methods of creating multi-level structures, like grayscale lithography and chip stacking. The proposed process was found to be cheaper, faster, and easier to standardize compared to other methods—this made the overall process more reliable and repeatable. We hope it will encourage more research into hybrid structures that hold the key to dramatic performance improvements in several micro-mesoscale devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Initial Assessment of 3D-Printed Molybdenum Lattices as a Substrate for Liquid Metal Plasma-Facing Components

Many liquid metal plasma-facing component concepts for fusion reactors require a capillary porous material to wick the liquid metal to the surface of the component. In this work, samples of 3D-printed molybdenum lattices designed to have pore sizes ranging from 100 to 1000 µm were fabricated by two different suppliers. The dimensions of the lattice structures were characterized using an optical microscope, revealing that the lattice walls were almost systematically thicker than they were designed to be and in turn the pores are all smaller than they were designed to be. In many cases the pores were completely clogged. Several spectroscopic techniques were used to characterize the chemical composition of the materials, collectively indicating the presence of a thick layer of oxygen-rich material extending more than 1 µm below the surface. Compression testing revealed significant asymmetry in the mechanical behavior depending on which direction the force was applied relative to the print direction. Lastly, lithium wetting tests of several lattice samples were performed, and a sample with ~250-µm pores was found to soak up lithium quickly after initial wetting of the surface occurred. The implications of these results for future liquid metal plasma-facing component design are discussed.

Parsons, Matthew S. [Princeton Plasma Physics Labo↗
DOE OSTI2025

Tidal Love numbers of analog black holes

Tidal Love numbers quantify the conservative static response of compact objects to external tidal fields, and are found to vanish exactly for asymptotically flat black holes in four-dimensional general relativity. Many aspects of the physics of black holes have an analog in the theory of supersonic acoustic flows, including the existence of an event horizon and associated phenomena, such as quasinormal modes and superradiance. In this paper, we investigate the tidal Love numbers of acoustic black holes in different number of dimensions. We find that they exhibit a number of similar properties as higher-dimensional general relativistic black holes, such as logarithmic running with radial distance, and vanishing tidal response for special multipole moments. As a result, we show that the latter is a consequence of ladder symmetries, analogous to those identified for black holes.

Classical black holes↗
DOE OSTI2024

Assessing the release, transport, and retention of radioactive aerosols from hypothetical breaches in spent fuel storage canisters

Interim dry storage of spent nuclear fuel involves storing the fuel in welded stainless-steel canisters. Under certain conditions, the canisters could be subjected to environments that may promote stress corrosion cracking leading to a risk of breach and release of aerosol-sized particulate from the interior of the canister to the external environment through the crack. Research is currently under way by several laboratories to better understand the formation and propagation of stress corrosion cracks, however little work has been done to quantitatively assess the potential aerosol release. The purpose of the present work is to introduce a reliable generic numerical model for prediction of aerosol transport, deposition, and plugging in leak paths similar to stress corrosion cracks, while accounting for potential plugging from particle deposition. The model is dynamic (changing leak path geometry due to plugging) and it relies on the numerical solution of the aerosol transport equation in one dimension using finite differences. The model’s capabilities were also incorporated into a Graphical User Interface (GUI) that was developed to enhance user accessibility. Model validation efforts presented in this paper compare the model’s predictions with recent experimental data from Sandia National Laboratories (SNL) and results available in literature. We expect this model to improve the accuracy of consequence assessments and reduce the uncertainty of radiological consequence estimations in the remote event of a through-wall breach in dry cask storage systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1973

Generalize aerodynamic coefficient table storage, checkout and interpolation for aircraft simulation

The set of programs described has been used for rapidly introducing, checking out and very efficiently using aerodynamic tables in complex aircraft simulations on the IBM 360. The preprocessor program reads in tables with different names and dimensions and stores then on disc storage according to the specified dimensions. The tables are read in from IBM cards in a format which is convenient to reduce the data from the original graphs. During table processing, new auxiliary tables are generated which are required for table cataloging and for efficient interpolation. In addition, DIMENSION statements for the tables as well as READ statements are punched so that they may be used in other programs for readout of the data from disc without chance of programming errors. A quick data checking graphical output for all tables is provided in a separate program.

Neuman, F.↗
NASA NTRS1976

Gravitational dynamics of biosystems - Some speculations

The response of organisms to gravity is generally discussed in terms of hypotheses involving sedimentation and other static effects. This paper considers several complex, inhomogeneous fluid-containing systems that are intended to model some possible dynamic effects of gravity on biosystems. It is shown that the presence of gravity may result in modified long range transport, concentration oscillations, and broken symmetries. The magnitude of density-gradient-driven convective transport times, and their ratios to diffusive transport times, are calculated for cell dimensions of six different plant varieties. The results indicate that further investigation of gravitational convection effects may be realistic in some cases and is definitely not in others. The results of this paper should aid in the planning of 'zero-gravity' experiments concerning plant geotropism and bio-materials processing.

Kessler, J. O.↗
NASA NTRS1984

Two-dimensional computer simulation of EMVJ and grating solar cells under AMO illumination

A computer program, SCAP2D (Solar Cell Analysis Program in 2-Dimensions), is used to evaluate the Etched Multiple Vertical Junction (EMVJ) and grating solar cells. The aim is to demonstrate how SCAP2D can be used to evaluate cell designs. The cell designs studied are by no means optimal designs. The SCAP2D program solves the three coupled, nonlinear partial differential equations, Poisson's Equation and the hole and electron continuity equations, simultaneously in two-dimensions using finite differences to discretize the equations and Newton's Method to linearize them. The variables solved for are the electrostatic potential and the hole and electron concentrations. Each linear system of equations is solved directly by Gaussian Elimination. Convergence of the Newton Iteration is assumed when the largest correction to the electrostatic potential or hole or electron quasi-potential is less than some predetermined error. A typical problem involves 2000 nodes with a Jacobi matrix of order 6000 and a bandwidth of 243.

Gray, J. L.↗