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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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NASA NTRS1990

Method of forming three-dimensional semiconductor structures

Silicon and metal are coevaporated onto a silicon substrate in a molecular beam epitaxy system with a larger than stoichiometric amount of silicon so as to epitaxially grow columns of metal silicide embedded in a matrix of single crystal, epitaxially grown silicon. Higher substrate temperatures and lower deposition rates yield larger columns that are farther apart while more silicon produces smaller columns. Column shapes and locations are selected by seeding the substrate with metal silicide starting regions. A variety of three-dimensional, exemplary electronic devices are disclosed.

Fathauer, Robert W.↗

DOE OSTI2026

Design and Validation of a Cryogenic Dilatometer

This project focuses on the design and development of a cryogenic dilatometer capable of measuring the thermal expansion of materials at extremely low temperatures. Understanding how materials change dimension with temperature is critical for applications involving cryogenic environments, particularly laminated systems housing superconducting magnets, where small dimensional changes can significantly affect performance and reliability. To address this, a dilatometer system was designed to operate within a liquid nitrogen environment while accurately measuring displacements caused by thermal contraction. The purpose of this device is to determine the coefficient of thermal expansion (CTE) of a material. The design process involved defining functional requirements, developing mechanical and thermal concepts for the measurement apparatus, selecting appropriate materials compatible with cryogenic temperatures, and integrating sensors capable of detecting small dimensional changes. The resulting system aims to provide a practical and repeatable method for evaluating material thermal expansion at cryogenic temperatures, supporting research into composite use in superconducting applications that require accurate characterization of material behavior in low-temperature environments.

Schmitt, Nicholas [Northern Illinois U.]↗

DOE OSTI2016

Dark matter interpretations of ATLAS searches for the electroweak production of supersymmetric particles in $ \sqrt{s}=8 $ TeV proton-proton collisions

A selection of searches by the ATLAS experiment at the LHC for the electroweak production of SUSY particles are used to study their impact on the constraints on dark matter candidates. The searches use 20 fb -1 of proton-proton collision data at √s=8 TeV. A likelihood-driven scan of a five-dimensional effective model focusing on the gaugino-higgsino and Higgs sector of the phenomenological minimal supersymmetric Standard Model is performed. This scan uses data from direct dark matter detection experiments, the relic dark matter density and precision flavour physics results. Further constraints from the ATLAS Higgs mass measurement and SUSY searches at LEP are also applied. A subset of models selected from this scan are used to assess the impact of the selected ATLAS searches in this five-dimensional parameter space. These ATLAS searches substantially impact those models for which the mass m($\tilde{χ}$$0\atop{1}$) of the lightest neutralino is less than 65 GeV, excluding 86% of such models. The searches have limited impact on models with larger m($\tilde{χ}$$0\atop{1}$) due to either heavy electroweakinos or compressed mass spectra where the mass splittings between the produced particles and the lightest supersymmetric particle is small.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Polarization-Independent Optical Broadband Angular Selectivity

Generalizing broadband angular selectivity to both polarizations has been a scientific challenge for a long time. Previous demonstrations of the broadband angular selectivity work only for one polarization. In this paper, we propose a method that can achieve polarization-independent optical broadband angular selectivity. Our design is based on a material system consisting of alternating one-dimensionally anisotropic photonic crystal (1D PhC) stacks and half-wave plates. 1D PhC stacks have an angular photonic band gap for p-polarized light and half-wave plates can convert s-polarized light to p-polarized light. Here, by introducing alternating 1D PhC stacks and half-wave plates, we predict that one can achieve a central transmission angle at normal incidence and an angularly selective range of less than 30° across the whole visible spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules

The partition functions, heat capacities, entropies, and enthalpies of selected molecules were calculated using uncoupled mode (UM) approximations, where the full-dimensional potential energy surface for internal motions was modeled as a sum of independent one-dimensional potentials for each mode. The computational cost of such approaches scales the same with molecular size as standard harmonic oscillator vibrational analysis using harmonic frequencies (HO hf ). To compute thermodynamic properties, a computational protocol for obtaining the energy levels of each mode was established. The accuracy of the UM approximation depends strongly on how the one-dimensional potentials of each modes are defined. If the potentials are determined by the energy as a function of displacement along each normal mode (UM-N), the accuracies of the calculated thermodynamic properties are not significantly improved versus the HO hf model. Significant improvements can be achieved by constructing potentials for internal rotations and vibrations using the energy surfaces along the torsional coordinates and the remaining vibrational normal modes, respectively (UM-VT). For hydrogen peroxide and its isotopologs at 300 K, UM-VT captures more than 70% of the partition functions on average. By con trast, the HO hf model and UM-N can capture no more than 50%. For a selected test set of C2 to C8 linear and branched alkanes and species with different moieties, the enthalpies calculated using the HO hf model, UM-N, and UM-VT are all quite accurate comparing with reference values though the RMS errors of the HO model and UM-N are slightly higher than UM-VT. However, the accuracies in entropy calculations differ significantly between these three models. For the same test set, the RMS error of the standard entropies calculated by UM-VT is 2.18 cal mol -1 K -1 at 1000 K. By contrast, the RMS error obtained using the HO model and UM-N are 6.42 and 5.73 cal mol -1 K -1 , respectively. For a test set composed of nine alkanes ranging from C5 to C8, the heat capacities calculated with the UM-VT model agree with the experimental values to within a RMS error of 0.78 cal mol -1 K -1 , which is less than one-third of the RMS error of the HO hf (2.69 cal mol -1 K -1) and UM-N (2.41 cal mol -1 K -1) models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

Preliminary results on two-dimensional interferometry of HL Tau

Preliminary two-dimensional speckle interferometry results of HL Tau were found to be qualitatively similar to those found with one-dimensional slit scanning techniques; results consist of a resolved component (approximately 0.7 arcsec in size) and an unresolved component. Researchers are currently reducing the rest of the data (taken on three different telescopes and at three different wavelengths) and are also exploring other high resolution methods like the shift and add technique and selecting only the very best images for processing. The availability of even better two-dimensional arrays within the next couple of years promises to make speckle interferometry and other high resolution techniques very powerful and exiting tools for probing a variety of objects in the subarcsec regime.

Tollestrup, Eric V.↗

DOE OSTI2025

Scalable fabrication of Chip-integrated 3D-nanostructured electronic devices via DNA-programmable assembly

DNA-based self-assembly methods have demonstrated powerful and unique capabilities to encode nanomaterial structures through the prescribed placement of inorganic and biological nanocomponents. However, the challenge of selectively growing DNA superlattices on specific locations of surfaces and their integration with conventional nanofabrication has hindered the fabrication of three-dimensional (3D) DNA-assembled functional devices. Here, we present a scalable nanofabrication technique that combines bottom-up and top-down approaches for selective growth of 3D DNA superlattices on gold microarrays. This approach allows for the fabrication of self-assembled 3D-nanostructured electronic devices. DNA strands are bound onto the gold arrays, which anchor DNA origami frames and promote ordered framework growth on the specific areas of the surface, enabling control of the lateral placement and orientation of superlattices. DNA frameworks selectively grown on the pads are subsequently templated to nanoscale silica and tin oxide (SnO x ) that follow the architecture, as confirmed by structural and chemical characterizations. The fabricated SnO x superlattices are integrated into devices that demonstrate photocurrent response.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Uniform-in-phase-space data selection with iterative normalizing flows

Improvements in computational and experimental capabilities are rapidly increasing the amount of scientific data that are routinely generated. In applications that are constrained by memory and computational intensity, excessively large datasets may hinder scientific discovery, making data reduction a critical component of data-driven methods. Datasets are growing in two directions: the number of data points and their dimensionality. Whereas dimension reduction typically aims at describing each data sample on lower-dimensional space, the focus here is on reducing the number of data points. A strategy is proposed to select data points such that they uniformly span the phase-space of the data. The algorithm proposed relies on estimating the probability map of the data and using it to construct an acceptance probability. An iterative method is used to accurately estimate the probability of the rare data points when only a small subset of the dataset is used to construct the probability map. Instead of binning the phase-space to estimate the probability map, its functional form is approximated with a normalizing flow. Therefore, the method naturally extends to high-dimensional datasets. The proposed framework is demonstrated as a viable pathway to enable data-efficient machine learning when abundant data are available.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1998

Design and Performance Calculations of a Propeller for Very High Altitude Flight

Reported here is a design study of a propeller for a vehicle capable of subsonic flight in Earth's stratosphere. All propellers presented were required to absorb 63.4 kW (85 hp) at 25.9 km (85,000 ft) while aircraft cruise velocity was maintained at Mach 0.40. To produce the final design, classic momentum and blade-element theories were combined with two and three-dimensional results from the Advanced Ducted Propfan Analysis Code (ADPAC), a numerical Navier-Stokes analysis code. The Eppler 387 airfoil was used for each of the constant section propeller designs compared. Experimental data from the Langley Low-Turbulence Pressure Tunnel was used in the strip theory design and analysis programs written. The experimental data was also used to validate ADPAC at a Reynolds numbers of 60,000 and a Mach number of 0.20. Experimental and calculated surface pressure coefficients are compared for a range of angles of attack. Since low Reynolds number transonic experimental data was unavailable, ADPAC was used to generate two-dimensional section performance predictions for Reynolds numbers of 60,000 and 100,000 and Mach numbers ranging from 0.45 to 0.75. Surface pressure coefficients are presented for selected angles of attack. in addition to the variation of lift and drag coefficients at each flow condition. A three-dimensional model of the final design was made which ADPAC used to calculated propeller performance. ADPAC performance predictions were compared with strip-theory calculations at design point. Propeller efficiency predicted by ADPAC was within 1.5% of that calculated by strip theory methods, although ADPAC predictions of thrust, power, and torque coefficients were approximately 5% lower than the strip theory results. Simplifying assumptions made in the strip theory account for the differences seen.

Koch, L. Danielle↗

DOE OSTI2013

THE CLUSTERING OF ALFALFA GALAXIES: DEPENDENCE ON H I MASS, RELATIONSHIP WITH OPTICAL SAMPLES, AND CLUES OF HOST HALO PROPERTIES

We use a sample of ≈6000 galaxies detected by the Arecibo Legacy Fast ALFA (ALFALFA) 21 cm survey to measure the clustering properties of H I-selected galaxies. We find no convincing evidence for a dependence of clustering on galactic atomic hydrogen (H I) mass, over the range M{sub H{sub I}} ≈ 10{sup 8.5}-10{sup 10.5} M{sub ☉}. We show that previously reported results of weaker clustering for low H I mass galaxies are probably due to finite-volume effects. In addition, we compare the clustering of ALFALFA galaxies with optically selected samples drawn from the Sloan Digital Sky Survey (SDSS). We find that H I-selected galaxies cluster more weakly than even relatively optically faint galaxies, when no color selection is applied. Conversely, when SDSS galaxies are split based on their color, we find that the correlation function of blue optical galaxies is practically indistinguishable from that of H I-selected galaxies. At the same time, SDSS galaxies with red colors are found to cluster significantly more than H I-selected galaxies, a fact that is evident in both the projected as well as the full two-dimensional correlation function. A cross-correlation analysis further reveals that gas-rich galaxies 'avoid' being located within ≈3 Mpc of optical galaxies with red colors. Next, we consider the clustering properties of halo samples selected from the Bolshoi ΛCDM simulation. A comparison with the clustering of ALFALFA galaxies suggests that galactic H I mass is not tightly related to host halo mass and that a sizable fraction of subhalos do not host H I galaxies. Lastly, we find that we can recover fairly well the correlation function of H I galaxies by just excluding halos with low spin parameter. This finding lends support to the hypothesis that halo spin plays a key role in determining the gas content of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

JGI-Trichoderma v1.0

There is a series of Python and bash scripts to parse genomics datasets used to evaluate the coevolution of gene families and the feature importance of gene families using an SVM classifier. - Cover analysis: takes a list of single-copy genes in a set of genomes, aligns and builds the gene trees to determine if two gene families have a signature of covariation with one another. It parses the files to run phykit cover script described here: https://jlsteenwyk.com/PhyKIT/usage/index.html - SVM-classifier: This Python script is an SVM-based genomic classifier designed for biological data analysis. It combines machine learning with feature selection to identify important genomic markers and classify biological samples. Core Functionality: The script uses Support Vector Machines from scikit-learn to classify genomic data, incorporating SelectKBest for automated feature selection and leave-one-out cross-validation for performance assessment. It operates in multiple modes: feature ranking, optimal combination discovery, and sample prediction. Primary Applications: Genomic sample classification and biomarker discovery Feature importance analysis in high-dimensional biological datasets Prediction of sample categories based on genomic profiles Research applications requiring robust classification of biological data Key Advantages: High-dimensional handling: SVMs excel with genomic data's typical high feature-to-sample ratios Integrated feature selection: Reduces noise and computational overhead while identifying key markers Probability estimation: Provides confidence scores essential for biological interpretation Validation robustness: Leave-one-out cross-validation ensures reliable performance metrics Operational flexibility: Multiple analysis modes support different research phases from exploration to prediction

Stecca Steindorff, Andrei [Lawrence Berkeley Natio↗

NASA NTRS1982

Computation of three-dimensional inviscid flow over hypersonic missile configurations using the GIM code

A three-dimensional computational technique was used to obtain flowfield solutions to the Euler equations over selected hypersonic missile configurations. The General Interpolants Method (GIM) computer code was used with interpolation functions in an algebraic approach to generate a discrete computational grid for each configuration. The spatial marching version of the GIM code, which treats the parabolized Navier-Stokes (PNS) equations or the Euler equations with a shock capturing, 'MacCormack-like' scheme, was used to advance the solution hyperbolically over each configuration. The inviscid flowfield solutions over the two three-dimensional missile configurations, calculated using the GIM hyperbolic scheme, are presented here. The flow field over a wing/body configuration at zero degree angle of attack is presented. Flow over the fuselage of a tactical missile, termed the TAME 10, at both zero degree and 7.5 degree angles of attack is presented. In addition, an inviscid, two-dimensional analysis of an inlet configuration designed to mount on the TAME 10 is included. Contour maps of velocity and pressure are included for each configuration. Comparison of calculation and data show good agreement.

Xiques, K. E.↗

NASA NTRS1991

On computing the global time-optimal motions of robotic manipulators in the presence of obstacles

A method for computing the time-optimal motions of robotic manipulators is presented that considers the nonlinear manipulator dynamics, actuator constraints, joint limits, and obstacles. The optimization problem is reduced to a search for the time-optimal path in the n-dimensional position space. A small set of near-optimal paths is first efficiently selected from a grid, using a branch and bound search and a series of lower bound estimates on the traveling time along a given path. These paths are further optimized with a local path optimization to yield the global optimal solution. Obstacles are considered by eliminating the collision points from the tessellated space and by adding a penalty function to the motion time in the local optimization. The computational efficiency of the method stems from the reduced dimensionality of the searched spaced and from combining the grid search with a local optimization. The method is demonstrated in several examples for two- and six-degree-of-freedom manipulators with obstacles.

Shiller, Zvi↗

DOE OSTI2023

Selective Laser Sintering of Polyolefins

Polyolefins are some of the most produced and used polymers around the globe. They are semi-crystalline thermoplastic polymers known for their low production cost while still exhibiting good mechanical properties and chemical resistance. These polymers are often used in a variety of manufacturing processes, including 3D printing or additive manufacturing (AM). However, due to their semi-crystalline nature, there are often issues with using polyolefins in AM processes (for example, shrinkage leading to dimensional instabilities). One example of an AM process for which polyolefins are of interest is selective laser sintering (SLS), where printability depends on the powdered material’s morphology, flowability, and size. Due to the inherent properties of polyolefins, there are a variety of issues surrounding their use in the SLS process. This paper aims to review the basics of SLS as well the current state of SLS printing of a few polyolefins and what challenges that would need to be overcome to print with these polyolefins.

36 MATERIALS SCIENCE↗

NASA NTRS1975

Effects of selected design variables on three ramp, external compression inlet performance

Two inlet performance tests and one inlet/airframe drag test were conducted in 1969 at the NASA-Ames Research Center. The basic inlet system was two-dimensional, three ramp (overhead), external compression, with variable capture area. The data from these tests were analyzed to show the effects of selected design variables on the performance of this type of inlet system. The inlet design variables investigated include inlet bleed, bypass, operating mass flow ratio, inlet geometry, and variable capture area.

Kamman, J. H.↗

NASA NTRS1986

Transformation of two and three-dimensional regions by elliptic systems

A natural grid is defined on any parameterized curve or surface by selecting an equi-spaced set of parameter values. Redistributing the grid points can be accomplished by defining a new parameterization. Reparameterization techniques are introduced and applied in the construction of computational grids.

Mastin, C. W.↗

DOE OSTI2016

Polynomial meta-models with canonical low-rank approximations: Numerical insights and comparison to sparse polynomial chaos expansions

The growing need for uncertainty analysis of complex computational models has led to an expanding use of meta-models across engineering and sciences. The efficiency of meta-modeling techniques relies on their ability to provide statistically-equivalent analytical representations based on relatively few evaluations of the original model. Polynomial chaos expansions (PCE) have proven a powerful tool for developing meta-models in a wide range of applications; the key idea thereof is to expand the model response onto a basis made of multivariate polynomials obtained as tensor products of appropriate univariate polynomials. The classical PCE approach nevertheless faces the “curse of dimensionality”, namely the exponential increase of the basis size with increasing input dimension. To address this limitation, the sparse PCE technique has been proposed, in which the expansion is carried out on only a few relevant basis terms that are automatically selected by a suitable algorithm. An alternative for developing meta-models with polynomial functions in high-dimensional problems is offered by the newly emerged low-rank approximations (LRA) approach. By exploiting the tensor–product structure of the multivariate basis, LRA can provide polynomial representations in highly compressed formats. Through extensive numerical investigations, we herein first shed light on issues relating to the construction of canonical LRA with a particular greedy algorithm involving a sequential updating of the polynomial coefficients along separate dimensions. Specifically, we examine the selection of optimal rank, stopping criteria in the updating of the polynomial coefficients and error estimation. In the sequel, we confront canonical LRA to sparse PCE in structural-mechanics and heat-conduction applications based on finite-element solutions. Canonical LRA exhibit smaller errors than sparse PCE in cases when the number of available model evaluations is small with respect to the input dimension, a situation that is often encountered in real-life problems. By introducing the conditional generalization error, we further demonstrate that canonical LRA tend to outperform sparse PCE in the prediction of extreme model responses, which is critical in reliability analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Gel‐Derived Amorphous Bismuth–Nickel Alloy Promotes Electrocatalytic Nitrogen Fixation via Optimizing Nitrogen Adsorption and Activation

Abstract To achieve the electrochemical nitrogen reduction reaction (NRR) for efficient and sustainable NH 3 production, catalysts should exhibit high selectivity and activity with optimal adsorption energy. Herein we developed a three‐dimensional (3D) amorphous BiNi alloy toward a significantly enhanced NRR compared with its crystalline and metal counterparts. Ni alloying enables the chemisorption of nitrogen and the lower free‐energy change for the *NNH formation, and the 3D alloy electrocatalyst exhibits high catalytic activity for NH 3 production with a yield rate of 17.5 μg h −1 mg cat −1 and Faradaic efficiency of 13.8 %. The enhanced electron transfer and increased electrochemical surface area were revealed in the interconnected porous scaffold, affording it sufficiently efficient and stable activity for potential practical applications. This work offers new insights into optimizing the adsorption energy of reactants and intermediates combined with tuning the crystallinity of NRR electrocatalysts.

Fang, Zhiwei↗