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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Solution of the two-dimensional Euler equations with generalized coordinate transformation using flux vector splitting

An implicit finite difference code using flux vector splitting has been developed for solving the two-dimensional inviscid gas dynamics equations. The method is spatially second-order acurate, fully conservative, and uses body-conforming generalized coordinates for treating complex geometries. Numerical results have been obtained for transonic flow over a circular cylinder and airfoils. Steady results for a half cylinder (top and bottom symmetry-imposed) range from critical flow to a strong shock case with rotationally induced flow separation. Full cylinder solutions at freestream Mach number values of 0.5, however, show unsteady oscillation. A perturbation form of the method has also been developed and used to compute both fore and aft inviscid flow separation about a cylinder for a nonuniform incoming stream.

Buning, P. G.↗
DOE OSTI2024

Broadband Rotational Spectroscopy in Uniform Supersonic Flows: Chirped Pulse/Uniform Flow for Reaction Dynamics and Low Temperature Kinetics

ConspectusThe study of gas-phase chemical reactions at very low temperatures first became possible with the development and implementation of the CRESU (French acronym for Reaction Kinetics in Uniform Supersonic Flows) technique. CRESU relies on a uniform supersonic flow produced by expansion of a gas through a Laval (convergent-divergent) nozzle to produce a wall-less reactor at temperatures from 10 to 200 K and densities of 1016-1018 cm-3 for the study of low temperature kinetics, with particular application to astrochemistry. In recent years, we have combined uniform flows with revolutionary advances in broadband rotational spectroscopy to yield an instrument that affords near-universal detection for novel applications in photodissociation, reaction dynamics, and kinetics. This combination of uniform supersonic flows with chirped-pulse Fourier-transform microwave spectroscopy (Chirped-Pulse/Uniform Flow, CPUF) permits detection of any species with a modest dipole moment, thermalized to the uniform temperature of the gas flow, with isomer, conformer, and vibrational state specificity. In addition, the use of broadband, high-resolution, and time-dependent (microsecond time scale) micro- and mm-wave spectroscopy makes it an ideal tool for characterizing both transient and stable molecules, as well as studying their spectroscopy and dynamics.In this Account, we review recent advances made using the CPUF technique, including studies of photodissociation, radical-radical reaction dynamics, and low temperature kinetics. These studies highlight both the strength of universal and multiplexed detection and the challenges of coupling it to a high-density collisional environment. Product branching and product evolution as a function of time have been measured for astrochemically relevant systems, relying on the detailed characterization of these flow conditions via experiments and fluid dynamics simulations. In the photodissociation of isoxazole, an unusual heterocyclic molecule with a very low-energy conical intersection, we have identified 7 products in 5 reaction channels and determined the product branching, pointing to both direct and indirect pathways. We have also approached the same system from separated NO and C3H3 reactants to explore a broader range of the potential energy surface, demonstrating the power of multichannel branching measurements for complex radical-radical reactions. We determined the product branching in the C3H2 isomers in the photodissociation of the propargyl radical and identified the importance of a hydrogen atom catalyzed isomerization to the lowest energy cyclic form. This then motivated a study of direct D-H exchange reaction in radicals, in which we demonstrate that it is an important and overlooked pathway for deuterium fractionation in astrochemical environments. Recently, we have shown the measurement of low temperature kinetics inside an extended Laval nozzle, after which a shock-free secondary expansion to low temperature and density affords an ideal environment for detection by rotational spectroscopy. These results highlight the power and potential of the CPUF approach, and future prospects will also be discussed in light of these developments.

Dias, Nureshan↗
NASA NTRS2001

Testing Linear Temporal Logic Formulae on Finite Execution Traces

We present an algorithm for efficiently testing Linear Temporal Logic (LTL) formulae on finite execution traces. The standard models of LTL are infinite traces, reflecting the behavior of reactive and concurrent systems which conceptually may be continuously alive. In most past applications of LTL. theorem provers and model checkers have been used to formally prove that down-scaled models satisfy such LTL specifications. Our goal is instead to use LTL for up-scaled testing of real software applications. Such tests correspond to analyzing the conformance of finite traces against LTL formulae. We first describe what it means for a finite trace to satisfy an LTL property. We then suggest an optimized algorithm based on transforming LTL formulae. The work is done using the Maude rewriting system. which turns out to provide a perfect notation and an efficient rewriting engine for performing these experiments.

Havelund, Klaus↗
NASA NTRS2001

Monitoring Programs Using Rewriting

We present a rewriting algorithm for efficiently testing future time Linear Temporal Logic (LTL) formulae on finite execution traces, The standard models of LTL are infinite traces, reflecting the behavior of reactive and concurrent systems which conceptually may be continuously alive in most past applications of LTL, theorem provers and model checkers have been used to formally prove that down-scaled models satisfy such LTL specifications. Our goal is instead to use LTL for up-scaled testing of real software applications, corresponding to analyzing the conformance of finite traces against LTL formulae. We first describe what it means for a finite trace to satisfy an LTL property end then suggest an optimized algorithm based on transforming LTL formulae. We use the Maude rewriting logic, which turns out to be a good notation and being supported by an efficient rewriting engine for performing these experiments. The work constitutes part of the Java PathExplorer (JPAX) project, the purpose of which is to develop a flexible tool for monitoring Java program executions.

Havelund, Klaus↗
NASA NTRS1986

Three-Dimensional Grids for Flow-Field Calculations

New procedure generates boundary-conforming three-dimensional grids suitable for calculating flow fields around bodies with complex shapes. Extension of earlier methods limited to mapping two-dimensional flow regions onto rectangular grids in transformed planes. Technique also useful in solving thermodynamic and electrostatic fields near complex surfaces.

Thomas, P. D.↗
DOE OSTI2025

Information theory optimization of signals from small-angle scattering measurements

Small-angle X-ray scattering (SAXS) of particles in solution informs on the conformational states and assemblies of biological macromolecules (bioSAXS) outside of cryo- and solid-state conditions. In bioSAXS, the SAXS measurement under dilute conditions is resolution limited, and through an inverse Fourier transform, the measured SAXS intensities directly relate to the physical space occupied by the particles via the P (r)-distribution. Yet, this inverse transform of SAXS data has been historically cast as an ill-posed, ill-conditioned problem requiring an indirect approach. Here, we show that through the applications of matrix and information theories, the inverse transform of SAXS intensity data is a well-conditioned problem. The so-called ill-conditioning of the inverse problem is directly related to the Shannon number. By exploiting the oversampling enabled by modern detectors, a direct inverse Fourier transform of the SAXS data is possible, provided the recovered information does not exceed the Shannon number. The Shannon limit corresponds to the maximum number of significant singular values that can be recovered in a SAXS experiment, suggesting this relationship is a fundamental property of band-limited inverse integral transform problems. This correspondence reduces the complexity of the inverse problem to the Shannon limit and maximum dimension. We propose a hybrid scoring function using an information theory framework that assesses both the quality of the model-data fit as well as the quality of the recovered P (r)-distribution. The hybrid score utilizes the Akaike information criteria and Durbin-Watson statistic that considers parameter-model complexity, i.e., degrees of freedom, and the randomness of the model-data residuals. The described tests and findings extend the boundaries for bioSAXS by completing the information theory formalism initiated by Peter B. Moore to enable a quantitative measure of resolution in SAXS, robustly determine maximum dimension, and more precisely define the best parameter model appropriately representing the observed scattering data.

Rambo, Robert P. [Science and Technology Facilitie↗
NASA NTRS1992

Electromagnetic characterization of conformal antennas

The ultimate objective of this project is to develop a new technique which permits an accurate simulation of microstrip patch antennas or arrays with various feed, superstrate and/or substrate configurations residing in a recessed cavity whose aperture is planar, cylindrical or otherwise conformed to the substructure. The technique combines the finite element and boundary integral methods to formulate a system suitable for solution via the conjugate gradient method in conjunction with the fast Fourier transform. The final code is intended to compute both scattering and radiation patterns of the structure with an affordable memory demand. With upgraded capabilities, the four included papers examined the radar cross section (RCS), input impedance, gain, and resonant frequency of several rectangular configurations using different loading and substrate/superstrate configurations.

Volakis, John L.↗
NASA NTRS2005

High-resolution spectroscopy of H2SO4, HDSO4, and D2SO4 vapor in the region 1200-10,000 cm(-1)

The high-resolution (0.05 cm(-1)) spectra of gas-phase H2SO4, HDSO4, and D2SO4 were measured over the frequency region 1200-10,000 cm(-1) using Fourier-transform infrared spectroscopy. The increased resolution of this work compared with previous studies has lead to an improved vibrational analysis of H2SO4. This study has answered unresolved questions about combination bands and overlapping features from previous gas-phase spectroscopic studies of H2SO4 and marks the first experimental measurement of the nu8 and nu15 torsional vibrations in this molecule. This work leads to a brief discussion on vibrational mode mixing in sulfuric acid.

Deuterium/chemistry↗
NASA NTRS2002

Expression and affinity purification of recombinant proteins from plants

With recent advances in plant biotechnology, transgenic plants have been targeted as an inexpensive means for the mass production of proteins for biopharmaceutical and industrial uses. However, the current plant purification techniques lack a generally applicable, economic, large-scale strategy. In this study, we demonstrate the purification of a model protein, beta-glucuronidase (GUS), by employing the protein calmodulin (CaM) as an affinity tag. In the proposed system, CaM is fused to GUS. In the presence of calcium, the calmodulin fusion protein binds specifically to a phenothiazine-modified surface of an affinity column. When calcium is removed with a complexing agent, e.g., EDTA, calmodulin undergoes a conformational change allowing the dissociation of the calmodulin-phenothiazine complex and, therefore, permitting the elution of the GUS-CaM fusion protein. The advantages of this approach are the fast, efficient, and economical isolation of the target protein under mild elution conditions, thus preserving the activity of the target protein. Two types of transformation methods were used in this study, namely, the Agrobacterium-mediated system and the viral-vector-mediated transformation system. Copyright 2002 Elsevier Science (USA).

Non-NASA Center↗
DOE OSTI2025

Quantum Adiabatic Optimization with Rydberg Arrays: Localization Phenomena and Encoding Strategies

Quantum adiabatic optimization seeks to solve combinatorial problems using quantum dynamics, requiring the Hamiltonian of the system to align with the problem of interest. However, these Hamiltonians are often incompatible with the native constraints of quantum hardware, necessitating encoding strategies to map the original problem into a hardware-conformant form. While the classical overhead associated with such mappings is easily quantifiable and typically polynomial in problem size, it is much harder to quantify their overhead on the quantum algorithm, e.g., the transformation of the adiabatic timescale. In this work, we address this challenge on the concrete example of the encoding scheme proposed in [Nguyen , PRX Quantum , 010316 (2023)], which is designed to map optimization problems on arbitrarily connected graphs into Rydberg atom arrays. We consider the fundamental building blocks underlying this encoding scheme and determine the scaling of the minimum gap with system size along adiabatic protocols. Even when the original problem is trivially solvable, we find that the encoded problem can exhibit an exponentially closing minimum gap. We show that this originates from a quantum coherent effect, which gives rise to an unfavorable localization of the ground-state wave function. On the QuEra Aquila neutral atom machine, we observe such localization and its effect on the success probability of finding the correct solution to the encoded optimization problem. Finally, we propose quantum-aware modifications of the encoding scheme that avoid this quantum bottleneck and lead to an exponential improvement in the adiabatic performance. This highlights the crucial importance of accounting for quantum effects when designing strategies to encode classical problems onto quantum platforms. Published by the American Physical Society 2025

Bombieri, Lisa (ORCID:0009000950422897)↗
NASA NTRS1989

Analysis of high-incidence separated flow past airfoils

An unsteady Navier-Stokes (NS) analysis is developed and used to carefully examine high-incidence aerodynamic separated flows past airfoils. Clustered conformal C-grids are employed for the 12 percent thick symmetric Joukowski airfoil as well as for the NACA 0012 airfoil with a sharp trailing edge. The clustering is controlled by appropriate one-dimensional stretching transformations. An attempt is made to resolve many of the dominant scales of an unsteady flow with massive separation, while maintaining the transformation metrics to be smooth and continuous in the entire flow field. A fully implicit time-marching alternating-direction implicit-block Gaussian elimination (ADI-BGE) method is employed, in which no use is made of any explicit artificial dissipation. Detailed results are obtained for massively separated, unsteady flow past symmetric Joukowski and NACA 0012 airfoils.

Chia, K. N.↗
NASA NTRS1990

A modification of the fusion model for log polar coordinates

The fusion mechanism for application in stereo analysis of range restricted the depth of field and therefore required a shift variant mechanism in the peripheral area to find disparity. Misregistration was prevented by restricting the disparity detection range to a neighborhood spanned by the directional edge detection filters. This transformation was essentially accomplished by a nonuniform resampling of the original image in a horizontal direction. While this is easily implemented for digital processing, the approach does not (in the peripheral vision area) model the log-conformal mapping which is known to occur in the human mechanism. This paper therefore modifies the original fusion concept in the peripheral area to include the polar exponential grid-to-log conformal tesselation. Examples of the fusion process resulting in accurate disparity values are given.

Griswold, N. C.↗
DOE OSTI2026

From 2D to 4D: a containerized workflow and browser to explore dynamic chromatin architecture

Background Characterizing the physical organization of the genome is essential for understanding long-range gene regulation, chromatin compartmentalization, and epigenetic accessibility. Hi-C experiments generate two-dimensional (2D) genome-wide contact maps of chromatin interactions by capturing the spatial proximity between genomic loci, which reveal interaction frequencies but lack the spatial resolution needed to interpret the three-dimensional (3D) genome structure(s). Emerging evidence suggests that epigenetic regulation is closely linked to 3D genome architecture, and that structural changes over time (4D) drive key biological processes in development, disease, and environmental response. Thus, integrating 3D structure with functional data is critical for a more complete understanding of genome regulation. Previous work, most notably the 4DHiC chromosome modeling framework, has shown that physical multi-dimensional modeling approaches rooted in polymer physics and molecular dynamics can resolve these structures at biologically meaningful resolutions by integrating temporal Hi-C data with physical constraints to uncover dynamic chromosome reorganization. Thus, molecular dynamics simulations, constrained by Hi-C contact matrices, can resolve fine-scale structural changes and reveal functionally significant transitions in chromatin conformation. Results Herein, we present the 4D Genome Browser Workflow (4DGBWorkflow) and the 4D Genome Browser (4DGB). The algorithm is based on the 4DHiC method, and the containerized tool is an end-to-end workflow that can transform, filter, and view 4D epigenomics and chromatin datasets, allowing non-specialists to apply three-dimensional modeling principles to diverse datasets and experimental conditions. The software executes on a laptop running macOS, Linux or Windows. From input Hi-C files (.hic), the 4DGBWorkflow produces 3D reconstructions of chromosomes, integrates the reconstruction with track data (e.g., epigenetic marks, transcriptome profiles), and provides comparative visualization of the results in a single workflow. Conclusions The 4DGBWorkflow and 4D Genome Browser are open-source tools for comparative analysis and visualization of 4D chromosome datasets, including chromatin architecture and epigenomic signals. Automatic integration of Hi-C data with molecular dynamics democratizes the construction of time resolved 3D genome structures, simplifying complex simulations and data integration schemes.

3D Genome Browser↗
NASA NTRS1977

Transformations from an oblate spheroid to a plane and vice versa: The equations used in the cartographic projection program MAP2

The relationships between the coordinates of a point on the surface on an oblate spheroid and the coordinates of the projection of that point in several common map projections are discussed. Because several of the projections are conformal, the theory of conformally mapping an oblate spheroid to the plane is summarized. For each projection considered, the equations which map the spheroid to the plane and their inverses are given.

Elliott, D. A.↗
DOE OSTI2025

A transient near to far field transformation method and verification benchmarking procedure

The numerical calculation of electromagnetic far fields in the time-domain requires a near to far field transformation (NTFF) method. While time-domain NTFF methods for popular finite-difference time-domain (FDTD) approaches are well established, there is little discourse on NTFF methods for finite-element time-domain (FETD) codes. Here, this work is concerned with the development of an NTFF method for the Empire FETD code, which utilizes curl and divergence conforming elements. This discretization presents a difficulty in obtaining the equivalent electric current for the NTFF. Straightforward finite element interpolation of the fields is shown to give poor accuracy. Alternative interpolation methods are recommended. An expanding magnetic quadrupole pulse benchmark problem, which is fully developed in the appendices, provides the basis for quantitative comparison.

FETD↗
NASA NTRS1973

Conformal mapping technique for two-dimensional porous media and jet impingement heat transfer

Transpiration cooling and liquid metals both provide highly effective heat transfer. Using Darcy's law in porous media, and the inviscid approximation for liquid metals, the local fluid velocity in these flows equals the gradient of a potential, The energy equation and flow region are simplified when transformed into potential plane coordinates. In these coordinates the present problems are reduced to heat conduction solutions which are mapped into the physical geometry. Results are obtained for a porous region with simultaneously prescribed surface temperature and heat flux, heat transfer in a two-dimensional porous bed, and heat transfer for two liquid metal slot jets impinging on a heated plate.

Siegel, R.↗
NASA NTRS1974

Conformal mapping technique for two-dimensional porous media and jet impingement heat transfer

Transpiration cooling and liquid metals both provide highly effective heat transfer. Using Darcy's law in porous media and the inviscid approximation for liquid metals, the local fluid velocity in these flows equals the gradient of a potential. The energy equation and flow region are simplified when transformed into potential plane coordinates. In these coordinates, the present problems are reduced to heat conduction solutions which are mapped into the physical geometry. Results are obtained for a porous region with simultaneously prescribed surface temperature and heat flux, heat transfer in a two-dimensional porous bed, and heat transfer for two liquid metal slot jets impinging on a heated plate.

Siegel, R.↗
NASA NTRS1987

Lewis inverse design code (LINDES): Users manual

The method of complex characteristics and hodograph transformation for the design of shockless airfoils was introduced by Bauer, Garabedian, and Korn and has been extended by the author to design subcritical and supercritical cascades with high solidities and large inlet angles. This new capability was achieved by introducing a new conformal mapping of the hodograph domain onto an ellipse and expanding the solution in terms of Chebyshev polynomials. A new computer code, the NASA Lewis inverse design code, was developed based on this idea. This new design code is an efficient method for the design of airfoils in cascade. In particular, the design of subcritical cascades of airfoils is a very fast, robust, and versatile process. The inverse design code can be made to interact with a turbulent boundary layer calculation to obtain airfoils with no separated flows at the design condition. This report is intended to serve as a users manual for this design code. Material previously reported by the author is included here for completeness and quick access to the user. The manual contains a description of the method followed by a discussion of the design procedure and examples. The input parameters necessary to run the code are then described and their default values given. Output listings corresponding to six different blade shapes designed with the code are given, as well as the necessary input data to reproduce the computer runs. The examples have been chosen to show that a wide range of applications can be covered with the code, ranging from supercritical propeller sections to wind tunnel turning vanes that can operate with a large inlet flow angle range.

Sanz, Jose M.↗