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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

General Approach to Solving Spin Moiré Superstructures

Recently, a host of exciting magnetic textures such as topologically protected skyrmion lattices has been discovered in several bulk metallic lanthanide compounds. In addition to hosting skyrmion phases, a hallmark of this class of materials is the appearance of numerous spin textures characterized by superposition of multiple magnetic modulations: spin moiré superlattices. In order to understand the multitude of complex phases often present in these materials, we require a general-purpose experimental and theoretical framework. Here, we demonstrate such an approach in EuAg4⁢Sb2 by comprehensively characterizing and modeling its three complex zero-field magnetic textures. Systematic symmetry-breaking experiments using uniaxial strain determine that the ground-state incommensurate magnetic phase (ICM1) is single 𝑞, meaning the magnetic moments modulate along one magnetic propagation vector. In contrast, ICM2 and ICM3 are both double 𝑞, meaning they are formed from the superposition of two sinusoidal spin modulations, i.e., spin moiré superlattices. Further, through application of polarized small-angle neutron scattering and spherical neutron polarimetry, we demonstrate that ICM1 is a single-𝑞 cycloid and ICM2 and ICM3 are double-𝑞 vortex lattices. Despite the quasi-two-dimensional nature of EuAg4⁢Sb2, the modulations propagate out of the ab plane, leading to a shift of the spin texture between triangular lattice planes. Further, the ICM3 to ICM2 transition includes an unusual 45° rotation of the magnetic vortex lattice. Motivated by the coexistence of such drastically different phases in this compound, we conclude by developing a phenomenological model that sheds light on the energetic origins of these varied phases. Our experimental probes and theoretical modeling definitively characterize three different and tunable phases in one material and provide insight for the design of topological spin-texture materials.

Neves, Paul [Massachusetts Institute of Technology↗
DOE OSTI2024

A three-point velocity estimation method for two-dimensional coarse-grained imaging data

Time delay and velocity estimation methods have been widely studied subjects in the context of signal processing, with applications in many different fields of physics. The velocity of waves or coherent fluctuation structures is commonly estimated as the distance between two measurement points divided by the time lag that maximizes the cross correlation function between the measured signals, but this is demonstrated to result in erroneous estimates for two spatial dimensions. We present an improved method to accurately estimate both components of the velocity vector, relying on three non-aligned measurement points. We introduce a stochastic process describing the fluctuations as a superposition of uncorrelated pulses moving in two dimensions. Using this model, we show that the three-point velocity estimation method, using time delays calculated through cross correlations, yields the exact velocity components when all pulses have the same velocity. The two- and three-point methods are tested on synthetic data generated from realizations of such processes for which the underlying velocity components are known. The results reveal the superiority of the three-point technique. Finally, we demonstrate the applicability of the velocity estimation on gas puff imaging data of strongly intermittent plasma fluctuations due to the radial motion of coherent, blob-like structures at the boundary of the Alcator C-Mod tokamak.

Materials Science↗
NASA NTRS2013

Direct Simulation of Extinction in a Slab of Spherical Particles

The exact multiple sphere superposition method is used to calculate the coherent and incoherent contributions to the ensemble-averaged electric field amplitude and Poynting vector in systems of randomly positioned nonabsorbing spherical particles. The target systems consist of cylindrical volumes, with radius several times larger than length, containing spheres with positional configurations generated by a Monte Carlo sampling method. Spatially dependent values for coherent electric field amplitude, coherent energy flux, and diffuse energy flux, are calculated by averaging of exact local field and flux values over multiple configurations and over spatially independent directions for fixed target geometry, sphere properties, and sphere volume fraction. Our results reveal exponential attenuation of the coherent field and the coherent energy flux inside the particulate layer and thereby further corroborate the general methodology of the microphysical radiative transfer theory. An effective medium model based on plane wave transmission and reflection by a plane layer is used to model the dependence of the coherent electric field on particle packing density. The effective attenuation coefficient of the random medium, computed from the direct simulations, is found to agree closely with effective medium theories and with measurements. In addition, the simulation results reveal the presence of a counter-propagating component to the coherent field, which arises due to the internal reflection of the main coherent field component by the target boundary. The characteristics of the diffuse flux are compared to, and found to be consistent with, a model based on the diffusion approximation of the radiative transfer theory.

spheres↗
NASA NTRS1991

Microwave absorption by a lossy dielectric sphere in a rectangular cavity

A new theory of absorption of microwave power by a lossy dielectric sphere in a resonant rectangular chamber is developed here. In this treatment, resonant modes of the cavity are resolved into traveling plane-wave fields, and Mie's theory of scattering and absorption of a plane electromagnetic wave by a sphere is utilized. The fields in the cavity containing the sphere are found by superposition of results for the individual scattering problem for each traveling plane wave. Absorbed power is then calculated by evaluating the time-averaged Poynting vector and integrating over the surface of the sphere. Applications of microwave power absorption are discussed, with particular emphasis on processing of materials. Numerical studies based on the newly derived formulas are presented. The results exhibit the manner in which microwave absorption is influenced by a number of different experimentally controllable parameters. The examples considered were chosen with a view toward designing experiments and apparatus for containerless processing of materials in the microgravity environment of space.

Jackson, H. W.↗
DOE OSTI2022

Coherent manipulation of graph states composed of finite-energy Gottesman-Kitaev-Preskill-encoded qubits

Graph states are a central resource in measurement-based quantum information processing. In the photonic qubit architecture based on Gottesman-Kitaev-Preskill (GKP) encoding, the generation of high-fidelity graph states composed of realistic, finite-energy approximate GKP-encoded qubits thus constitutes a key task. We consider the finite-energy approximation of GKP-qubit states given by a coherent superposition of shifted finite-squeezed vacuum states, where the displacements are Gaussian distributed. We present an exact description of graph states composed of such approximate GKP qubits as a coherent superposition of a Gaussian ensemble of randomly displaced ideal GKP-qubit graph states. Using standard Gaussian dynamics, we track the transformation of the covariance matrix and the mean-displacement vector elements of the Gaussian distribution of the ensemble under tools such as GKP-Steane error-correction and fusion operations that can be used to grow large high-fidelity GKP-qubit graph states. The covariance matrix elements capture the noise in the graph state due to the finite-energy approximation of GKP qubits, while the mean displacements relate to the possible absolute shift errors on the individual qubits arising conditionally from the homodyne measurements that are a part of these tools. Our work thus pins down an exact coherent error model for graph states generated from truly finite-energy GKP qubits, which can shed light on their error-correction properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Recent advances in electronic structure theory and their influence on the accuracy of ab initio potential energy surfaces

Recent advances in electronic structure theory and the availability of high speed vector processors have substantially increased the accuracy of ab initio potential energy surfaces. The recently developed atomic natural orbital approach for basis set contraction has reduced both the basis set incompleteness and superposition errors in molecular calculations. Furthermore, full CI calculations can often be used to calibrate a CASSCF/MRCI approach that quantitatively accounts for the valence correlation energy. These computational advances also provide a vehicle for systematically improving the calculations and for estimating the residual error in the calculations. Calculations on selected diatomic and triatomic systems will be used to illustrate the accuracy that currently can be achieved for molecular systems. In particular, the F+H2 yields HF+H potential energy hypersurface is used to illustrate the impact of these computational advances on the calculation of potential energy surfaces.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1989

Recent advances in electronic structure theory and their influence on the accuracy of ab initio potential energy surfaces

Recent advances in electronic structure theory and the availability of high speed vector processors have substantially increased the accuracy of ab initio potential energy surfaces. The recently developed atomic natural orbital approach for basis set contraction has reduced both the basis set incompleteness and superposition errors in molecular calculations. Furthermore, full CI calculations can often be used to calibrate a CASSCF/MRCI approach that quantitatively accounts for the valence correlation energy. These computational advances also provide a vehicle for systematically improving the calculations and for estimating the residual error in the calculations. Calculations on selected diatomic and triatomic systems will be used to illustrate the accuracy that currently can be achieved for molecular systems. In particular, the F + H2 yields HF + H potential energy hypersurface is used to illustrate the impact of these computational advances on the calculation of potential energy surfaces.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1985

Reduction method for thermal analysis of complex aerospace structures

A reduction method which combines classical Rayleigh-Ritz modal superposition techniques with contemporary finite-element methods is applied to transient nonlinear thermal analysis of aerospace structures. The essence of the method is the use of a few thermal modes from eigenvalue analyses as basis vectors to represent the temperature response in the structure. The method is used to obtain approximate temperature histories for a portion of the Shuttle orbiter wing subject to reentry heating and for a large space antenna reflector subject to heating associated with a low Earth orbit. The reduction method has excellent potential for significant size reduction for radiation-dominated problems such as the antenna reflector. However, for conduction-dominated problems such as the Shuttle wing, especially those with complex spatial and temporal variations in the applied heating, additional work appears necessary to find alternate sources of basis vectors which will permit significant problem size reductions.

Shore, C. P.↗
NASA NTRS1982

Application of the reduced basis method to nonlinear transient thermal analysis

An effort to apply the reduced basis method to nonlinear transient thermal analysis is described. The method combines the classical Rayleigh-Ritz and modal superposition techniques with contemporary finite element methods to retain modeling versatility as the degrees of freedom in a problem are reduced. The essence of the method is to use a few thermal modes from eigenvalue analyses as basis vectors to represent the temperature response for a given thermal problem similar to the use of vibration modes to represent displacements in a dynamic response problem. Approximate temperature distributions were obtained using the reduced basis method for a small section of the Shuttle Orbiter lower wing undergoing reentry heating. Good agreement was obtained between the reduced basis method solutions and full system solutions with reductions in the degrees of freedom of up to a factor of four. The good agreement indicates the reduced basis method has the potential for significant reduction in computing effort for thermal analysis; however, considerable work remains to determine techniques for selecting the type and number of basis vectors needed for approximate solutions to more complex transient thermal problems.

Shore, C. P.↗
NASA NTRS1983

Analysis of structural perturbations in systems via cost decomposition methods

It has long been common practice to analyze linear dynamic systems by decomposing the total response in terms of individual contributions which are easier to analyze. Examples of this philosophy include the expansion of transfer functions using: (1) the superposition principle, (2) residue theory and partial fraction expansions, (3) Markov parameters, Hankel matrices, and (4) regular and singular perturbations. This paper summarizes a new and different kind of expansion designed to decompose the norm of the response vector rather than the response vector itself. This is referred to as "cost-decomposition' of the system. The notable advantages of this type of decomposition are: (a) easy application to multi-input, multi-output systems, (b) natural compatibility with Linear Quadratic Gaussian Theory, (c) applicability to the analysis of more general types of structural perturbations involving inputs, outputs, states, parameters. Property (c) makes the method suitable for problems in model reduction, measurement/actuator selections, and sensitivity analysis.

Skelton, R. E.↗
DOE OSTI2025

End-to-End Automated Segmentation Framework for Four-Dimensional Scanning Transmission Electron Microscopy Data

Four-dimensional scanning transmission electron microscopy (4D-STEM) is powerful for rapidly characterizing arrays of nanoparticles produced via high-throughput synthesis. However, such 4D-STEM datasets typically contain thousands of nanoparticles, each characterized by thousands of diffraction patterns spatially distributed across the nanoparticle, necessitating efficient and comprehensive analysis. We propose an end-to-end segmentation framework to automatically segment each nanoparticle into regions with distinct composition/orientation of crystal grains, using only the 4D-STEM data. Bragg disk information is extracted in a physics-informed manner from the diffraction patterns at each spatial location and combined with the real space coordinates to form feature vectors. These feature vectors are then used as inputs to a Gaussian mixture model (GMM) to segment the nanoparticle into distinct regions. We also develop two visualization tools based on the GMM outputs to infer the interface transition and the degree of superposition. Our framework comprehensively integrates machine learning tools and physics knowledge, and provides a basis for substantially compressing enormous 4D-STEM datasets, e.g., by replacing the full 4D-STEM dataset for each nanoparticle with only a single set of Bragg disk features for each distinct crystal grain identified in the nanoparticle. In this article, we demonstrate the power of our framework by presenting results for real, complex datasets.

47 OTHER INSTRUMENTATION↗
NASA NTRS2001

Multiple Mode Actuation of a Turbulent Jet

The effects of multiple mode periodic excitation on the evolution of a circular turbulent jet were studied experimentally. A short, wide-angle diffuser was attached to the jet exit. Streamwise and cross-stream excitations were introduced at the junction between the jet exit and the diffuser inlet on opposing sides of the jet. The introduction of high amplitude, periodic excitation in the streamwise direction enhances the mixing and promotes attachment of the jet shear-layer to the diffuser wall. Cross-stream excitation applied over a fraction of the jet circumference can deflect the jet away from the excitation slot. The two modes of excitation were combined using identical frequencies and varying the relative phase between the two actuators in search of an optimal response. It is shown that, for low and moderate periodic momentum input levels, the jet deflection angles depend strongly on the relative phase between the two actuators. Optimum performance is achieved when the phase difference is pi +/- pi/6. The lower effectiveness of the equal phase excitation is attributed to the generation of an azimuthally symmetric mode that does not produce the required non-axisymmetric vectoring. For high excitation levels, identical phase becomes more effective, while phase sensitivity decreases. An important finding was that with proper phase tuning, two unsteady actuators can be combined to obtain a non-linear response greater than the superposition of the individual effects.

Pack, LaTunia G.↗
NASA NTRS2001

Multiple Mode Actuation of a Turbulent Jet

The effects of multiple mode periodic excitation on the evolution of a circular turbulent jet were studied experimentally. A short, wide-angle diffuser was attached to the jet exit. Streamwise and cross-stream excitations were introduced at the junction between the jet exit and the diffuser inlet on opposing sides of the jet. The introduction of high amplitude, periodic excitation in the streamwise direction enhances the mixing and promotes attachment of the jet shear-layer to the diffuser wall. Cross-stream excitation applied over a fraction of the jet circumference can deflect the jet away from the excitation slot. The two modes of excitation were combined using identical frequencies and varying the relative phase between the two actuators in search of an optimal response. It is shown that, for low and moderate periodic momentum input levels, the jet deflection angles depend strongly on the relative phase between the two actuators. Optimum performance is achieved when the phase difference is pi +/- pi/6. The lower effectiveness of the equal phase excitation is attributed to the generation of an azimuthally symmetric mode that does not produce the required non-axisymmetric vectoring. For high excitation levels, identical phase becomes more effective, while phase sensitivity decreases. An important finding was that with proper phase tuning, two unsteady actuators can be combined to obtain a non-linear response greater than the superposition of the individual effects.

Pack, LaTunia G.↗
DOE OSTI2023

Resolution of a few problems in the application of quasilinear theory to calculating diffusion coefficients in heliophysics [Slides]

Three problems with the historical literature were discussed. Kennel and Engelmann (1966): ‘notational error’ that implies that diffusion coefficients depend on the distribution of wave power with respect to ψ. This dependence is unphysical and is not present in Lyons+ 1971. Kennel and Engelmann (1966) assume that only a single frequency can be associated with each wave vector: not necessarily true for EMIC, e.g. Lyons (1974a, 1974b) incorrectly used the Jacobian to relate the power spectral density in (ω,χ) space to that into (κ ⊥ , κ ∥ space. The correct use of the Jacobian: (1) Eliminates undesirable properties associated with N(ω) : lack of integrability, lack of superposition; and (2) Can produce orders of magnitude changes to the diffusion coefficients, but depends on the wave distribution: bigger effect for more oblique waves, and depends on the plasma parameter: bigger effect for smaller $ω_{pe}/ω_{ce}$.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Three-dimensional currents of electrodynamic tethers obtained from laboratory models

Magnetic probe measurements in three dimensions (greater than 15,000 positions) and time in a large laboratory plasma (n(sub e) greater than or equal to 10(exp 11)/cc, kTe greater than or equal to 1eV, B(sub 0) = 20 G, 1 m diam. x 2.5 m length) reveal the plasma currents J = del(vector differential operator) x B/mu(sub 0) excited by a pulsed (delta-t = 100 ns), stationary, tethered pair of electrodes (approximately equals 1 cm diam., 20 cm spacing perpendicular to B(sub 0)). The plasma currents for a moving, dc-current carrying electrodynamic tether are obtained by a superposition of delayed pulses emitted at successively displaced tether positions. The transient plasma currents are carried by low-frequency whistlers instead of Alfven waves and form a 3D wing structure but no long phantom loop due to cross-field Hall current shunting.

Urrutia, J. M.↗
DOE OSTI2020

Efficient and Flexible Sensitivity Matrix Computation for Adaptive Electrical Capacitance Volume Tomography

Electrical capacitance tomography is a widely used sensor modality for flow imaging in many industrial settings. Adaptive Electrical Capacitance Volume Tomography (AECVT) extends the capabilities of traditional ECT by enabling direct volumetric imaging and an improved resolution. Construction of the sensitivity matrix is a necessary step to obtain flow images. This step requires computation of the electric field inside the sensing domain, which is done via a typical field solver such as the finite element method. In this work, we present an efficient and flexible method to construct the sensitivity matrix for Adaptive Electrical Capacitance Volume Tomography (AECVT) based on individual electrode segment excitations and their judicious combination to form desired matrix elements. We illustrate how the proposed method yields the same sensitivity matrix as the traditional method but at a much lower computational cost. Once all segment contributions are obtained, we also indicate how the proposed method, unlike the traditional approach, can generate the sensitivity matrix on demand for an arbitrary combination of synthetic electrodes and obviating the need for any additional field computations. Finally, we present image reconstruction results for two different experimental scenarios where the mutual capacitance data and the corresponding sensitivity vectors are obtained through the proposed measurement combination scheme.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗
NASA NTRS1976

The solar gamma ray spectrum between 4 and 8 MeV

The properties of nuclear gamma ray emission in the 4 to 8 MeV range were evaluated. This emission consists of broad and narrow lines resulting from nuclear reactions of energetic H, He, C and O nuclei with ambient matter. Calculations were compared with observations of the 1972, August 4 flare and show that: (1) essentially all the observed radiation in the 4 to 8 MeV region is to the superposition of broad and narrow lines of nuclear origin with almost no contribution from other mechanisms; (2) the accelerated particles in the energy region from about 10 to 100 MeV/amu have a relatively flat Energy spectrum; (3) the calculated gamma ray spectrum, obtained from an isotropic distribution of accelerated particles, fits the observed spectrum better than the spectrum derived from an anisotropic distribution for which the particles' velocity vectors point towards the photosphere; and (4) it is possible to set a stringent upper limit on the ratio of relativistic electrons to protons in flares, consistent with the small, but finite, electron-to-proton ratio in galactic cosmic rays.

Ramaty, R.↗