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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High order interpolation of magnetic fields with vector potential reconstruction for particle simulations

We propose a method for interpolating divergence-free continuous magnetic fields via vector potential reconstruction using Hermite interpolation, which ensures high-order continuity for applications requiring adaptive, high-order ordinary differential equation (ODE) integrators, such as the Dormand-Prince method. The method provides C(m) continuity and achieves high-order accuracy, making it particularly suited for particle trajectory integration and Poincaré section analysis under optimal integration order and timestep adjustments. Through numerical experiments, we demonstrate that the Hermite interpolation method preserves volume and continuity, which are critical for conserving toroidal canonical momentum and magnetic moment in guiding center simulations, especially over long-term trajectory integration. Furthermore, we analyze the impact of insufficient derivative continuity on Runge-Kutta schemes and show how it degrades accuracy at low error tolerances, introducing discontinuity-induced truncation errors. Lastly, we demonstrate performant Poincaré section analysis in two relevant settings of field data collocated from finite element meshes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Real space iterative reconstruction for vector tomography (RESIRE-V)

Tomography has had an important impact on the physical, biological, and medical sciences. To date, most tomographic applications have been focused on 3D scalar reconstructions. However, in some crucial applications, vector tomography is required to reconstruct 3D vector fields such as the electric and magnetic fields. Over the years, several vector tomography methods have been developed. Here, we present the mathematical foundation and algorithmic implementation of REal Space Iterative REconstruction for Vector tomography, termed RESIRE-V. RESIRE-V uses multiple tilt series of projections and iterates between the projections and a 3D reconstruction. Each iteration consists of a forward step using the Radon transform and a backward step using its transpose, then updates the object via gradient descent. Incorporating with a 3D support constraint, the algorithm iteratively minimizes an error metric, defined as the difference between the measured and calculated projections. The algorithm can also be used to refine the tilt angles and further improve the 3D reconstruction. To validate RESIRE-V, we first apply it to a simulated data set of the 3D magnetization vector field, consisting of two orthogonal tilt series, each with a missing wedge. Our quantitative analysis shows that the three components of the reconstructed magnetization vector field agree well with the ground-truth counterparts. We then use RESIRE-V to reconstruct the 3D magnetization vector field of a ferromagnetic meta-lattice consisting of three tilt series. Our 3D vector reconstruction reveals the existence of topological magnetic defects with positive and negative charges. We expect that RESIRE-V can be incorporated into different imaging modalities as a general vector tomography method. To make the algorithm accessible to a broad user community, we have made our RESIRE-V MATLAB source codes and the data freely available at https://github.com/minhpham0309/RESIRE-V.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Magnetic Field Reconstruction for a Realistic Multi-Point, Multi-Scale Spacecraft Observatory

Future in situ space plasma investigations will likely involve spatially distributed observatories comprised of multiple spacecraft, beyond the four and five spacecraft configurations currently in operation. Inferring the magnetic field structure across the observatory, and not simply at the observation points, is a necessary step towards characterizing fundamental plasma processes using these unique multi-point, multi-scale data sets. We propose improvements upon the classic first-order reconstruction method, as well as a second-order method, utilizing magnetometer measurements from a realistic nine-spacecraft observatory. The improved first-order method, which averages over select ensembles of four spacecraft, reconstructs the magnetic field associated with simple current sheets and numerical simulations of turbulence accurately over larger volumes compared to second-order methods or first-order methods using a single regular tetrahedron. Using this averaging method on data sets with fewer than nine measurement points, the volume of accurate reconstruction compared to a known magnetic vector field improves approximately linearly with the number of measurement points.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Imaging extended single crystal lattice distortion fields with multi-peak Bragg ptychography

Recent advances in phase-retrieval-based x-ray imaging methods have demonstrated the ability to reconstruct 3D distortion vector fields within a nanocrystal by using coherent diffraction information from multiple crystal Bragg reflections. However, these works do not provide a solution to the challenges encountered in imaging lattice distortions in crystals with significant defect content that result in phase wrapping. Moreover, these methods only apply to isolated crystals smaller than the x-ray illumination, and therefore cannot be used for imaging of distortions in extended crystals. We introduce multi-peak Bragg ptychography which addresses both challenges via an optimization framework that combines stochastic gradient descent and phase unwrapping methods for robust image reconstruction of lattice distortions and defects in extended crystals. Our work uses modern automatic differentiation toolsets so that the method is easy to extend to other settings and easy to implement in high-performance computers. This work is particularly timely given the broad interest in using the increased coherent flux in fourth-generation synchrotrons for innovative material research.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine learning for improved current-density reconstruction from two-dimensional vector magnetic images

The reconstruction of electrical current densities from magnetic field measurements is an important technique with applications in materials science, circuit design, quality control, plasma physics, and biology. Analytic reconstruction methods exist for planar currents, but break down in the presence of high-spatial-frequency noise or large standoff distance, restricting the types of systems that can be studied. Here, we demonstrate the use of a deep convolutional neural network for current density reconstruction from two-dimensional images of vector magnetic fields acquired by a quantum diamond microscope . Trained network performance significantly exceeds analytic reconstruction for data with high noise or large standoff distances. This machine learning technique can perform quality inversions on lower-signal-to-noise-ratio data, significantly reducing the data collection time and permitting reconstructions of weaker and three-dimensional current sources. Published by the American Physical Society 2025

Reed, Niko R. (ORCID:0009000305222403)↗
DOE OSTI2025

Structural response reconstruction using a system-equivalent singular vector basis

Here, this paper develops a novel method for reconstructing the full-field response of structural dynamic systems using sparse measurements. The singular value decomposition is applied to a frequency response matrix relating the structural response to physical loads, base motion, or modal loads. The left singular vectors form a non-physical reduced basis that can be used for response reconstruction with far fewer sensors than existing methods. The contributions of the singular vectors to measured response are termed singular-vector loads (SVLs) and are used in a regularized Bayesian framework to generate full-field response estimates and confidence intervals. The reconstruction framework is applicable to the estimation of single data records and power spectral densities from multiple records. Reconstruction is successfully performed in configurations where the number of SVLs to identify is less than, equal to, and greater than the number of sensors used for reconstruction. In a simulation featuring a seismically excited shear structure, SVL reconstruction significantly outperforms modal FRF-based reconstruction and successfully estimates full-field responses with as few as two uniaxial accelerometers. SVL reconstruction is further verified in a simulation featuring an acoustically excited cylinder. Finally, response reconstruction and uncertainty quantification are performed on an experimental structure with three shaker inputs and 27 triaxial accelerometer outputs.

42 ENGINEERING↗
DOE OSTI2023

Concurrent multi-peak Bragg coherent x-ray diffraction imaging of 3D nanocrystal lattice displacement via global optimization

Abstract In this paper we demonstrated a method to reconstruct vector-valued lattice distortion fields within nanoscale crystals by optimization of a forward model of multi-reflection Bragg coherent diffraction imaging (MR-BCDI) data. The method flexibly accounts for geometric factors that arise when making BCDI measurements, is amenable to efficient inversion with modern optimization toolkits, and allows for globally constraining a single image reconstruction to multiple Bragg peak measurements. This is enabled by a forward model that emulates the multiple Bragg peaks of a MR-BCDI experiment from a single estimate of the 3D crystal sample. We present this forward model, we implement it within the stochastic gradient descent optimization framework, and we demonstrate it with simulated and experimental data of nanocrystals with inhomogeneous internal lattice displacement. We find that utilizing a global optimization approach to MR-BCDI affords a reliable path to convergence of data which is otherwise challenging to reconstruct.

36 MATERIALS SCIENCE↗
DOE OSTI2024

3D imaging of magnetic domains in Nd 2 Fe 14 B using scanning hard X-ray nanotomography

Nanoscale structural and electronic heterogeneities are prevalent in condensed matter physics. Investigating these heterogeneities in 3D has become an important task for understanding material properties. To provide a tool to unravel the connection between nanoscale heterogeneity and macroscopic emergent properties in magnetic materials, scanning transmission X-ray microscopy (STXM) is combined with X-ray magnetic circular dichroism. A vector tomography algorithm has been developed to reconstruct the full 3D magnetic vector field without any prior noise assumptions or knowledge about the sample. Two tomographic scans around the vertical axis are acquired on single-crystalline Nd 2 Fe 14 B pillars tilted at two different angles, with 2D STXM projections recorded using a focused 120 nm X-ray beam with left and right circular polarization. Image alignment and iterative registration have been implemented based on the 2D STXM projections for the two tilts. Dichroic projections obtained from difference images are used for the tomographic reconstruction to obtain the 3D magnetization distribution at the nanoscale.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Scalable In Situ Computation of Lagrangian Representations via Local Flow Maps

In situ computation of Lagrangian flow maps to enable post hoc time-varying vector field analysis has recently become an active area of research. However, the current literature is largely limited to theoretical settings and lacks a solution to address scalability of the technique in distributed memory. To improve scalability, we propose and evaluate the benefits and limitations of a simple, yet novel, performance optimization. Our proposed optimization is a communication-free model resulting in local Lagrangian flow maps, requiring no message passing or synchronization between processes, intrinsically improving scalability, and thereby reducing overall execution time and alleviating the encumbrance placed on simulation codes from communication overheads. To evaluate our approach, we computed Lagrangian flow maps for four time-varying simulation vector fields and investigated how execution time and reconstruction accuracy are impacted by the number of GPUs per compute node, the total number of compute nodes, particles per rank, and storage intervals. Our study consisted of experiments computing Lagrangian flow maps with up to 67M particle trajectories over 500 cycles and used as many as 2048 GPUs across 512 compute nodes. In all, our study contributes an evaluation of a communication-free model as well as a scalability study of computing distributed Lagrangian flow maps at scale using in situ infrastructure on a modern supercomputer.

Sane, Sudhanshu↗
DOE OSTI2022

Improving the accuracy of discretisations of the vector transport equation on the lowest-order quadrilateral Raviart-Thomas finite elements

Within finite element models of fluids, vector-valued fields such as velocity or momentum variables are commonly discretised using the Raviart-Thomas elements. However, when using the lowest-order quadrilateral Raviart-Thomas elements, standard finite element discretisations of the vector transport equation typically have a low order of spatial accuracy. This paper describes two schemes that improve the accuracy of transporting such vector-valued fields on two-dimensional curved manifolds. The first scheme that is presented reconstructs the transported field in a higher-order function space, where the transport equation is then solved. The second scheme applies a mixed finite element formulation to the vector transport equation, simultaneously solving for the transported field and its vorticity. In this work, an approach to stabilising this mixed vector-vorticity formulation is presented that uses a Streamline Upwind Petrov-Galerkin (SUPG) method. These schemes are then demonstrated, along with their accuracy properties, through some numerical tests. Two new test cases are used to assess the transport of vector-valued fields on curved manifolds, solving the vector transport equation in isolation. The improvement of the schemes is also shown through two standard test cases for rotating shallow-water models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Experimental demonstration of coupled multi-peak Bragg coherent diffraction imaging with genetic algorithms

Bragg coherent diffraction imaging has the potential to provide significant insight into the structure-properties relationship for crystalline materials by imaging, with nanoscale resolution, three-dimensional strain fields within individual grains and nanoparticles. The capability of present-day synchrotrons to locate and measure a multiplicity of Bragg reflections from a single grain makes it possible to recover the full strain tensor with nanometer resolution. Recent methods for coupling reconstructions from several peaks to determine the strain tensor have been developed and applied to synthetic data, but have not been applied to experimental data. Here, using a coupled genetic reconstruction algorithm, we reconstruct an experimental data set and demonstrate improvements in the ability to resolve vector-valued displacement fields internal to the particle as compared to what is achieved with a noncoupled approach. The coupled approach developed in this work was also validated on simulated data sets. In both simulated and experimental data, reconstructions from our coupled Bragg peak algorithm show improvements over the noncoupled independent reconstruction method of 5% in terms of accuracy and 53% in terms of consistency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Tensor-based flow reconstruction from optimally located sensor measurements

Reconstructing high-resolution flow fields from sparse measurements is a major challenge in fluid dynamics. Existing methods often vectorize the flow by stacking different spatial directions on top of each other, hence confounding the information encoded in different dimensions. Here, we introduce a tensor-based sensor placement and flow reconstruction method which retains and exploits the inherent multidimensionality of the flow. We derive estimates for the flow reconstruction error, storage requirements and computational cost of our method. We show, with examples, that our tensor-based method is significantly more accurate than similar vectorized methods. Furthermore, the variance of the error is smaller when using our tensor-based method. While the computational cost of our method is comparable to similar vectorized methods, it reduces the storage cost by several orders of magnitude. The reduced storage cost becomes even more pronounced as the dimension of the flow increases. We demonstrate the efficacy of our method on three examples: a chaotic Kolmogorov flow, in situ and satellite measurements of the global sea surface temperature and three-dimensional unsteady simulated flow around a marine research vessel.

Mechanics↗
DOE OSTI2024

Observation of Skewed Electromagnetic Wakefields in an Asymmetric Structure Driven by Flat Electron Bunches

Relativistic charged -particle beams that generate intense longitudinal fields in accelerating structures also inherently couple to transverse modes. The effects of this coupling may lead to beam breakup instability and thus must be countered to preserve beam quality in applications such as linear colliders. Beams with highly asymmetric transverse sizes (flat beams) have been shown to suppress the initial instability in slab -symmetric structures. However, as the coupling to transverse modes remains, this solution serves only to delay instability. In order to understand the hazards of transverse coupling in such a case, we describe here an experiment characterizing the transverse effects on a flat beam, traversing near a planar dielectric lined structure. Further, the measurements reveal the emergence of a previously unobserved skew-quadrupolelike interaction when the beam is canted transversely, which is not present when the flat beam travels parallel to the dielectric surface. We deploy a multipole field fitting algorithm to reconstruct the projected transverse wakefields from the data. We generate the effective kick vector map using a simple two -particle theoretical model, with particle -in -cell simulations used to provide further insight for realistic particle distributions.

43 PARTICLE ACCELERATORS↗
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 OSTI2020

An arbitrarily high-order three-dimensional Cartesian-grid method for reconstructing interfaces from volume fraction fields

Here Tthis work describes a newly developed, arbitrarily high-order Cartesian-grid method for reconstructing material interfaces from a volume fraction field. The method begins by identifying all of the grid cells in the volume fraction field that are intersected by the interface and need to be approximated by the reconstruction scheme. Finite-differences are used to calculate the gradient of the volume fraction field and provide an estimate of the surface normal in all of the interfacial grid cells. Groups of connected grid cells are then identified which all have the same dominant component of the normal vector. This grouping by orientation determines the proper dependent variable to use in the surface reconstruction (e.g. for a 2D curve, this step determines if the surface will be approximated by a function of x or y). A cumulative integral over the surface is constructed and fit using b-splines for two-dimensional problems or tensor-product b-splines for three-dimensional problems. This construction allows for the interface to be recovered through application of the second fundamental theorem of calculus. Fitting the cumulative integral with $\mathscr{N}$ th-order b-splines (or tensor-product b-splines) yields an ($\mathscr{N}$-1) th-order convergence rate of the interface shape. Differentiation of the b-spline interface function(s) allows for the high-order approximation of the normal vector and curvature to be obtained directly anywhere along b-spline. Together, the proposed reconstruction technique can achieve arbitrarily high mesh convergence rates. Validation tests are presented with mesh convergence rates ranging from fourth- to tenth-order.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Charge correlations and magnetoelastic coupling in intercalated transition metal dichalcogenides

The large van der Waals gap in transition metal dichalcogenides (TMDs) offers an avenue to tune the ground state of 2D materials through the intercalation of magnetic atoms. Here, we investigate the charge correlations in Fe 1/3 ⁢TaS 2 , Co 1/3 ⁢TaS 2 , and Fe 0.35 ⁢NbS 2 by combining angle-resolved photoemission spectroscopy (ARPES), x-ray scattering, magnetometry, and density functional theory (DFT). We find that, while short-range charge fluctuations develop in Ta-based compounds, Fe 0.35 ⁢NbS 2 exhibits long-range charge order which is strongly coupled with magnetic order and tunable by external magnetic field. Our electronic structure analysis reveals that intercalation reconstructs the Fermi surface via charge transfer and band renormalization, yet does not generate the nesting conditions compatible with the observed ordering vectors. Complementary phonon calculations further exclude a conventional electron-phonon origin of charge order. Together, these results establish magnetoelastic coupling as the dominant mechanism behind charge ordering in Fe 0.35 ⁢NbS 2 and highlight the contrasting role of Nb and Ta hosts in stabilizing correlated ground states in intercalated TMDs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Calibration method for a spectral computerized tomography system

A calibration method for an x-ray computerized tomography system and a method of tomographic reconstruction are provided. The calibration method includes steps of measuring at least one point spread function (PSF) at each of a plurality of points, compressing each PSF, and in one or more storing operations, storing the compressed PSFs in a computer-accessible storage medium. The PSF measurements are made in a grid of calibration points in a field of view (FOV) of the system. In the measuring step, an absorber is positioned at each of the calibration points, and an x-ray projection is taken at least once at each of those absorber positions. In the method of tomographic image reconstruction, projection data from an x-ray tomographic projection system are input to an iterative image reconstruction algorithm. The algorithm retrieves and utilizes a priori system information (APSI) The APSI comprises comprising point spread functions (PSFs) of all voxels in a voxelization of the field of view that are compressed in the form of vectors of parameters. For utilization, each retrieved vector of parameters is decompressed so as to generate a discretized PSF.

Jimenez, Jr., Edward Steven↗
DOE OSTI2026

Linking Domain Structure Evolution at a Grain Boundary to Piezoelectric Response via Nano‐Diffraction

Electric-field-induced domain structure switching in a 1 𝜇⁢m -thick Pb 0.99 (Zr 0.45 Ti 0.55 ) 0.98 Nb 0.02 O 3 (Nb-doped PZT) bicrystal film was characterized in situ via nano-focused synchrotron diffraction. The epitaxial film was deposited on a (100) SrTiO 3 bicrystal substrate. The changes in domain structure were mapped within a 5 𝜇⁢m × 5 𝜇⁢m area at and around an in-plane tilt-type (23.6°) grain boundary with 50 nm spatial resolution. Rocking curves collected at each point of the mapped area provided the ability to reconstruct spatially-varying three-dimensional (3D) reciprocal space maps around the grain boundary. The 3D reciprocal space maps reveal how different tilted 𝑎 -type domain variants interact with the grain boundary as a function of increasing electric field. Initially, a subset of 𝑎 -type domain variants with their polarization vectors largely orthogonal to the grain boundary were found in greater abundance within 570 nm of the grain boundary, possibly due to X-ray beam-induced local increases in the electrical conductivity, but after the coercive field was exceeded, reconfiguration of the ferroelastic domains was observed. The spatially-varying reciprocal space maps also facilitated evaluation of the strain field across the mapped area, along with 𝑑 33,𝑓 . Significant spatial heterogeneity of strain and 𝑑 33,𝑓 are observed, especially at the coercive field, which was attributed to maintaining deformation compatibility and correlated ferroelastic switching.

36 MATERIALS SCIENCE↗