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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

Seismic response of vertical dry storage casks under three-dimensional earthquake motions

Ensuring the long-term seismic safety of dry storage casks (DSCs) is becoming increasingly critical as these systems evolve from temporary to de facto permanent repositories for spent nuclear fuels. Traditional seismic soil–structure interaction (SSI) assessment methods use one-dimensional deconvolution or simplified boundary conditions to model incident waves. Although computationally appealing, simplifying assumptions may alter the seismic risk by neglecting the full complexity of three-dimensional (3D) wave propagation effects. To address this challenge, this paper introduces a novel high-fidelity computational framework that leverages the Domain Reduction Method (DRM) with perfectly matched layers (PML) to accurately transfer complex, 3D seismic wavefields from regional-scale fault-rupture simulations into local-scale finite element models of DSCs. Using broadband, physics-based ground motions from a generic M w 7.0 strike-slip event, both single-cask and multi-cask configurations were investigated under near- and far-field conditions. Emphasis is placed on capturing complex SSI, spatial variability in the ground motion, and nonlinear phenomena such as cask rocking and sliding. Numerical results demonstrate that near-field conditions, where forward directivity and fling-step effects dominate, lead to significantly higher DSC rocking and sliding. Far-field cases, by contrast, generally exhibit modest responses. Incorporating SSI tends to amplify or alter DSC response spectra and introduce response variability, which underscores the need for site-specific evaluations and robust modeling approaches to ensure the seismic integrity of DSCs in interim spent fuel storage installations.

Das, Tonmoy↗
DOE OSTI2026

Parametric amplification of spin-motion coupling in three-dimensional trapped-ion crystals

Three-dimensional (3D) crystals offer a route to scaling up trapped-ion systems for quantum sensing and quantum simulation applications; however, engineering coherent spin-motion couplings and effective spin-spin interactions in large crystals poses technical challenges associated with decoherence and prolonged timescales to generate appreciable entanglement. Here, we explore the possibility of speeding up these interactions in 3D crystals via parametric amplification. For this purpose, we derive a general Hamiltonian for the parametric amplification of spin-motion coupling that is broadly applicable to normal modes with motion transverse to or along the spatial extent of the crystal. Unlike in lower-dimensional crystals, we find that the ability to faithfully (uniformly) amplify the spin-spin interactions in 3D crystals depends on the physical implementation of the spin-motion coupling. We consider the light-shift gate, and the so-called phase-insensitive and phase-sensitive Mølmer-Sørensen (MS) gates, and we find that only the phase-sensitive MS gate can be faithfully amplified in general 3D crystals. We discuss a situation where nonuniform amplification can be advantageous. We also reconsider the effect of counter-rotating terms on parametric amplification and find that they are not as detrimental as previous studies suggest.

Optical parametric oscillators & amplifiers↗
DOE OSTI2026

On the role of symmetry in quenching OH tunneling in 2,6-dimethylphenol

Here, we model the spectroscopy of the two methyl torsional degrees of freedom coupled to the OH torsional motion in 2,6-dimethylphenol. Recent gas-phase rotational transitions [Welsh et al ., J. Phys. Chem. Lett. 17 , 3749–3758 (2026)] have been interpreted to be the result of certain symmetry states of the methyl groups leading to the quenching of the OH torsional motion. Both a three-dimensional model and an adiabatic model, in which the OH torsion is treated as the slow mode, are developed to test these conjectures. Good agreement is found between the exact and approximate adiabatic models. The adiabatic model is developed to interpret and elucidate the key couplings leading to the quenching of the tunneling splitting.

Sibert, III, Edwin L. [Univ. of Wisconsin, Madison↗
DOE OSTI2026

Astigmatism-free 3D optical tweezer control for rapid atom rearrangement

Reconfigurable neutral-atom arrays are a promising platform for quantum computing, quantum simulation, and quantum metrology, but atom transport using frequency-chirped acousto-optic deflectors (AODs) is limited by chirp-induced acoustic lensing and trajectory distortion. We address these limitations using a three-dimensional acousto-optic deflector lens (3D-AODL), a design predicted to reduce long-range transport times by more than a factor of two. We further introduce fading-Shepard waveforms that circumvent finite AOD bandwidth, enabling sustained axial displacement. We demonstrate unrestricted three-dimensional optical-tweezer motion over a 200 μm × 200 μm × 136 μm volume with velocities exceeding 4.2 m/s. Arbitrary three-dimensional control of optical-tweezer trajectories enables rapid atom rearrangement and dynamical engineering of optical potentials in tweezer arrays and optical lattices. This capability advances quantum control and atom manipulation in neutral-atom quantum processors by enabling faster rearrangement, higher clock rates, and scalable sorting in complex geometries.

Lu, Yue-Hui [University of California, Berkeley, C↗
DOE OSTI2026

Electrically writing a magnetic heliknoton in a chiral magnet

A magnetic heliknoton is the three-dimensional counterpart to the two-dimensional magnetic skyrmion, and serves as a pivotal topological soliton for extending topological magnetism into three dimensions. However, its experimental realization remains elusive. Here we report the controlled nucleation of a magnetic heliknoton in the chiral magnet FeGe at zero magnetic field, achieved through nanoscale current-pulse excitation. By combining angle-dependent quantitative electron holography with micromagnetic simulations, we resolve the three-dimensional spin texture of the heliknoton. In particular, the heliknoton exhibits current-driven collinear motion without the Hall effect. Furthermore, our findings establish a readily accessible experimental platform for further exploration of three-dimensional topological solitons and highlight their potential for practical applications.

Magnetic properties and materials↗
DOE OSTI2026

The Role of Subcloud Mesoscale Convergence in Sculpting Convective Updraft Width and Depth

The initiation of deep moist convection is governed in part by the horizontal width of updrafts near cloud base, which limits the deleterious effects of entrainment-driven dilution on buoyant thermals ascending through the free troposphere. However, the factors controlling cloud-base updraft width, which in turn dictates cloud depth, are not well understood. We track the evolving three-dimensional structure of the mesoscale subcloud forcing for vertical motion and near-cloud thermodynamic ingredients within a high-resolution ensemble of simulations of seven realistic daytime orographic convection initiation events to determine their relative roles in controlling cloud width and depth. Statistical analysis of approximately 5000 cloudy updraft samples indicates that the most important contributors to the width of cloudy updrafts across the ensemble are the depth and magnitude of the subcloud mesoscale ascent. However, the depth achieved by clouds is more consistently predicted by the near-cloud ambient relative humidity within the lower to middle free troposphere and convective available potential energy. Therefore, although the width of cloudy updrafts may be partly set at low levels by the mesoscale vertical mass and moisture flux, the likelihood of deep moist convection is governed by the generation of positive buoyancy within cumulus thermals and entrainment-driven dilution that reduces it. The persistence of the low-level mesoscale vertical forcing locally consolidates and vertically transports boundary layer moisture, helping to reduce updraft dilution. However, these factors vary in relative impacts on cloudy updrafts across individual cases, indicating multiple pathways for deep convection initiation.

Convective storms↗
DOE OSTI2025

The Three-Dimensional Structure of the Proton

This project addresses three key questions about the “glue that binds us all” (Nuclear Science Advisory Council’s Long-Range Plan). First, what is the three-dimensional momentum distribution of gluons within the nucleon? Second, how is the motion of quarks and gluons correlated within hadrons and how do those correlations manifest in nucleon structure? Third, how can lattice calculations guide the experimental study of hadron structure at the future electron-ion collider (EIC)?

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging

Structure-sensitive methods based on femtosecond light or electron pulses are now making it possible to measure how molecular structures change during light-induced processes. Despite significant progress, high-fidelity imaging of nuclear positions remains a challenge even for relatively small molecular systems and, notably, regarding the positions of hydrogen atoms. As demonstrated in recent work, X-ray-induced Coulomb explosion imaging (CEI) may overcome this obstacle, as its sensitivity does not depend on the mass of the imaged atoms. The photoinduced ring opening of the heterocyclic molecule 2(5 H )-thiophenone has attracted recent interest. Here, in this work, we show that CEI offers a powerful route to imaging the peripheral H atoms in this molecule and thus, more generally, to tracking detailed nuclear motions (e.g., isomerizations) in organic molecules on ultrafast time scales. Specifically, we record momentum-space Coulomb explosion images that report on the three-dimensional positioning of all nuclei within the molecule, for instance, distinguishing H atoms in C–H bonds that lie within or are directed out of the plane defined by the heavy atoms. The prospect of imaging peripheral H atoms to probe photochemical dynamics is explored by coupling ab initio molecular dynamics with classical Coulomb explosion simulations, thereby differentiating potential photoproduct isomers, including those whose structures primarily differ in the position of the hydrogens.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Deep Learning and Photogrammetric Reconstruction for Automated Crack Detection and Dimensional Measurement in Mining Operations

Surface crack detection and dimensional measurement at active mining sites present significant safety and operational challenges. Manual inspection methods are labor-intensive, spatially incomplete, and expose personnel to hazardous environments, while existing automated approaches have been developed primarily for concrete civil infrastructure and have not been validated on the complex, variable surfaces characteristic of mining environments. This dissertation presents an automated pipeline that integrates deep learning semantic segmentation with Structure-from-Motion photogrammetry to detect surface cracks and measure their aperture, length, and vertical displacement from standard RGB imagery acquired during routine Uncrewed Aerial Vehicle (UAV) survey operations, without requiring additional sensor hardware or manual measurement. The pipeline combines a U-Net architecture with an EfficientNet-B0 encoder, pretrained on the SDNET2018 concrete crack dataset and fine-tuned on a mining-specific dataset spanning laboratory concrete specimens, coal refuse impoundment embankments, and post-blast limestone quarry benches. Photogrammetric reconstruction is performed using COLMAP Structure-from-Motion and Multi-View Stereo, with crack segmentation masks projected into the reconstructed point cloud to enable three-dimensional vertical displacement measurement through local plane fitting and bimodal surface detection. The pipeline was validated across 36 controlled laboratory specimens at three imaging distances and four vertical displacement levels, achieving aperture measurement RMSE of 0.047 cm and R² of 0.954, and vertical displacement RMSE of 0.140 cm and R² of 0.966, against independent caliper measurements. Field application at a coal refuse impoundment in southwestern Pennsylvania detected 71 crack components across the embankment crest, with a dominant longitudinal crack exhibiting aperture values reaching 28 cm and a 95th percentile vertical displacement of 35.53 cm, consistent in magnitude and spatial distribution with simultaneously acquired LiDAR-derived estimates. Application across four post-blast limestone quarry bench datasets in California successfully characterized blast-induced fracture networks at ground sampling distances ranging from 0.59 to 1.23 cm/pixel, with detected crack geometries physically consistent with observable surface conditions at each site. The results demonstrate that deep learning-based crack detection and photogrammetric measurement can be integrated into routine UAV inspection workflows at mining sites, providing repeatable, scalable, and quantitative crack characterization across surface types, crack scales, and displacement magnitudes not previously addressed in the literature. The pipeline requires no dedicated surveying equipment beyond the UAV platforms already deployed at mine sites for survey and monitoring purposes, supporting practical adoption within existing operational workflows.

Crack detection, Dimensional Measurement↗
DOE OSTI2026

Impact of atmospheric turbulence on performance and loads of wind turbines: knowledge gaps and research challenges

Wind energy harvesting from the atmosphere takes place in the atmospheric boundary layer. The boundary layer shear and buoyancy create three-dimensional turbulent eddies spanning a range of scales that form a continuous forward cascade of kinetic energy to the smallest scales of motion where energy is dissipated. Large-scale atmospheric circulations modulate the boundary layer turbulence, characterized by coherence and intermittency. As wind turbines grow in size and the integrated control of both turbines and wind farms spans greater distances, the relationship between the scales of atmospheric turbulence and the design and operation of wind energy facilities has entered new territory. The boundary layer turbulence impacts both wind turbine power production and turbine loads. Optimizing wind turbine and wind farm performance requires an understanding of how turbulence affects both wind turbine efficiency and reliability. While the characteristics of atmospheric boundary layer turbulence have been observed and studied in detail over the last few decades, there are still significant gaps in our understanding of the impact of turbulence on wind power resources and wind farm operations. This paper outlines the current state of turbulence research relevant to wind energy applications and points to gaps in our knowledge that need to be addressed to effectively utilize wind resources.

Kosović, Branko [Johns Hopkins Univ., Baltimore, M↗
DOE OSTI2026

Microscopic Mechanisms of Superionic Na-ion Conductivity in Crystalline and Amorphous NaMOCl 4 (M = Nb, Ta) Solid Electrolytes

Sodium-ion solid electrolytes offer a sustainable route toward next-generation batteries, but few match the performance of their lithium counterparts. Halide-based NaMOCl 4 (M = Nb, Ta) has recently emerged as a promising analogue to LiMOCl 4 , yet its structure–transport relationships remain unclear due to poor crystallinity in experiments. Here, we combine density functional theory and machine-learned molecular dynamics to reveal that crystalline NaMOCl 4 exhibits negligible room-temperature conductivity with high activation barriers arising from vacancy-mediated diffusion below an order–disorder transition. Above this transition, rotational and translational motion of the [MO 2/2 Cl 4 – ] ∞ chains create new Na sites and enhances transport. In contrast, the amorphous phase inherently supports facile, three-dimensional Na diffusion through dynamic framework flexibility. These results show that ordered crystalline phases hinder ionic transport, while disorder – either thermally induced or structural – facilitates it, revising prior assumptions from the Li system and providing design principles for high-conductivity Na halide electrolytes.

Wei, Grace [University of California, Berkeley, CA↗
DOE OSTI2026

Imaging Three-Dimensional Molecular Structure and Dynamics with Multiparticle Covariance and Cumulant Coulomb Explosion Analysis

Coulomb explosion imaging (CEI) provides a direct means of imaging molecular geometry by correlating fragment ion momenta following the fragmentation of a molecular polycation. Here, we demonstrate the use of three-body covariance and four-body cumulant analysis to extract three-dimensional (3D) structural information from the X-ray-induced Coulomb explosion of tert-butyl iodide (C4H9I). Site-selective ionization at the iodine 4d edge with intense femtosecond soft X-ray pulses from an X-ray free-electron laser (XFEL) enables rapid charge buildup and molecular breakup. By correlating ionic fragments in the molecular frame, we isolate complete dissociation channels and reveal subtle structural changes, such as umbrella-type motion of the branched alkyl chain, during the ionization process. Comparison with point-charge simulations of the Coulomb explosion shows close agreement, validating the approach. Furthermore, these results establish covariance/cumulant mapping as a powerful strategy for imaging complex three-dimensional molecular structures and point the way toward time-resolved CEI using both XFEL and tabletop sources for capturing ultrafast structural dynamics.

Imaging↗
DOE OSTI2025

Study of Quadrupole Fringe Fields in the Interaction Region of the Hadron Storage Ring of the Electron Ion Collider

Fringe fields in quadrupole magnets are usually neglected in studies of beam dynamics at accelerators. However, the extreme optical parameters present in the final focus of a collider such as the Electron–Ion Collider (EIC) may give rise to effects that should not be overlooked. The calculation of quadrupole fringe fields presented in this study follows the procedure outlined in Ref. [1], specialized to the case of a straight reference orbit (i.e., with no dipole field component). A right-handed Cartesian coordinate system is employed, with the $z$-axis aligned with the quadrupole axis and $x$ and $y$ denoting the horizontal and vertical transverse coordinates, respectively. The magnetic quadrupole field gradient, $G = \partial B_y / \partial x$, transitions from its peak value inside the quadrupole—where it is nearly independent of the longitudinal coordinate $z$—to zero at some distance beyond the magnet edge. Consequently, $G$ is treated as a function of $z$. The region over which this variation occurs is defined as the quadrupole fringe field region. The study begins with the development of a description of the magnetic field in the fringe region using a power-series expansion in the transverse coordinates $x$and $y$, consistent with the longitudinally varying gradient. A model for the $z$-dependence of the gradient is then proposed and adjusted to reproduce magnetic field data obtained from three-dimensional field calculations. To evaluate the impact of the fringe fields on beam dynamics, the corresponding vector potential is derived and incorporated into a Hamiltonian formulation of particle motion. The significance of the fringe fields is quantified by calculating the amplitude-dependent tune shift from the Hamiltonian. Using linear beam optics parameters of the Hadron Storage Ring (HSR) of the EIC, the tune shift due to the fringe fields of all quadrupole magnets in the IR-6 interaction region is evaluated. Finally, the resulting tune shifts are compared with those arising from other nonlinear field components present in the HSR.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Effect of Surface Roughness on Dynamic Stall in Pitching Motion

Dynamic stall plays a critical role in determining the performance and stability of a wide range of fluid-dynamics systems in various engineering applications. This unsteady aerodynamic phenomenon is particularly significant for maneuvering aircraft wings, jet aircraft subjected to gust encounters, helicopter rotor blades, and wind turbine blades [1–3]. The prediction of the dynamic stall vortex (DSV) is challenging due to factors such as unsteady aerodynamics, three-dimensional (3-D) effects, turbulence and flow separation, incoming gust, and surface impact effects [4–6]. Hence, advanced computational techniques and modeling approaches in computational fluid dynamics (CFD) would be required to enhance the accuracy and reliability of DSV predictions in dynamic stall scenarios. In the past, Batther and Lee [7] employed delayed detached eddy simulations (DDES) to understand the flow physics associated with the onset of dynamic stall. Their approach demonstrated that DDES achieves results comparable to those obtained from large-eddy simulations at a reduced computational cost. In another study, Khalifa et al. [8] examined the 3-D aspects of dynamic stall on a NACA 0012 airfoil using DES solvers. In conclusion, the findings underlined the superiority of 3-D simulations over two-dimensional approaches, particularly in predicting the lift coefficient values and capturing dynamic stall stages more precisely.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Collective behavior of “flexicles”

In recent years the functionality of synthetic active microparticles has edged even closer to that of their biological counterparts. However, we still lack the understanding needed to recreate at the microscale key features of autonomous behavior exhibited by microorganisms or swarms of macroscopic robots. In this study, we propose a model for a three-dimensional deformable cellular composite particle consisting of self-propelled rod-shaped colloids confined within a flexible vesicle—representing a superstructure we call a “flexicle” that couples particle deformation to the internal dynamics of the internal active components. Using molecular dynamics simulations, we investigate the collective behavior of dense systems composed of many flexicles. We show that individual flexicles exhibit shape changes upon collisions with other flexicles that lead to rearrangements of the internal active rods, which slows flexicle motion. This shape deformability gives rise to a diverse set of motility-induced phase separation phenomena and the spontaneous flow of flexicles reminiscent of the migration of cells in dense tissues. Our findings establish a foundation for designing responsive, cell-like active particles and developing strategies for controlling swarm migration and other autonomous swarm behaviors at cellular and colloidal scales.

Science & Technology - Other Topics↗
DOE OSTI2026

Modeling of injected current stream-induced 3D perturbations in local helicity injection plasmas

Solenoid-free tokamak startup techniques are essential for spherical tokamaks and offer a pathway to cost reduction and design simplification in fusion energy systems. Local helicity injection (LHI) is one such approach, employing compact edge current sources to drive open field line current that initiates and sustains tokamak plasmas. The recently commissioned Pegasus-III Experiment provides a platform for advancing this and other solenoid-free startup methods. This study investigates the effect of LHI on magnetic topology in Pegasus-III plasmas. A helical filament model represents the injected current, and the linear plasma response to its three-dimensional field is calculated with M3D-C1. Poincaré mapping reveals substantial flux surface degradation in all modeled cases. The onset of overlapping magnetic structures and large-scale surface deformation begins near Ψ N ≈ 0.37, indicating a broad region of perturbed topology extending toward the edge. In rotating plasmas, both single-fluid and two-fluid models exhibit partial screening of the n = 1 perturbation, with two-fluid calculations showing stronger suppression near the edge. In contrast, the absence of rotation leads to strong resonant field amplification in the single-fluid case, while the two-fluid case with zero electron rotation mitigates this amplification and preserves edge screening. Magnetic probe measurements indicate that modeling the stream with spatial spreading—representing distributed current and/or oscillatory motion—better reproduces measured magnetic power profiles than a rigid filament model. The results underscore the role of rotation and two-fluid physics in screening stream perturbations and point to plasma flow measurements and refined stream models as key steps toward improving predictive fidelity.

Schaefer, Carolyn E. [Univ. of Wisconsin, Madison,↗
DOE OSTI2026

Numerical simulation of vortex-induced vibration response of a single IEA 10-MW wind turbine blade

Three-dimensional simulation of vortex-induced vibration (VIV) of a single International Energy Agency (IEA) 10-MW reference wind turbine blade with a length of 97.325 m is performed using the ExaWind stack, an open-source suite of codes. This study aims to illustrate the spanwise VIV response characteristics and cross-validate the results with an existing commercial framework. Five near-body meshes and three time steps are selected for the convergence study. To improve computational efficiency, several VIV triggering methods are also compared to shorten the VIV development period. The ExaWind-based VIV simulation strategy for a single IEA 10-MW blade is determined. First, the modal shape is validated against published results. Then, spanwise VIV responses of four blade configurations under a fixed and varied incoming flow velocity are analyzed. Results show that the VIV response is dominated by the first edgewise (second overall) mode. Little first-mode contributions appear near the second-mode node, producing a pi phase jump, and a higher harmonics response occurs near the blade root. Rotational degrees of freedom are minor compared with translational motion. The response versus reduced velocity is analyzed, showing a two-branch behavior similar to that of VIV for a bluff cylinder. Across all tested cases, the dominant frequency remains locked to the natural frequency of the second mode with no observed desynchronization. A mild deviation is observed for the case of 90-degree pitch and 310-degree azimuth rotation near a reduced velocity of 6, which will be examined with additional cases in future work. These findings indicate that severe VIV responses can arise under specific configurations and flow conditions, thereby increasing the potential for VIV fatigue damage and requiring greater attention during operation.

17 WIND ENERGY↗
DOE OSTI2025

Geometric Delocalization in Two Dimensions

We demonstrate the existence of transient two-dimensional surfaces where a random-walking particle escapes to infinity in contrast to localization in standard flat two-dimensional space. We first prove that any rotationally symmetric two-dimensional membrane embedded in flat three-dimensional space cannot be transient. Then we formulate a criterion for the transience of a general asymmetric two-dimensional membrane. We use it to explicitly construct a class of transient two-dimensional manifolds with a nontrivial metric and height function but “zero average curvature,” which we dub “tablecloth manifolds.” The absence of the logarithmic infrared divergence of the Laplace-Beltrami operator in turn implies the absence of weak localization, nonexistence of bound states in shallow potentials, and breakdown of the Mermin-Wagner theorem and Kosterlitz-Thouless transition on the tablecloth manifolds, which may be realizable in both quantum simulators and corrugated two-dimensional materials.

Anderson localization↗