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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Emergent topological polarization textures in relaxor ferroelectrics

Relaxor ferroelectrics underpin high-performance actuators and sensors, yet the nature of polar heterogeneities driving their broadband dielectric response remains debated. Using a unified, multimodal structural refinement framework— simultaneously fitting complementary X-ray and neutron total scattering, X-ray absorption spectra, and diffuse scattering—we reconstruct 3D mesoscale polarization maps in the classic relaxor system PbMg 1/3 Nb 2/3 O 3 –PbTiO 3 . We uncover self-organized swirling polarization textures with half-skyrmion (meron) vortices, challenging models of independent polar nanoregions. These textures, characterized by smooth changes in the polarization direction, originate from overlapping volumes in which the projections of locally correlated polarization vectors onto each volume’s long axis share the same sign. Vortex cores correlate strongly with local charge and strain gradients imposed by compositional heterogeneities. In this work, our results suggest that chemical disorder, acting via depolarizing and strain fields, stabilizes topological vortex textures of the polarization field, offering a route for engineering new dielectric and ferroelectric functionalities.

Eremenko, Maksim [National Institute of Standards ↗
DOE OSTI2025

Multiscale aperture synthesis imager

Synthetic aperture imaging has enabled breakthrough observations from radar to astronomy. However, optical implementation remains challenging due to stringent wavefield synchronization requirements among multiple receivers. Here we present the multiscale aperture synthesis imager (MASI), which utilizes parallelism to break complex optical challenges into tractable sub-problems. MASI employs a distributed array of coded sensors that operate independently yet coherently to surpass the diffraction limit of single receiver. It combines the propagated wavefields from individual sensors through a computational phase synchronization scheme, eliminating the need for overlapping measurement regions to establish phase coherence. Light diffraction in MASI naturally expands the imaging field, generating phase-contrast visualizations that are substantially larger than sensor dimensions. Without using lenses, MASI resolves sub-micron features at ultralong working distances and reconstructs 3D shapes over centimeter-scale fields. MASI transforms the intractable optical synchronization problem into a computational one, enabling practical deployment of scalable synthetic aperture systems at optical wavelengths.

electrical and electronic engineering↗
DOE OSTI2024

Modeling Si/SiGe quantum dot variability induced by interface disorder reconstructed from multiperspective microscopy

SiGe heteroepitaxial growth yields pristine host material for quantum dot qubits, but residual interface disorder can lead to qubit-to-qubit variability that might pose an obstacle to reliable SiGe-based quantum computing. By convolving data from scanning tunneling microscopy and high-angle annular dark field scanning transmission electron microscopy, we reconstruct 3D interfacial atomic structure and employ an atomistic multi-valley effective mass theory to quantify qubit spectral variability. The results indicate (1) appreciable valley splitting (VS) variability of ~50% owing to alloy disorder and (2) roughness-induced double-dot detuning bias energy variability of order 1–10 meV depending on well thickness. For measured intermixing, atomic steps have negligible influence on VS, and uncorrelated roughness causes spatially fluctuating energy biases in double-dot detunings potentially incorrectly attributed to charge disorder. Our approach yields atomic structure spanning orders of magnitude larger areas than post-growth microscopy or tomography alone, enabling more holistic predictions of disorder-induced qubit variability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Small, solubilized platinum nanocrystals consist of an ordered core surrounded by mobile surface atoms

In situ structures of Platinum (Pt) nanoparticles (NPs) can be determined with graphene liquid cell transmission electron microscopy. Atomic-scale three-dimensional structural information about their physiochemical properties in solution is critical for understanding their chemical function. We here analyze eight atomic-resolution maps of small (<3 nm) colloidal Pt NPs. Their structures are composed of an ordered crystalline core surrounded by surface atoms with comparatively high mobility. 3D reconstructions calculated from cumulative doses of 8500 and 17,000 electrons/pixel, respectively, are characterized in terms of loss of atomic densities and atomic displacements. Less than 5% of the total number of atoms are lost due to dissolution or knock-on damage in five of the structures analyzed, whereas 10–16% are lost in the remaining three. Less than 5% of the atomic positions are displaced due to the increased electron irradiation in all structures. The surface dynamics will play a critical role in the diverse catalytic function of Pt NPs and must be considered in efforts to model Pt NP function computationally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

X-ray-imaging spectrometer (XRIS) for studies of residual kinetic energy and low-mode asymmetries in inertial confinement fusion implosions at OMEGA (invited)

A system of x-ray imaging spectrometer (XRIS) has been implemented at the OMEGA Laser Facility and is capable of spatially and spectrally resolving x-ray self-emission from 5 to 40 keV. The system consists of three independent imagers with nearly orthogonal lines of sight for 3D reconstructions of the x-ray emission region. The distinct advantage of the XRIS system is its large dynamic range, which is enabled by the use of tantalum apertures with radii ranging from 50 μm to 1 mm, magnifications of 4 to 35×, and image plates with any filtration level. In addition, XRIS is capable of recording 1–100’s images along a single line of sight, facilitating advanced statistical inference on the detailed structure of the x-ray emitting regions. Properties such as P0 and P2 of an implosion are measured to 1% and 10% precision, respectively. Furthermore, T e can be determined with 5% accuracy.

Adrian, P. J.↗
DOE OSTI2025

Inference of the neutron down-scatter ratio using neutron time-of-flight data for DT-layered implosions on the OMEGA laser

First analysis of the neutron time of flight (nTOF) data is presented to infer the areal density using the neutron down-scatter ratio (DSR) for OMEGA deuterium–tritium (DT)-layered (cryogenic) implosions. The required very-high-dynamic range (nTOF) signal is constructed using an nTOF detector [Forrest et al., Rev. Sci. Ins. 83, 10D919 (2012)] with multiple time-gated photomultiplier tubes. The nTOF data are analyzed using a forward-fit technique to account for the detector responses and infer the DSR and areal density for DT-layered implosions. The areal densities inferred using this analysis are found to be in agreement with the areal densities measured using the magnetic recoil spectrometer detector that is located in a similar line-of-sight. This work establishes the feasibility of the DSR measurement using nTOF data on OMEGA and provides an additional areal-density measurement that will benefit the assessment of the implosion performance and 3D reconstruction of the imploded core.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Design and implementation of the new scintillation light detection system of ICARUS T600

ICARUS T600 is the far detector of the Short Baseline Neutrino program at Fermilab (U.S.A.), which foresees three Liquid Argon Time Projection Chambers along the Booster Neutrino Beam line to search for LSND-like sterile neutrino signal. The T600 detector underwent a significant overhauling process at CERN, introducing new technological developments while maintaining the already achieved performances. The realization of a new liquid argon scintillation light detection system is a primary task of the detector overhaul. As the detector will be subject to a huge flux of cosmic rays, the light detection system should allow the 3D reconstruction of events contributing to the identification of neutrino interactions in the beam spill gate. The design and implementation of the new scintillation light detection system of ICARUS T600 is described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Time calibration and synchronization of the scintillation light detection system in ICARUS-T600

The ICARUS-T600 Liquid Argon (LAr) Time Projection Chamber (TPC) is presently taking data in the Short Baseline Neutrino (SBN) program at Fermilab (U.S.A.) to search for a possible LSND-like sterile neutrino signal at Δm 2 ≈ 1 eV 2 with the Booster Neutrino Beam (BNB). A light detection system, based on 360 large area Photo-Multiplier Tubes (PMTs), has been realized for ICARUS-T600 to detect VUV photons produced by the passage of ionizing particles in LAr. This system is fundamental for the TPC operation, providing an efficient trigger and contributing to the 3D reconstruction of events. Moreover, since the detector is exposed to a huge flux of cosmic rays due to its shallow depths installation, the light detection system allows for the time reconstruction of events, contributing to the identification and to the selection of genuine neutrino interactions. The correct time reconstruction of events requires the precise knowledge of the delay of each PMT channel and a good synchronization of recording electronics, this last based on fast sampling digitizers. To achieve a time resolution better than 1 ns, we perform three consecutive timing corrections deployed at different stages of the optical data flow. Results demonstrate the capability of the ICARUS-T600 light detection system to allow a precise reconstruction of the temporal evolution of each event occurring in the detector and the association of neutrino events with the bunched structure of BNB.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Light detection and cosmic rejection in the ICARUS LArTPC at Fermilab

Abstract The ICARUS-T600 detector is a 760-ton Liquid Argon Time Projection Chamber (LArTPC) currently operating at Fermilab as the Far Detector in the Short Baseline Neutrino (SBN) program. The SBN program is composed of three LArTPCs with a central goal of testing the sterile neutrino hypothesis. After operating for 3-years in the Gran Sasso Underground Laboratory, the ICARUS detector was shipped to CERN where it was outfitted with 360 8” Photomultiplier Tubes (PMTs) for a new optical detection system. The PMT system detects fast scintillation light from charged particles interacting in the Liquid Argon, generating the trigger signal for the full detector and allows 3D reconstruction of events. Now operating at shallow depth, the detector is exposed to a high flux of cosmic rays that can fake neutrino interactions. To mitigate this effect a Cosmic Ray Tagger (CRT) and a 3-meter-thick concrete were installed. Precise timing information from both the PMT and CRT subsystems can help to identify whether an interaction originated from inside or outside of the ICARUS cryostat. This paper reviews a method for cosmogenic background reduction and timing calibration of the CRT and PMT light detection systems in ICARUS.

Instruments & Instrumentation↗
DOE OSTI2025

Designing Antifouling and Antimicrobial Interfaces: Structural Characterization using CryoEM, Automated Microscopy, and AI Image Segmentation

The design of functionalized surfaces for interactions with biological systems is critical across sectors such as healthcare, energy, and agriculture. Tailoring materials for specific applications, such as antifouling and antimicrobial surfaces, demands a comprehensive understanding of topology and chemistry across multiple length and time scales on both biological and materials systems. This work presents the development and characterization of nanostructured surfaces with controlled topographies and chemistries that enhance bacterial membrane disruption, reduce biofilm formation, and improve antimicrobial and antifouling capabilities. Two specific use cases will be presented - the use of cellulose nanocrystals (CNCs) for bacterial growth inhibition and the development of antifouling surfaces to prevent protein and bacterial adsorption [1-4]. By leveraging large language models (LLMs) for image segmentation and training [5], we enable automated analysis of terabyte-scale cryogenic electron microscopy (cryoEM) datasets. This analysis provides statistical insights into the biotic/abiotic interface and facilitates automated electron microscopy experiments to mitigate time and dose. The integration of cryogenic electron tomography (cryoET) and cryogenic focused ion beam (cryoFIB) milling enables high-resolution, near-native-state imaging and 3D reconstructions of bio/material interfaces [6]. Orthogonal characterization techniques and computational modeling further enhances our understanding, offering a robust platform for the design and optimization of next-generation functional surfaces [7].

Williams, Alexis [ORNL] (ORCID:0000000252835822)↗
DOE OSTI2022

The Tianlai dish array low-z surveys forecasts

Here, we present the science case for surveys with the Tianlai dish array interferometer tuned to the [1300, 1400] MHz frequency range. Starting from a realistic generation of mock visibility data according to the survey strategy, we reconstruct maps of the sky and perform foreground subtraction. We estimate the level of residuals from imperfect subtraction, mostly due to mode mixing, i.e. distortions in the reconstructed 3D maps due to frequency-dependent instrument response. We show that a survey of the North Celestial Polar cap during a year of observations, covering an area of 150 deg 2 , would reach a sensitivity of $1.5-2 mK per 1 MHz x 0.25 2 deg 2 voxel and be marginally impacted by mode mixing. Tianlai would be able to detect ~10 nearby massive H i clumps as well as a very strong cross-correlation signal of 21 cm intensity maps with the North Celestial Cap Survey optical galaxies. We also studied the performance of a mid-latitude survey, covering ~ 1500 deg 2 overlapping the SDSS footprint. Despite a higher noise level for the mid-latitude survey, as well as significant distortions due to mode mixing, Tianlai would be able to detect a highly significant cross-correlation between the 21 cm signal and the Sloan spectroscopic galaxy sample. Using the extragalactic signals measured from either or both of these surveys, and comparing them with simulations such as those presented here will make it possible to assess the impact of various instrumental imperfections on the Tianlai dish array performance. This would pave the way for future intensity mapping surveys with higher sensitivity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Planar 2D wireframe DNA origami

Two-dimensional (2D) DNA origami is widely used for applications ranging from excitonics to single-molecule biophysics. Conventional, single-layer 2D DNA origami exhibits flexibility and curvature in solution; however, that may limit its suitability as a 2D structural template. In contrast, 2D wireframe DNA origami rendered with six-helix bundle edges offers local control over duplex orientations with enhanced in-plane rigidity. Here, we investigate the 3D structure of these assemblies using cryo–electron microscopy (cryo-EM). 3D reconstructions reveal a high degree of planarity and homogeneity in solution for polygonal objects with and without internal mesh, enabling 10-Å resolution for a triangle. Coarse-grained simulations were in agreement with cryo-EM data, offering molecular structural insight into this class of 2D DNA origami. Our results suggest that these assemblies may be valuable for 2D material applications and geometries that require high structural fidelity together with local control over duplex orientations, rather than parallel duplex assembly.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Accelerating Advanced Light Source Science Through Multi-Facility HPC Workflows

Synchrotron light sources support a wide array of techniques to investigate materials, often producing complex, high-volume data that challenge traditional workflows. At the Advanced Light Source (ALS), we developed infrastructure to move microtomography data over ESnet to ALCF and NERSC, where CPU- and GPU-based algorithms generate 3D reconstructed volumes of experimental samples. We employ two data movement and reconstruction models: real-time processing as data streams directly to NERSC compute nodes, and automated file transfer to NERSC and ALCF file systems. The streaming pipeline provides users with feedback in under ten seconds, while the file-based workflow produces high-quality reconstructions suitable for deeper analysis in 20-30 minutes. This infrastructure enables users to utilize HPC resources without direct access to backend systems. We plan to extend this architecture to more endstations, supporting our beamline scientists and users.

Abramov, David↗
DOE OSTI2023

Three-dimensional nanoscale reduced-angle ptycho-tomographic imaging with deep learning (RAPID)

X-ray ptychographic tomography is a nondestructive method for three dimensional (3D) imaging with nanometer-sized resolvable features. The size of the volume that can be imaged is almost arbitrary, limited only by the penetration depth and the available scanning time. Here we present a method that rapidly accelerates the imaging operation over a given volume through acquiring a limited set of data via large angular reduction and compensating for the resulting ill-posedness through deeply learned priors. The proposed 3D reconstruction method “RAPID” relies initially on a subset of the object measured with the nominal number of required illumination angles and treats the reconstructions from the conventional two-step approach as ground truth. It is then trained to reproduce equal fidelity from much fewer angles. After training, it performs with similar fidelity on the hitherto unexamined portions of the object, previously not shown during training, with a limited set of acquisitions. In our experimental demonstration, the nominal number of angles was 349 and the reduced number of angles was 21, resulting in a x140 aggregate speedup over a volume of 4.48 x 93.18 x 3.92 μm 3 and with (14nm) 3 feature size, i.e. ~ 10 8 voxels. RAPID’s key distinguishing feature over earlier attempts is the incorporation of atrous spatial pyramid pooling modules into the deep neural network framework in an anisotropic way. We found that adjusting the atrous rate improves reconstruction fidelity because it expands the convolutional kernels’ range to match the physics of multi-slice ptychography without significantly increasing the number of parameters.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

3D diffractive imaging of nanoparticle ensembles using an x-ray laser

Single particle imaging at x-ray free electron lasers (XFELs) has the potential to determine the structure and dynamics of single biomolecules at room temperature. Two major hurdles have prevented this potential from being reached, namely, the collection of sufficient high-quality diffraction patterns and robust computational purification to overcome structural heterogeneity. We report the breaking of both of these barriers using gold nanoparticle test samples, recording around 10 million diffraction patterns at the European XFEL and structurally and orientationally sorting the patterns to obtain better than 3-nm-resolution 3D reconstructions for each of four samples. With these new developments, integrating advancements in x-ray sources, fast-framing detectors, efficient sample delivery, and data analysis algorithms, we illuminate the path towards sub-nanometer biomolecular imaging. The methods developed here can also be extended to characterize ensembles that are inherently diverse to obtain their full structural landscape.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Atomic-scale cryogenic electron microscopy imaging of self-assembled peptoid nanostructures

Amphiphilic polypeptoids with defined sequences, versatile in forming various nanostructures, are ideal for mimicking biomacromolecular structures. The predictive design of nanostructures depends on our understanding of the relationship between molecular structure and the locations of atoms in the nanostructure. Factors of importance include chain conformation, crystal motifs, and the arrangement of the molecules within the nanostructure. Here, this review introduces the cryogenic transmission electron microscopy (cryo-TEM) method, sorting and averaging unit cells in nanosheets for resolution enhancement and identifying structural heterogeneity. The resulting atomic-scale images reveal the presence of two types of crystal motifs. The impact of processing conditions, capping group chemistry, and side chain chemistry on structural heterogeneity and crystal motifs can be quantified. The 3D reconstruction of nanosheets, wherein atomic-scale corrugations were revealed, is introduced in this review. New developments in cryo-TEM, such as phase retrieval reconstruction, hold great promise for atomic-scale imaging of soft nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Imaging of Calibrated Defects in Additively Manufactured Materials: Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components

Additive manufacturing (AM, or 3D printing) for commercial nuclear energy applications is an emerging method for cost-efficient manufacturing aimed at replacing aging nuclear reactor parts and reducing costs for new construction. Known material flaws in AM include low-density regions consisting of non-sintered powder, which have to be detected to ensure the safety of long-term performance nuclear reactor components. Currently, limited options are available for nondestructive evaluation (NDE), either during or post manufacturing. As a solution to NDE of AM, we are developing pulsed thermal imaging which is non-contact, one-sided, and scalable to arbitrary size and shape of the AM parts. Pulsed thermography (PT) system utilizes a high intensity flash lamp to rapidly heat surface of sample, and a high sensitivity fast-frame megapixel infrared (IR) camera to capture data of surface temperature variations. The acquired data cube consists of a stack of surface temperature images taken at different times. Information about material internal defects is extracted by analyzing the data cube. This report provides results of preliminary performance evaluation of pulsed thermal imaging capability in detection of imprinted flaws in AM metallic structures. The flaws were introduced into AM parts as imprinted hemispherical low density regions, consisting of trapped un-sintered metallic powder. Specimens for developed for this study consisted of AM stainless steel 316 and Inconel 718 plates. The diameters of imprinted defects varied from 1mm to 8mm, and their depths below the plate flat surface varied between 1mm and 6mm. Pulsed thermal tomography (PTT) processes the measured data cube to obtain 3D reconstructions of material effusivity using a unique inversion algorithm developed at Argonne. PTT has been previously used in imaging of similar size flat bottom hole (FBH) simulated defects in stainless steel 316 and Inconel 718 specimens. In the study involving AM specimens, PTT imaging results have shown that 1mm-diameter defects located 1mm and 2mm below the surface of specimens were detectable. Larger size defects were detectable at greater depth. We also explored an alternative approach to detection of material flaws in PT data cube, which is using neural learning-based approach to blind source separation. Detection of small material defects requires finding features in the data cube which have signal contrast levels approaching sensitivity limit of IR camera. In this study, an optimized Neural Learning based Blind Source Separation (NLBSS) algorithm, including Principal Component Analysis (PCA), and Independent Component Analysis (ICA) is demonstrated to automatically extract principal temporal and spatial features of thermography frames to enhance flaw detection. By using the NLBSS algorithm, material internal defects can be automatically detected. Furthermore, this processing approach compensates for experimental thermal imaging artifacts, such as noise and uneven heating. By merging artificial intelligence with phtotothermics, the NDE system detects internal calibrated defects of various sizes and depths in AM nuclear-grade metallic alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multidisciplinary Research and Development at the Dual-Axis Radiograph Hydrodynamic Test Facility (DARHT) [Slides]

DARHT is the nation’s premiere flash radiography facility. Flash radiography allows interior views of complex structures that are rapidly moving. DARHT is used to image the implosion of mock weapon assemblies containing surrogate materials. DARHT is the only dual-axis facility in the nation enabling 3D reconstructions, with multi-pulse capability for multiple time points. DARHT is an essential facility for Science-based Stockpile Stewardship at LANL and within the NNSA complex.

43 PARTICLE ACCELERATORS↗