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DOE OSTI2025

Nano-laminography with a transmission X-ray microscope

Nano-laminography combines the penetrating power of hard X-rays with a tilted rotational geometry to deliver high-resolution, three-dimensional images of laterally extended, flat specimens that are otherwise incompatible with, or difficult to image using, conventional nano-tomography. In this work, we demonstrate a full-field, X-ray nano-laminography system implemented with the transmission X-ray microscope at beamline 32-ID of the upgraded Advanced Photon Source at Argonne National Laboratory, USA. By rotating the sample around an axis inclined by 20° to the incident beam, the technique minimizes the long optical path lengths that would otherwise generate excessive artifacts when planar samples are imaged edge-on. The efficiency of the technique is demonstrated with 50 nm spatial resolution and minute-scale temporal resolution 3D imaging of a planar integrated circuit sample and targeted imaging of an individual particle within a powder sample, where mounting procedures are typically challenging in regular nano-tomography. The sample mounting strategy, data acquisition, and reconstruction method will also be discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Machine Learning Atom Probe Tomography Tool For Automatic And Fast Clustering

The software uses a YOLO11 segmentation model trained on synthetic data to analyze APT datasets. The workflow operates as follows: 1. Data Slicing: The APT dataset is divided into multiple 2D cross-sections of a specified thickness. 2. Segmentation: The model identifies point-dense regions within each 2D slice. 3. 3D Reconstruction: Detected regions (masks) from all slices are combined and reconstructed back into the original 3D space, forming clusters. The integration with HPC resources enables the software to process large-scale APT datasets efficiently. This combination of automation and scalability reduces manual intervention, improves reproducibility, and accelerates the clustering workflow.

Tang, Yalei [Idaho National Laboratory (INL), Idah↗

DOE OSTI2020

Large Scale Simulations of Quantum Systems on HPC with Analytics for HEP Algorithms

The objective of this work is to combine HEP simulation experience with HPC quantum systems simulations to provide an environment for executing large-scale experiments with advanced analysis capabilities for studying multi-qubit and multi-level reduced-noise, long coherence time quantum systems such as 3D Superconducting RF (SRF) cavities integrated with transmon qubits.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Novel frequency tunable systems for superconducting cavities (Abbreviated Report)

Ultra-low loss microwave resonant cavities are the backbone of quantum information science (QIS) and axion/dark matter detection (ADMX), but one of the challenges in developing 3D cavity systems has been finding a tuning mechanism that does not drastically reduce the cavity quality factor (Q) but still provides a large operating bandwidth. To alleviate this limitation, we proposed to fabricate a high-Q, 3D microwave cavity with an integrated hybrid mechanical/electrical tuning scheme to achieve both coarse and rapid fine tuning. We implemented two tuning schemes: one using a shift in kinetic inductance and one utilizing mechanical motion. We found that the kinetic inductance method did not yield any tunability in the cavity mode, but the mechanical adjustment successfully moved the cavity resonance. The quality factors obtained were lower than originally proposed, but there is potential to improve the design on further iterations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

FY25 MOOSE Usability Improvements: 3D Meshing Capabilities, Initiation of Geometry Support for Monte Carlo Tools, and Enhancement of MOOSE/Workbench User Input Interactions

Usability improvements have been made to MOOSE and Workbench in FY25 to enhance usability and user workflows. Assorted enhancement have been made to MOOSE’s intrinsic meshing capabilities in order to enable more flexible and complex meshing of nuclear reactor systems, in particular for 3D applications. Mesh generators have been added to perform operations such as batch mesh generation, surface mesh generation, and creation of 3D transition layers. These mesh generation capabilities make it much easier to generate high quality non-extruded 3D meshes. Additionally, work to integrate Monte Carlo reactor physics simulations into MOOSE-based multi-physics workflows has reached another milestone with the implementation of the Constructive Solid Geometry (CSG) base framework. This framework lays the foundation for mesh generators to offer the user a generic CSG output option (as opposed to a finite element mesh). To support users, workshop on the MOOSE Reactor Module was delivered which featured hands-on examples using the NEAMS Workbench on INL’s High Performance Computing system. Recent updates to the NEAMS Workbench, WASP, and the MOOSE language server have introduced several improvements aimed at making MOOSE-based simulation setup and input management faster, more accurate, and easier to use. Key capabilities that have been added include multi-tab-stop autocompletion, visual input diagnostics, developer-directed data visualizations, upgraded ParaView integration, and Workspace-level file tracking. Together, these changes make it easier for users to build, validate, and manage complex MOOSE-based simulation models — especially those involving reusable components, included files, and datasets. The improvements are designed to save time, reduce input errors, and help users get to a successful simulation run faster, with more confidence in the results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

MXene-Based Porous Monoliths

In the past decade, a thriving family of 2D nanomaterials, transition-metal carbides/nitrides (MXenes), have garnered tremendous interest due to its intriguing physical/chemical properties, structural features, and versatile functionality. Integrating these 2D nanosheets into 3D monoliths offers an exciting and powerful platform for translating their fundamental advantages into practical applications. Introducing internal pores, such as isotropic pores and aligned channels, within the monoliths can not only address the restacking of MXenes, but also afford a series of novel and, in some cases, unique structural merits to advance the utility of the MXene-based materials. Here, a brief overview of the development of MXene-based porous monoliths, in terms of the types of microstructures, is provided, focusing on the pore design and how the porous microstructure affects the application performance.

2D nanomaterials↗

DOE OSTI2025

CoCoMET v1.0: a unified open-source toolkit for atmospheric object tracking and analysis

Advances in performance and analysis capabilities have accelerated the development of object tracking algorithms for atmospheric research. This has resulted in a growing number of studies using Lagrangian tracking techniques to analyze the evolution of atmospheric phenomena and the underlying processes. However, the increasing complexity and variety of tracking algorithms present a steep learning curve for new users and make it difficult for existing users to compare algorithm performance. We introduce CoCoMET (Community Cloud Model Evaluation Toolkit), an open-source toolkit that addresses these issues. CoCoMET simplifies the process of running multiple tracking algorithms simultaneously and analyzing objects in both model and observational datasets by specifying parameters in a single configuration file. It standardizes input data from different sources into a consistent format and unifies the tracking output across algorithms. CoCoMET enhances the functionality of existing tracking methods by calculating additional properties such as cell growth and dissipation rates, perimeter, surface area, convexity, and irregularity. In addition, CoCoMET includes a novel method for identifying mergers and splits in 2D and 3D tracks and supports the integration of Eulerian/stationary datasets external to the tracking data for process studies. Its potential utility is demonstrated through examples of model intercomparison, model evaluation against observations, and comparisons between tracking algorithms. Designed for open-source environments, CoCoMET will continue to expand with future releases, incorporating more input data types and tracking algorithms.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1993

Spatial simulation of secondary instability in plane channel flow - Comparison of K- and H-type disturbances

This study involves a numerical simulation of spatially evolving secondary instability in plane channel flow. The computational algorithm integrates the time-dependent, 3D, incompressible Navier-Stokes equations by a mixed finite-difference/spectral technique. In particular, we are interested in the differences between instabilities instigated by Klebanoff (K-) type and Herbert (H-) type inflow conditions, and in comparing the present spatial results with previous temporal models. It is found that for the present inflow conditions, H-type instability is biased towards one of the channel walls, while K-type instability evolves on both walls. For low initial perturbation amplitudes, H-type instability exhibits higher growth rates than K-type instability, while higher initial amplitudes lead to comparable growth rates of both H- and K-type instability. In H-type instability, spectral analysis reveals the presence of the subharmonic 2D mode which promotes the growth of the 3D spanwise and fundamental modes through nonlinear interactions. An intermodal energy transfer study demonstrates that there is a net energy transfer from the 3D modes to the 2D mode. This analysis also indicates that the mean mode transfers net energy to the 2D subharmonic mode and to the 3D modes.

Saiki, E. M.↗

DOE OSTI2022

Advancing Geophysical Techniques to Image a Stratigraphic Hydrothermal Resource

Sedimentary-hosted geothermal energy systems are permeable structural, structural-stratigraphic, and/or stratigraphic horizons with sufficient temperature for direct use and/or electricity generation. Sedimentary-hosted (i.e., stratigraphic) geothermal reservoirs may be present in multiple locations across the central and eastern Great Basin of the USA, thereby constituting a potentially large base of untapped, economically accessible energy resources. Sandia National Laboratories has partnered with a multi disciplinary group of collaborators to evaluate a stratigraphic system in Steptoe Valley, Nevada using both established and novel geophysical imaging techniques. The goal of this study is to inform an optimized strategy for subsequent exploration and development of this resource and analogous ones. Building from prior Nevada Play Fairway Analysis (PFA), this team is primarily 1) collecting additional geophysical data, 2) employing novel joint geophysical inversion/modeling techniques to update existing 3D geologic models, and 3) integrating the geophysical results to produce a working, geologically constrained thermo-hydrological reservoir model. Prior PFA work highlights Steptoe Valley as a favorable resource basin that likely has both sedimentary and hydrothermal characteristics. However, there remains significant uncertainty on the nature and architecture of the resource(s) at depth, which increases the risk in exploratory drilling. Newly acquired gravity, magnetic, magnetotelluric, and controlled-source electromagnetic data products, in conjunction with new and preexisting geoscientific measurements and observations, are being integrated and evaluated for efficacy in understanding stratigraphic geothermal resources and mitigating exploration risk. Furthermore, the influence of hydrothermal activity on sedimentary-hosted reservoirs in favorable structural settings, and whether fault-controlled systems may locally enhance temperature and permeability in some deep stratigraphic reservoirs, will also be evaluated.

Geothermal, Sedimentary Heat, Geophysics, Seismic,↗

NASA NTRS2000

NASA's 3D Flight Computer for Space Applications

The New Millennium Program (NMP) Integrated Product Development Team (IPDT) for Microelectronics Systems was planning to validate a newly developed 3D Flight Computer system on its first deep-space flight, DS1, launched in October 1998. This computer, developed in the 1995-97 time frame, contains many new computer technologies previously never used in deep-space systems. They include: advanced 3D packaging architecture for future low-mass and low-volume avionics systems; high-density 3D packaged chip-stacks for both volatile and non-volatile mass memory: 400 Mbytes of local DRAM memory, and 128 Mbytes of Flash memory; high-bandwidth Peripheral Component Interface (Per) local-bus with a bridge to VME; high-bandwidth (20 Mbps) fiber-optic serial bus; and other attributes, such as standard support for Design for Testability (DFT). Even though this computer system did not complete on time for delivery to the DS1 project, it was an important development along a technology roadmap towards highly integrated and highly miniaturized avionics systems for deep-space applications. This continued technology development is now being performed by NASA's Deep Space System Development Program (also known as X2000) and within JPL's Center for Integrated Space Microsystems (CISM).

Alkalai, Leon↗

NASA NTRS1999

NASA'S 3D FLIGHT COMPUTER FOR SPACE APPLICATIONS

New↗

NASA NTRS2000

3D Higher Order Modeling in the BEM/FEM Hybrid Formulation

Higher order divergence- and curl-conforming bases have been shown to provide significant benefits, in both convergence rate and accuracy, in the 2D hybrid finite element/boundary element formulation (P. Fink and D. Wilton, National Radio Science Meeting, Boulder, CO, Jan. 2000). A critical issue in achieving the potential for accuracy of the approach is the accurate evaluation of all matrix elements. These involve products of high order polynomials and, in some instances, singular Green's functions. In the 2D formulation, the use of a generalized Gaussian quadrature method was found to greatly facilitate the computation and to improve the accuracy of the boundary integral equation self-terms. In this paper, a 3D, hybrid electric field formulation employing higher order bases and higher order elements is presented. The improvements in convergence rate and accuracy, compared to those resulting from lower order modeling, are established. Techniques developed to facilitate the computation of the boundary integral self-terms are also shown to improve the accuracy of these terms. Finally, simple preconditioning techniques are used in conjunction with iterative solution procedures to solve the resulting linear system efficiently. In order to handle the boundary integral singularities in the 3D formulation, the parent element- either a triangle or rectangle-is subdivided into a set of sub-triangles with a common vertex at the singularity. The contribution to the integral from each of the sub-triangles is computed using the Duffy transformation to remove the singularity. This method is shown to greatly facilitate t'pe self-term computation when the bases are of higher order. In addition, the sub-triangles can be further divided to achieve near arbitrary accuracy in the self-term computation. An efficient method for subdividing the parent element is presented. The accuracy obtained using higher order bases is compared to that obtained using lower order bases when the number of unknowns is approximately equal. Also, convergence rates obtained using higher order bases are compared to those obtained with lower order bases for selected sample

Fink, P. W.↗

NASA NTRS1991

A finite element conjugate gradient FFT method for scattering

Validated results are presented for the new 3D body of revolution finite element boundary integral code. A Fourier series expansion of the vector electric and mangnetic fields is employed to reduce the dimensionality of the system, and the exact boundary condition is employed to terminate the finite element mesh. The mesh termination boundary is chosen such that is leads to convolutional boundary operatores of low O(n) memory demand. Improvements of this code are discussed along with the proposed formulation for a full 3D implementation of the finite element boundary integral method in conjunction with a conjugate gradiant fast Fourier transformation (CGFFT) solution.

Collins, Jeffery D.↗

DOE OSTI2021

Integrating helicoid channels for passive control of fiber alignment in direct-write 3D printing

3D printing of fiber-reinforced composites has been receiving increasing attention as an efficient additive approach enabling lightweight, functional, and high-performance components required for industrial applications. The properties of fiber composites significantly depend on internal microstructures, including fiber orientation, distribution, and degree of alignment. Although multiple strategies have been introduced for controlling the fiber composites microstructures, these strategies are mostly active approaches relying on additional control of mechatronics parts, external forces, or intentionally introduced unstable flows inside narrow nozzles. These methods suffer from higher risk of nozzle clogging and requiring extra parts in 3D printing. Here, we introduce helicoid channels into extrusion system as a passive approach to control the fiber alignment without any additional moving parts in direct-write 3D printing. The helicoid channels automatically guide the composite inks and align fibers before flowing into narrow nozzle space, avoiding clogging and improving printability. The analyses indicate that both helicoid surface to volume ratio and helix angle affect the pre-alignment of fibers, leading to tunable mechanical properties of printed fiber-reinforced composites with increased stiffness and strength up to 77.6% and 47.8%, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A high-resolution, 3D groundwater-surface water simulation of the contiguous US: Advances in the integrated ParFlow CONUS 2.0 modeling platform

Not Available

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2017

Time Dependence of Collision Probabilities During Satellite Conjunctions

The NASA Conjunction Assessment Risk Analysis (CARA) team has recently implemented updated software to calculate the probability of collision (P (sub c)) for Earth-orbiting satellites. The algorithm can employ complex dynamical models for orbital motion, and account for the effects of non-linear trajectories as well as both position and velocity uncertainties. This “3D P (sub c)” method entails computing a 3-dimensional numerical integral for each estimated probability. Our analysis indicates that the 3D method provides several new insights over the traditional “2D P (sub c)” method, even when approximating the orbital motion using the relatively simple Keplerian two-body dynamical model. First, the formulation provides the means to estimate variations in the time derivative of the collision probability, or the probability rate, R (sub c). For close-proximity satellites, such as those orbiting in formations or clusters, R (sub c) variations can show multiple peaks that repeat or blend with one another, providing insight into the ongoing temporal distribution of risk. For single, isolated conjunctions, R (sub c) analysis provides the means to identify and bound the times of peak collision risk. Additionally, analysis of multiple actual archived conjunctions demonstrates that the commonly used “2D P (sub c)” approximation can occasionally provide inaccurate estimates. These include cases in which the 2D method yields negligibly small probabilities (e.g., P (sub c)) is greater than 10 (sup -10)), but the 3D estimates are sufficiently large to prompt increased monitoring or collision mitigation (e.g., P (sub c) is greater than or equal to 10 (sup -5)). Finally, the archive analysis indicates that a relatively efficient calculation can be used to identify which conjunctions will have negligibly small probabilities. This small-P (sub c) screening test can significantly speed the overall risk analysis computation for large numbers of conjunctions.

Hall, Doyle T.↗

NASA NTRS2010

Advances in HgCdTe APDs and LADAR Receivers

Raytheon is developing NIR sensor chip assemblies (SCAs) for scanning and staring 3D LADAR systems. High sensitivity is obtained by integrating high performance detectors with gain i.e. APDs with very low noise Readout Integrated Circuits. Unique aspects of these designs include: independent acquisition (non-gated) of pulse returns, multiple pulse returns with both time and intensity reported to enable full 3D reconstruction of the image. Recent breakthrough in device design has resulted in HgCdTe APDs operating at 300K with essentially no excess noise to gains in excess of 100, low NEP <1nW and GHz bandwidths and have demonstrated linear mode photon counting. SCAs utilizing these high performance APDs have been integrated and demonstrated excellent spatial and range resolution enabling detailed 3D imagery both at short range and long ranges. In this presentation we will review progress in high resolution scanning, staring and ultra-high sensitivity photon counting LADAR sensors.

Bailey, Steven↗

DOE OSTI2023

Holographic Fabrication of 3D Moiré Photonic Crystals Using Circularly Polarized Laser Beams and a Spatial Light Modulator

A moiré photonic crystal is an optical analog of twisted graphene. A 3D moiré photonic crystal is a new nano-/microstructure that is distinguished from bilayer twisted photonic crystals. Holographic fabrication of a 3D moiré photonic crystal is very difficult due to the coexistence of the bright and dark regions, where the exposure threshold is suitable for one region but not for the other. In this paper, we study the holographic fabrication of 3D moiré photonic crystals using an integrated system of a single reflective optical element (ROE) and a spatial light modulator (SLM) where nine beams (four inner beams + four outer beams + central beam) are overlapped. By modifying the phase and amplitude of the interfering beams, the interference patterns of 3D moiré photonic crystals are systemically simulated and compared with the holographic structures to gain a comprehensive understanding of SLM-based holographic fabrication. We report the holographic fabrication of phase and beam intensity ratio-dependent 3D moiré photonic crystals and their structural characterization. Superlattices modulated in the z-direction of 3D moiré photonic crystals have been discovered. This comprehensive study provides guidance for future pixel-by-pixel phase engineering in SLM for complex holographic structures.

42 ENGINEERING↗