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DOE OSTI2022

Metasurface-assisted 3D beam shaping for desired phase, amplitude, and polarization

Cascaded metasurfaces can control the phase, amplitude and polarization of an electromagnetic beam, shaping it in three dimensional configuration not achievable with other methods. Each cascaded metasurface has dielectric or metallic scatterers arranged in a period array. The shape of the scatterers determines the three dimensional configuration of the output beam and is determined with iterative calculations through computational simulations.

Kamali, Seyedeh Mahsa↗

DOE OSTI2023

Metasurface-assisted 3D beam shaping using array of scatterers

Kamali, Seyedeh Mahsa↗

NASA NTRSDate not supplied

Visualization and 3D Mesh Generation for ASSEMBLERS Range of Motion

In an effort to create a base and foundation for ASSEMBLERS with an informed layout, data representing the range of motion of varying heights of Stewart platforms were analyzed. 3D shapes were generated first to be approximately representative of these data in the form of rotationally symmetric shells, making use of 2D alpha shapes to create a border that did not account for asymmetry inherent in the true range of motion. Further work was performed to generate mesh files more fully representative of reach, creating 3D alpha shapes based directly on point clouds generated from uniformly random platform positions. These shapes were initially not representative of the entire range of motion of a platform stack due to the low likelihood of the most extreme positions being added to a given point cloud but were more representative of the asymmetry inherent in the possible positions of a Stewart platform as they no longer relied on a single 2D contour. The same algorithm for generating 3D alpha shapes was then applied to point clouds designed to represent extreme positions, generating larger smooth shells with six clear planes of symmetry. All shells were converted to STLs to aid in further modeling of range of motion for base layouts and in visualizing reachable area for varying stack heights, successfully creating closed shells representative of typical and extreme positions for platform stacks of varying heights.

Jonah DeGuire Vanke↗

NASA NTRS1988

Shape optimization of 3D continuum structures via force approximation techniques

The existing need to develop methods whereby the shape design efficiency can be improved through the use of high quality approximation methods is addressed. An efficient approximation method for stress constraints in 3D shape design problems is proposed based on expanding the nodal forces in Taylor series with respect to shape variations. The significance of this new method is shown through elementary beam theory calculations and via numerical computations using 3D solid finite elements. Numerical examples including the classical cantilever beam structure and realistic automotive parts like the engine connecting rod are designed for optimum shape using the proposed method. The numerical results obtained from these methods are compared with other published results, to assess the efficiency and the convergence rate of the proposed method.

Vanderplaats, Garret N.↗

NASA NTRS2020

Optical Navigation for Autonomous Approach of Small Unknown Bodies

State of the practice in navigation around small celestial bodies heavily relies on ground sup- port and human skill, in particular, for perception-based operations such as optical navigation and mapping. This leads to longer duration and more complex mission operations and sub- sequently higher cost. Furthermore, it imposes limitations for certain missions such as fast fly-bys or multi-agent operations. In this work, we present an autonomous navigation strat- egy suitable for approaching small unexplored bodies. During the approach, we estimate the body’s physical properties as well as the spacecraft’s relative trajectory and associated un- certainties. The autonomous navigation strategy, which is solely based on optical measure- ments, begins as soon as the body becomes resolved in the navigation camera and terminates at the start of proximity operations, when the spacecraft makes its first trajectory correction to stay in the vicinity of the body. Our strategy uses multiple image-processing algorithms: light-curve analysis for estimating the target body’s rotation rate, Shape-from-Silhouette for reconstructing the 3D shape and estimating its rotation pole, and feature tracking tailored to Small-Body images for estimating relative navigation parameters. We used the Mission Analysis, Operations, and Navigation Toolkit Environment (MONTE) developed by the Jet Propulsion Laboratory to evaluate the feasibility of this multi-phase navigation strategy using simulated images of an approach trajectory. We used the Rosetta mission data to generate photorealistic images to characterise the performance of this approach. This work is based on the assumptions that the spacecraft attitude is known, the body is a principal-axis rotator, a-priori estimates of ephemerides and scale are available, and the body is observed from a zero sun phase only during initial approach. Preliminary results show orbit determination performance that is on par with the human navigation from the Rosetta mission; albeit with a 1% bias in spacecraft-target radial distance estimate. The bias error is likely due to the robustness and accuracy of the visual tracking under dynamic lighting conditions and per- spective changes, which decrease accuracy.

Villa, Jacopo↗

DOE OSTI2021

Application of transport-based metric for continuous interpolation between cryo-EM density maps

Cryogenic electron microscopy (cryo-EM) has become widely used for the past few years in structural biology, to collect single images of macromolecules "frozen in time". As this technique facilitates the identification of multiple conformational states adopted by the same molecule, a direct product of it is a set of 3D volumes, also called EM maps. To gain more insights on the possible mechanisms that govern transitions between different states, and hence the mode of action of a molecule, we recently introduced a bioinformatic tool that interpolates and generates morphing trajectories joining two given EM maps. This tool is based on recent advances made in optimal transport, that allow efficient evaluation of Wasserstein barycenters of 3D shapes. As the overall performance of the method depends on various key parameters, including the sensitivity of the regularization parameter, we performed various numerical experiments to demonstrate how MorphOT can be applied in different contexts and settings. Finally, we discuss current limitations and further potential connections between other optimal transport theories and the conformational heterogeneity problem inherent with cryo-EM data.

3D shapes↗

NASA NTRS1992

Design of fabric preforms for double diaphragm forming

Resin Transfer Molding (RTM) has the potential of becoming one of the most cost effective ways of producing composite structures since the raw materials used, resin and dry fabric, are less costly than prepregs. Unfortunately these low material costs are offset by the high labor costs incurred to layup the dry fabric into 3D shapes. To reduce the layup costs, double diaphragm forming is being investigated as a potential technique for creating a complex 3D preform from a simple flat layup. As part of our effort to develop double diaphragm forming into a production capable process, we have undertaken a series of experiments to investigate the interactions between process parameters, mold geometry, fabric weave, tow size, and the quality of the formed part. The results of these tests will be used to determine the forming geometry limitations of double diaphragm forming and to characterize the formability of fabric configurations. An important part of this work was the development of methods to measure and analyze fiber orientations, deformation angles, tow spreading, and shape conformation of the formed parts. This paper will describe the methods used to mark plies, the double diaphragm forming process, the techniques used to measure the formed parts, and the calculation of the parameters of interest. The results can be displayed as 3D contour plots. These experimental results have also been used to verify and improve a computer model which simulates the draping of fabrics over 3D mold shapes.

Luby, Steven↗

DOE OSTI2020

Functional Photoresists for Energy Applications. Final Report

Monolithic ultralow-density porous bulk materials have recently attracted much interest due to many emerging applications in the areas of catalysis, energy storage and conversion, and thermal insulation. They are also important components of high energy density (HED) and inertial confinement fusion (ICF) targets. However, despite tremendous progress that has been made in the synthesis of porous materials, deterministic and independent control over microscopic architecture, density and composition remain key issues, and their integration in high precision devices requires cost and time-intensive mechanical machining that not only reduces reproducibility by generating debris but also limits the complexity of the 3D shapes that can be realized. In this project, we overcame these limitations by developing a universal templating capability that provides deterministic and independent control over density, composition, architecture, and macroscopic sample shape. This was achieved by developing the technology to 1) 3D print ultrahigh resolution, ultra-high precision polymeric micro-lattice templates, 2) coat these templates with the desired materials, and 3) removing the template (Fig. 1a). Atomic layer deposition (ALD) provides the atomic scale coating thickness accuracy required for precisely controlling density. While this templating approach had been demonstrated in prior work, limitations in suitable photoresists, 3D print technologies, print design, and template removal techniques did not allow the fabrication of millimeter-sized high-precision parts with sub-micron resolution. To enable this technology, we developed 1) two-photon polymerization (TPP) print designs that enable the fabrication of millimeter-sized, mechanically robust polymeric templates with sub-micron resolution and 2) a continuum level TPP printing simulation capability for additional print design guidance; 3) atomistic models to study photoresist polymerization kinetics and network topography, 4) refractive index matched polymeric and preceramic TPP photoresists, and 5) functional TPP photoresists including porous voxel structures and self-immolative polymer photoresist chemistries; and 6) damage free template removal techniques that enable the fabrication of defect-free high-precision low-density foam components. We also developed a templating approach for pure carbon microlattices with a unique tube-in-tube ligament morphology. As a test platform, we pursued the fabrication of foam liners that promise to further increase the neutron yield in indirect drive ICF experiments by improving implosion symmetry control and coupling between the laser and the deuterium-tritium fuel. This application requires fabrication and integration of a ultra-high precision, millimeter-sized, thin-walled (200-400 micrometer thick), low-density (10-30 mg/cc), high atomic number (high Z) cylindrical foam tube into the gold hohlraum of an indirect drive ICF target (Fig. 1b). While our hohlraum liner test case will mainly find application in HED and ICF experiments, the underlying science will also directly apply to previously developed nanoparticle and additive manufacturing technologies and will advance those techniques as well.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Characterizing Detailed Grain Shape and Size Distribution Properties of Lunar Regolith

Introduction: As the nation prepares to return to the Moon, there is an increasing need for testing tools, instruments, and equipment in simulated environments on Earth to ensure successful operations during lunar missions. Regolith will affect all aspects of future lunar missions, from plume interactions during landing to space suit and tool design [1]. Because of this, it is important to understand the grain shape and size properties of lunar regolith and how those influence regolith behavior in order to prepare for these missions. This knowledge is also vital to create more accurate lunar regolith simulants for testing equipment in a lunar environment. While particle size analyses have been performed on most Apollo soils using simple sieving, shape has only been crudely addressed [2]. This work analyzes 4 lunar regolith samples to provide a better understanding of these size and shape parameters and will provide a more accurate baseline of data to create high-fidelity lunar regolith simulants. Methods: New technologies exist today that are capable of measuring size and shape simultaneously for hundreds of thousands of particles in a single measurement. We conducted a rigorous analysis of the particle size distribution (PSD) as well as the size-dependent 2D and 3D shape parameters of lunar regolith samples of different compositions and maturity levels. This analysis was done using a Microtrac SYNC which provides a unique combination of tri-laser diffraction and Dynamic Image Analysis (DIA). Sample Selection. Four regolith samples were selected for analysis based on maturity level and lunar terrain type: • 10084 – Mature high-Ti mare regolith • 15601 – Immature low-Ti mare regolith • 64501 – Mature highland regolith • 67461 – Immature highland regolith Sample Analysis. After receiving the samples, each sample was imaged with an optical microscope (Figure 1). To obtain 2D and 3D particle size and shape, 0.1 g of each sample was then added to the SYNC for analysis, which outputs more than 30 size and shape parameters for each individual grain as well as the complete size distribution from 0.01-2000 μm by blending laser diffraction and DIA together. For the 0.1 g sample masses requested, ~100,000 grains per sample were captured by DIA. Results: From the PSD analysis, it can be seen that the average particle size of 10084 is ~24.5 µm which is much smaller than the average particle size of the Apollo sample collection (~72 µm) [3], while the average particle size of samples 15601, 64501, and 67461 are larger than the Apollo sample average at ~106 µm, ~103 µm, and ~118.5 µm respectively. The size and shape measurements for the samples output ~30 parameters, four of which were focused on for this study: sphericity, aspect ratio, roundness, and concavity (Figure 3). However, after analyzing the plots it was found that only sphericity and aspect ratio showed differences between the samples. These two parameters are measured on a scale from 0 to 1, with 1 being a perfect sphere with equal dimensions. The results show that the sphericity values are slightly high-er for the mature samples 10084 and 64501 (~0.96) than they are for samples 15601 and 67461 (~0.95) (Figure 4). The aspect ratio values are slightly lower for samples 64501 (~0.7) and 67461 (~0.74) than they are for samples 10084 (~0.76) and 15601 (~0.8) (Figure 5). Discussion: Mature regoliths are those that have been exposed to micrometeorite and solar wind bombardment for long periods of time, breaking up particles and causing them to become more rounded [4]. Therefore, the smaller particle sizes and higher sphericity values for samples 10084 and 64501 are expected due to their higher maturity level compared to 15601 and 67461. However, the aspect ratio values are not dependent on maturity and are instead dependent on terrain type. The lower aspect ratio values for the high-land samples is potentially due to the higher plagioclase content, which occurs in elongated particles and does not break down as easily as the pyroxenes or olivines that are present in the mare. Conclusion and Future Work: The results of this work provide a baseline of high-quality data that will contribute to the creation of high-fidelity lunar simulants and will greatly benefit NASA’s efforts of establishing a human presence on the Moon. Future work includes performing unsupervised image classification on the ~105 particle images per sample in order to identify different classes of grains. These grain classes can then be linked to detailed shape properties, and the relative abundance of each class in the samples can be compared. Acknowledgments: We would like to thank the Extraterrestrial Materials Analysis Group (ExMAG) and the Astromaterials Allocation Review Board (AARB) for allocating lunar regolith samples 10084,9010, 15601,365, 64501,249, and 67461,171 for this work. References: [1] Taylor, L. A. et al. (2005) AIAA #2510. [2] Katagiri et al. (2015) ASCE. [3] Carrier III, W. D. (2005) Lunar Geotech Institute Tech Report. [4] McKay, D. S. et al. (1991) The Lunar Sourcebook, Chapter 7.

S R Deitrick↗

DOE OSTI2025

Residual stress distribution in an additively manufactured complex structure by neutron diffraction measurement

Residual stress in an aerodynamically shaped Ni-based superalloy airfoil fabricated by laser powder bed fusion was measured by neutron diffraction. The experiment was conducted by considering the complex shape, implementing computer aided experiment planning, and automatic alignment at each rapid measurement. The 3-dimensional (3D) residual stress distribution in the airfoil is presented in this work, which lacks symmetry due to the complex geometry of the airfoil. In conclusion, the results provide theoretical thermal processing models a complete residual stress dataset of simulation validation on 3D shape complex structure.

Residual stress↗

DOE OSTI2026

Architecting the Third Dimension of Electrochemical Energy Storage

Three-dimensional (3D) architectural design has emerged as a powerful strategy to push electrochemical energy storage (EES) devices beyond the intrinsic limitations of conventional two-dimensional (2D) electrodes. While planar architectures enable high packing density and mature manufacturing, they suffer from limited ion transport and low active-material loading. In contrast, 3D architectures introduce low-tortuosity networks and high surface area that enhance charge and mass transport while supporting thick, high mass-loading electrodes. However, their practicality remains hindered by challenges in volumetric density, mechanical stability, and large-scale manufacturability. Here, this Perspective examines the key evaluation and design principles that govern 3D device performance. We discuss the fundamental trade-offs between porosity, volumetric density, and mechanical stability that shape 3D design and highlight emerging strategies for integrating materials engineering, structural optimization, device integration, computational modeling, and scalable manufacturing. By aligning structural functionality with manufacturability, 3D architectures can evolve from laboratory prototypes to commercially viable energy storage systems.

25 ENERGY STORAGE↗

DOE OSTI2021

A New Route to Quantum-Scale Structures through a Novel Enhanced Germanium Diffusion Mechanism

This project sought to develop a fundamental understanding of the mechanisms underlying a newly observed enhanced germanium (Ge) diffusion process in silicon germanium (SiGe) semiconductor nanostructures during thermal oxidation. Using a combination of oxidationdiffusion experiments, high resolution imaging, and theoretical modeling, a model for the enhanced Ge diffusion mechanism was proposed. Additionally, a nanofabrication approach utilizing this enhanced Ge diffusion mechanism was shown to be applicable to arbitrary 3D shapes, leading to the fabrication of stacked silicon quantum dots embedded in SiGe nanopillars. A new wet etch-based method for preparing 3D nanostructures for highresolution imaging free of obscuring material or damage was also developed. These results enable a new method for the controlled and scalable fabrication of on-chip silicon nanostructures with sub-10 nm dimensions needed for next generation microelectronics, including low energy electronics, quantum computing, sensors, and integrated photonics.

36 MATERIALS SCIENCE↗

NASA NTRS2015

Complete Tem-Tomography: 3D Structure of Gems Cluster

GEMS (glass with embedded metal and sulfide) grains in interplanetary dust particles (IDPs) are considered to be one of the ubiquitous and fundamental building blocks of solids in the Solar System. They have been considered to be interstellar silicate dust that survived various metamorphism or alteration processes in the protoplanetary disk but the elemental and isotopic composition measurements suggest that most of them have been formed in the protoplanetary disk as condensates from high temperature gas. This formation model is also supported by the formation of GEMS-like grains with respect to the size, mineral assemblage, texture and infrared spectrum by condensation experiments from mean GEMS composition materials. Previous GEMS studies were performed only with 2D observation by transmission electron microscopy (TEM) or scanning TEM (STEM). However, the 3D shape and structure of GEMS grains and the spatial distribution of Fe/FeS's has critical information about their formation and origin. Recently, the 3D structure of GEMS grains in ultrathin sections of cluster IDPs was revealed by electron tomography using a TEM/STEM (JEM-2100F, JEOL). However, CT images of thin sections mounted on Cu grids acquired by conventional TEM-tomography are limited to low tilt angles (e. g., less than absolute value of 75 deg. In fact, previous 3D TEM observations of GEMS were affected by some artifacts related to the limited tilt range in the TEM used. Complete tomographic images should be acquired by rotating the sample tilt angle over a range of more than absolute value of 80 deg otherwise the CT images lose their correct structures. In order to constrain the origin and formation process of GEMS grains more clearly, we performed complete electron tomography for GEMS grains. Here we report the sample preparation method we have developed for this study, and the preliminary results.

Matsuno, J.↗

NASA NTRS2005

Electron Tomography of Nanoparticle Clusters: Implications for Atmospheric Lifetimes and Radiative Forcing of Soot

Nanoparticles are ubiquitous in nature. Their large surface areas and consequent chemical reactivity typically result in their aggregation into clusters. Their chemical and physical properties depend on cluster shapes, which are commonly complex and unknown. This is the first application of electron tomography with a transmission electron microscope to quantitatively determine the three-dimensional (3D) shapes, volumes, and surface areas of nanoparticle clusters. We use soot (black carbon, BC) nanoparticles as an example because it is a major contributor to environmental degradation and global climate change. To the extent that our samples are representative, we find that quantitative measurements of soot surface areas and volumes derived from electron tomograms differ from geometrically derived values by, respectively, almost one and two orders of magnitude. Global sensitivity studies suggest that the global burden and direct radiative forcing of fractal BC are only about 60% of the value if it is assumed that BC has a spherical shape.

vanPoppel, Laura H.↗

DOE OSTI2025

Visualizing and analyzing 3D biomolecular structures using Mol* at RCSB.org: Influenza A H5N1 virus proteome case study

The easiest and often most useful way to work with experimentally determined or computationally predicted structures of biomolecules is by viewing their three-dimensional (3D) shapes using a molecular visualization tool. Mol* was collaboratively developed by RCSB Protein Data Bank (RCSB PDB, RCSB.org) and Protein Data Bank in Europe (PDBe, PDBe.org) as an open-source, web-based, 3D visualization software suite for examination and analyses of biostructures. It is capable of displaying atomic coordinates and related experimental data of biomolecular structures together with a variety of annotations, facilitating basic and applied research, training, education, and information dissemination. Across RCSB.org, the RCSB PDB research-focused web portal, Mol* has been implemented to support single-mouse-click atomic-level visualization of biomolecules (e.g., proteins, nucleic acids, carbohydrates) with bound cofactors, small-molecule ligands, ions, water molecules, or other macromolecules. RCSB.org Mol* can seamlessly display 3D structures from various sources, allowing structure interrogation, superimposition, and comparison. Using influenza A H5N1 virus as a topical case study of an important pathogen, we exemplify how Mol* has been embedded within various RCSB.org tools—allowing users to view polymer sequence and structure-based annotations integrated from trusted bioinformatics data resources, assess patterns and trends in groups of structures, and view structures of any size and compositional complexity. In addition to being linked to every experimentally determined biostructure and Computed Structure Model made available at RCSB.org, Standalone Mol* is freely available for visualizing any atomic-level or multi-scale biostructure at rcsb.org/3d-view.

3D biostructure↗

DOE OSTI2025

Volumetric Shaping of Nanoparticle-DNA Crystals by Light-Induced Milling

DNA-programmable self-assembly enables the formation of nanoparticle crystals with controlled lattice symmetry. While this approach offers the formation of complexly ordered nanostructures for optical, mechanical, and biological applications, a mesoscale control over such nanomaterials is limited. Directing the material formation process through the assembly pathway or external fields allows for modulating crystal morphology, but achieving arbitrary morphology remains challenging. Here, we present a photothermal method for shaping 3D DNA-programmable crystals of gold nanoparticles. Through local heating of nanoparticles due to plasmonic light absorption, we induce targeted volumetric dissolution of specifically defined crystal areas with micron-scale accuracy. This technique effectively prescribes crystal shaping and creates arbitrarily shaped voids within crystals. We further investigate both computationally and experimentally the key factors governing volumetric material subtraction. The developed automated light-milling platform enables the fabrication of nanomaterials exhibiting both DNA-programmable nanoscale order and custom-designed mesoscale architecture.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Anisotropy in an ambiguous kinetic depth effect

A set of animated stimuli (Lissajous figures), each element of which is physically consistent with two different 3D shapes undergoing rigid rotations about orthogonal axes is presented. Predictions of which shape will be seen are made by utilizing an adaptation of Hildreth's smoothest-velocity-field computation. Results indicate that the ambiquity in 2D visual motion, i.e., the aperture problem, is not resolved before the interpretation of the 3D structure.

Mulligan, Jeffrey B.↗

NASA NTRS2015

Adaptive Shape Control for Aerodynamic Design

We present an approach to aerodynamic optimization in which the shape control is adaptively parameterized. Starting from a coarse set of design variables, a sequence of higher-dimensional nested search spaces is automatically generated. Refinement can be either uniform or adaptive, in which case only the most important shape control is added. The relative importance of candidate design variables is determined by comparing objective and constraint gradients, computed at low cost via adjoint solutions. A search procedure for finding an effective ensemble of shape parameters is also given. We first demonstrate this system on a multipoint drag miminization problem in 2D with many constraints, showing that an adaptive parameterization approach consistently achieves smoother, more robust, and faster design improvement than fixed parameterizations. We also establish a 3D shape- matching benchmark, where we demonstrate that our approach automatically discovers the necessary parameters to match a target shape. By largely automating shape parameterization, this work also aims to remove a time-consuming aspect of shape optimization.

Aerodynamic Design↗