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At least 235 records · Page 13

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DOE OSTI2021

3D Seismic Anatomy of a Watershed Reveals Climate–Topography Coupling That Drives Water Flowpaths and Bedrock Weathering

To investigate how bedrock transforms to soil, we mapped the topography of the interface demarcating onset of weathering under an east-west trending shale watershed in the Valley and Ridge province in the U.S.A. Using wave-equation travel-time tomography from a seismic array of >4000 geophones, we obtained a 3D P-wave velocity (Vp) model that resolves structures ~20 m below land surface (mbls). The depth of mobile soil and the onset of dissolution of chlorite roughly match Vp = 600 m/s and Vp = 2700 m/s, respectively. Chlorite dissolution initiates porosity growth in the shale matrix. Depth to the 2700 m/s contour is greater under the N- as compared to S-facing hillslopes and under sub-planar as compared to concave-up land surfaces. Broadly, the geometries of the ‘soil’ and ‘chlorite’ Vp contours are consistent with the calculated potential for shear fracture opening under weak regional compression. However, this calculated fracture potential does not consistently explain observations related to N- vs. S-facing aspect nor fracture density observed by borehole televiewer. Apparently, regional compression is only a secondary influence on Vp: the primary driver of P-wave slowing in the upper layers of this catchment is topographic control of reactive water flowpaths and their integrated effects on weathering. Here, the Vp result is best explained as the long-term integrated effect of groundwater flow-induced geochemical weathering of shale in response to climate-driven patterns of micro- and macro-topography.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Recent progress on coarse graining simulations

We focus on coarse graining simulations based on the primary conservation equations, effectively codesigned physics and algorithms, and low-Mach-number corrected (LMC) hydrodynamics. Simulation methods involve LANL’s x-Radiation-Adaptive-Grid-Eulerian Large-Eddy Simulation, Besnard-Harlow-Rauenzahn (BHR) Reynolds-Averaged Navier-Stokes (RANS) approach, and Dynamic BHR – a paradigm bridging RANS and LES. A relevant question addressed relates to whether 3D RANS and RANS/LES hybrids – the industry standards for aerospace and automotive research, are presently relevant for practical variable-density applications involving shocked and accelerated interface instabilities. Furthermore, recent simulations of the GaTECH inclined mixing-layer shock-tube and NIF ICF-capsule experiments are used to demonstrate issues, challenges, and potential for 3D coarse grained LMC simulation strategies for robustly simulating complex transitional and coupled hydrodynamics-multiphysics with coarser resolution. Present LES readiness to provide accurate predictions at scale is demonstrated – whereas 3D RANS and RANS/LES bridging do not appear impactful in this context.

42 ENGINEERING↗

DOE OSTI2022

Increasing the Pressure‐Free Stripping Capacity of the Lithium Metal Anode in Solid‐State‐Batteries by Carbon Nanotubes

Abstract Lithium metal is the key anode material for solid‐state‐batteries as its successful implementation will drastically increase their energy and power densities. However, anode contact loss during stripping leads to dendrites upon plating and subsequent cell failure. Design strategies to mitigate these issues are crucial to enable the use of lithium metal anodes. This paper reports the dissolution kinetics of composite anodes made of lithium metal and carbon nanotubes (CNTs) with a garnet‐type solid electrolyte (SE). In addition to an enhancement of the effective diffusion within the anode, its dissolution is fundamentally changed from being 2D to 3D. By maintaining contact with the SE, the CNTs facilitate lithium transport to the interface, which yields more than 20 mAh cm −2 discharge capacity at 100 µ A cm −2 without the application of external stack pressure ( > 1 MPa). Conclusions drawn from electrochemical data on the anode microstructure are validated using cryo‐focused‐ion‐beam scanning electron microscopy and correlated with the mechanical properties. Micro‐indentation, acoustic analysis, and stress–strain testing show that mechanical properties of the anode, like yield strength and hardness, are adjustable. Overall, it is shown that the mechanical and electrochemical properties of Li–CNT composite electrodes can be tailored to suit the requirements of a practical cell.

Fuchs, Till↗

DOE OSTI2022

3D LiMn 2 O 4 nThin Film Deposited by ALD: A Road toward High-Capacity Electrode for 3D Li-Ion Microbatteries

Miniaturized electronics suffer from a lack of energy autonomy. In that context, the fabrication of lithium-ion solid-state microbatteries with high performance is mandatory for powering the next generation of portable electronic devices. Here, the fabrication of a thin film positive electrode for 3D Li-ion microbatteries made by the atomic layer deposition (ALD) method and in situ lithiation step is demonstrated. The 3D electrodes based on spinel LiMn 2 O 4 films operate at high working potential (4.1 V vs Li/Li + ) and are capable of delivering a remarkable surface capacity (approximate to 180 mu Ah cm -2 ) at low C-rate while maintaining more than 40 mu Ah cm -2 at C/2 (time constant = 2 h). Both the thickness of the electrode material and the 3D gain of the template are carefully tuned to maximize the electrode performance. Further, advanced characterization techniques such as transmission electron and X-ray transmission microscopies are proposed as perfect tools to study the conformality of the deposited films and the interfaces between each layer: no interdiffusion or segregation are observed. This work represents a major issue towards the fabrication of 3D-lithiated electrode by ALD-without any prelithiation step by electrochemical technique-making it an attractive solution for the fabrication of 3D Li-ion solid-state microbatteries with semiconductor processing methods.

3D Li-ion micro-batteries↗

DOE OSTI2021

Variational, stable, and self-consistent coupling of 3D electromagnetics to 1D transmission lines in the time domain

This work presents a new multiscale method for coupling the 3D Maxwell's equations to the 1D telegrapher's equations. While Maxwell's equations are appropriate for modeling complex electromagnetics in arbitrary-geometry domains, simulation cost for many applications (e.g. pulsed power) can be dramatically reduced by representing less complex transmission line regions of the domain with a 1D model. By assuming a transverse electromagnetic (TEM) ansatz for the solution in a transmission line region, we reduce the Maxwell's equations to the telegrapher's equations. Here, we propose a self-consistent finite element formulation of the fully coupled system that uses boundary integrals to couple between the 3D and 1D domains and supports arbitrary unstructured 3D meshes. Additionally, by using a Lagrange multiplier to enforce continuity at the coupling interface, we allow for an absorbing boundary condition to also be applied to non-TEM modes on this boundary. We demonstrate that this feature reduces non-physical reflection and ringing of non-TEM modes off of the coupling boundary. By employing implicit time integration, we ensure a stable coupling, and we introduce an efficient method for solving the resulting linear systems. We demonstrate the accuracy of the new method on two verification problems, a transient O-wave in a rectilinear prism and a steady-state problem in a coaxial geometry, and show the efficiency and weak scalability of our implementation on a cold test of the Z-machine MITL and post-hole convolute.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

On the 3D printing of polyelectrolyte complexes: A novel approach to overcome rheology constraints

Strong polyelectrolytes, poly(styrene sulfonate) (PSS), and poly(diallyldimethylammonium) (PDADMAC) dissolved in aqueous KBr can be 3D printed for the first time in the air via direct ink writing (DIW). Viscous polyelectrolyte complex (PEC) solutions were deposited layer-by-layer and quenched with deionized water to produce mechanically viable, viscoelastic hydrogel objects. Optimal inks were confirmed by rheology and thermogravimetric measurements to map flow behavior with material composition. Finally, post-print handling and storage protocols were developed to produce printed resolutions more consistent with conventional DIW.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

Grid generation for 3D turbomachinery configurations

A numerical grid generation algorithm associated with the flow field about turbomachinery geometries is presented. Graphical user interface is developed with the FORMS Library to create an interactive, user-friendly working environment. This customized algorithm reduces the man-hours required to generate a grid associated with turbomachinery geometry, as compared to those required by general-purpose grid generation softwares. Bezier curves are utilized both interactively and automatically to accomplish grid line smoothness and orthogonality. Graphical user interactions are provided in the algorithm and allow the user to design and manipulate the grid lines with a mouse.

Shih, Ming-Hsin↗

NASA NTRS2005

Generating Animated Displays of Spacecraft Orbits

Tool for Interactive Plotting, Sonification, and 3D Orbit Display (TIPSOD) is a computer program for generating interactive, animated, four-dimensional (space and time) displays of spacecraft orbits. TIPSOD utilizes the programming interface of the Satellite Situation Center Web (SSCWeb) services to communicate with the SSC logic and database by use of the open protocols of the Internet. TIPSOD is implemented in Java 3D and effects an extension of the preexisting SSCWeb two-dimensional static graphical displays of orbits. Orbits can be displayed in any or all of the following seven reference systems: true-of-date (an inertial system), J2000 (another inertial system), geographic, geomagnetic, geocentric solar ecliptic, geocentric solar magnetospheric, and solar magnetic. In addition to orbits, TIPSOD computes and displays Sibeck's magnetopause and Fairfield's bow-shock surfaces. TIPSOD can be used by the scientific community as a means of projection or interpretation. It also has potential as an educational tool.

Candey, Robert M.↗

DOE OSTI2021

A measure of active interfaces in supported catalysts for high-temperature reactions

Formulating knowledge of structure-function relationships in heterogeneous catalysis is central to the design of efficient catalysts; yet, the elucidation of dominant reaction sites has remained as a challenge. Here, in this paper, we present a methodology that can be used to visualize metal-gas and metal-oxide-gas interfaces in three dimensions and to quantify their catalytic activity levels. As a case study, CH 4 oxidation occurring in a Pt/CeO 2 system is chosen. By employing thermally robust Pt@CeO 2 model catalysts with size-tunable and monodisperse cores, and gas-permeable shells, we reconstruct a series of structures in 3D via electron tomography and match the information to activity data and theoretical calculations. This strategy reveals that two different interfaces catalyze the CH 4 oxidation and that their contribution to the overall rate changes with the Pt size, temperature, and gas atmosphere. Our results provide an analytic platform on which to explore reaction pathways and mechanisms applicable to multiple reactions and materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

STARscan: Spatial Targeting and Alignment Rig for Scanning

The Spatial Targeting and Alignment Rig for Scanning (STARScan) is a 3D photogrammetry system developed at NASA Ames Research Center to address bottlenecks in pre/post-test scanning of arcjet test articles. It reduces scan time from 15 minutes with handheld laser scanners to under 2 minutes, while maintaining high accuracy (±0.2-0.5 mm). STARScan integrates an array of cameras, a 3D-printed rack, turntable, and LED light panels, all controlled via a user-friendly graphical user interface (GUI). The system offers tools for scan visualization, mesh analysis, and data export, automating tasks such as alignment of pre/post-test scans, material recession measurements, surface roughness assessment, and curvature analysis. By integrating scanning, imaging, and post-processing into one application, STARScan significantly improves efficiency in scanning and analyzing arcjet test samples.

Ablation↗

DOE OSTI2025

Hybrid epoxy–acrylate resins for wavelength-selective multimaterial 3D printing

Structures in nature have evolved to combine hard and soft materials in precise 3D arrangements, which imbues bulk properties and functionality that remain elusive to mimic synthetically. However, the potential for biomimetic analogs to seamlessly interface hard materials with soft surfaces for applications ranging from robotics and sealants to medical devices (e.g., prosthetics and wearable health monitors) has driven the demand for innovative chemistries and manufacturing approaches. Herein, we unveil a liquid resin for rapid, high resolution digital light processing (DLP) 3D printing of multimaterial objects with an unprecedented combination of strength, elasticity, and resistance to aging. Two enabling discoveries are the use of a covalently bound (hybrid) epoxy-acrylate monomer that precludes plasticization of soft domains and a wavelength-selective photosensitizer that accelerates cationic curing for hard domains. Using dual projection for multicolor DLP 3D printing (UV and violet light), several bioinspired metamaterial structures are fabricated, including one with hard springs embedded in a soft cylinder to adjust compressive behavior and a detailed knee joint featuring “bones” and “ligaments” for smooth motion. Lastly, the application of this system to facilitate selective stretching for electronic devices is demonstrated with a proof-of-concept device.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Atomic Gradient Structure Alters Electronic Structure in 3D across the Bulk and Enhances Photoactivity

Abstract Understanding structure–function relationships enables the design of materials with tailored functionalities. The long‐standing challenge is to design materials with high active volume to improve efficiency. Tailored grain boundaries and lattice defects are traditionally used to tune the electronic structure near interfaces or defects to promote electron and hole separation. However, the active volume of point defect sites or interfaces in these traditional photocatalysts is extremely low. This study reports a structure with continuous atomic positional deformation across the bulk, altering the electronic structure in 3D and creating a significantly higher active volume. Such a structure in anatase is obtained and tuned by phase transformation during the heating process. Transmission electron microscopy and density functional theory results reveal that atomic deformations result in continuous band bending across the particles, facilitating electron–hole separation, inhibiting their recombination, and inducing dramatically enhanced photoactivity. These findings enable a different materials design paradigm that can potentially be harnessed for a broad range of applications.

Ren, Peng↗

DOE OSTI2024

Mid-IR UAV-based sensing platform with deep learning to Identify and Quantify Gaseous Emission in Gas Flares

This report details the development and evaluation of a Mid-Infrared (Mid-IR) Unmanned Aerial Vehicle (UAV)-based sensing platform integrated with deep learning algorithms for the identification and quantification of gaseous emissions in gas flares. The project, spearheaded by Omega Optics, Inc., aimed to address environmental monitoring challenges by leveraging advanced photonic technologies and autonomous UAV operations. The research focused on designing, optimizing, and fabricating photonic crystal waveguides and grating couplers to enhance the sensitivity and accuracy of gas detection. A comprehensive drone-based system was developed, featuring a miniaturized sensor, GPS module, and microcontroller communication network for real-time gas concentration monitoring. The system's adaptive sampling algorithm, implemented using the Robot Operating System (ROS), enables autonomous detection and localization of gas emission sources. Preliminary results demonstrate the platform's capability to detect and monitor gas emissions with high precision, cost-effectiveness, and scalability. Future work will expand upon this foundation by introducing 3D wind model-based learning for dynamic environmental conditions and further enhancing the user interface and data processing algorithms to support broader environmental monitoring applications. Overall, this project represents a significant step forward in UAV-based environmental sensing technologies, offering robust solutions for detecting and mitigating the impacts of gaseous emissions on public health and safety.

47 OTHER INSTRUMENTATION↗

NASA NTRS2017

Design, Manufacture and Test of Cryotank Components

On the composite cryotank technology development (CCTD) project, the Boeing Company built two cryotanks as a means of advancing technology and manufacturing readiness levels (TRL and MRL) and lowering the risk of fabricating full-scale fuel containment vessels.1 CCTD focused on upper stage extended duration applications where long term storage of propellants is required. The project involved the design, analysis, fabrication, and test of manufacturing demonstration units (MDU), a 2.4 m (precursor) and a 5.5 m composite cryotank. Key design features included one-piece wall construction to minimize overall weight (eliminating the need for a bellyband joint), 3-dimensionally (3D) reinforced y-joint material to alleviate stress concentrations at the tank to skirt interface and a purge-able ﬂuted core skirt to carry high axial launch loads. The tanks were made with OoA curing pre-impregnated (prepreg) carbon/epoxy (C/E) slit-tape tow (STT) that contained thin micro-crack resistant plies in the tank wall center to impede permeation. The tanks were fabricated at Boeing's Seattle-based Advanced Development Center (ADC) using RAFP and multipiece break-down tooling. The tooling was designed and built by Janicki Industries (JI) at Sedro Woolley, Washington. Tank assemblage consisted of co-bonded dome covers, one-piece ﬂuted core skirts and mechanical fastened cover/sump. Ultrasonic inspection was performed after every cure or bond and a structural health monitoring system (SHMS) was installed to identify potential impact damage events (in-process and/or during transportation). The tanks were low temperature tested at NASA's George C. Marshall Space Flight Center (MSFC) in Huntsville, Alabama. The testing, which consisted of a sequence of ﬁll/drain pressure and thermal cycles using LH2, was successfully concluded in 2012 on the 2.4 m tank and in 2014 on the 5.5 m tank. Structural, thermal, and permeation performance data was obtained. 2 Critical design features and manufacturing advancements, which helped to validate 25% weight and 30% cost reduction projections, were matured. These advancements will help to guide future composite tank integration activities on next generation long duration aircraft and space launch vehicles. Because CCTD addressed innovative design features, heavy lift size scale-up, multipiece captured tooling, new generation automated material placement (AMP) equipment and OoA materials, this chapter should be of interest to educators, students and manufacturers of composite hardware and ﬂight vehicles.

McCarville, Douglas A.↗

NASA NTRS2018

Relevence of 3D Simulations and Sandwich Core Topology for the Modeling of Honeycomb Core Sandwich Panels Undergoing Mode I Delamination

A recently developed cohesive zone traction-separation law, which includes the effects of fiber bridging in a novel way, is extended from 2D to 3D. The proposed cohesive model is applied to low fidelity (i.e. homogenized core representation) and high fidelity (i.e. directly accounting for the core topology) finite element models of a composite panel comprised of carbon fiber reinforced plastic facesheets and a honeycomb sandwich core. This enables the investigation of 2D to 3D parameter transferability, width-dependent effects such as thumbnail-shaped crack growth, and the verification of plane strain / plane stress assumptions. A pronounced curvature of the initial interface-related crack front is observed, while the bridging-related crack front is straight. Furthermore, it is found that the cohesive parameters can easily be transferred from 2D to 3D under plane stress assumptions, but not under plane strain assumptions. The numerical predictions are compared to experimental load-displacement and R-curves.

Composites↗

DOE OSTI2022

EEL: A MOOSE-based Application for 3D Electro-Chemo-Thermo-Mechanical Modeling of Solid-State Batteries

This report describes a tool for three dimensional, high fidelity, coupled electro-chemo-thermo-mechanical modeling of solid-state batteries. A complete version of the tool is available as open source software at https://github.com/hugary1995/eel.git. The theoretical framework of the tool revolves around an inf-sup statement on a total potential, comprising the Helmholtz free energy, the electrical kinetic potential, the chemical potential, the Fourier potential, the chemical reaction potential, and the external power expenditure. The tool uses the finite element framework of Multiphysics Object-Oriented Simulation Environment (MOOSE) and a variational formulation to solve the boundary value problem for solid-state battery incorporating the full set of multiphysics couplings. The variational formulation also enables a modular software architecture for the tool so additional physics can be easily included by specifying the new contribution to the total potential. The report discusses several method of manufactured solutions that were used to verify the implementation of different physics and the Butler-Volmer reaction kinetics at the electrolyte-electrode interface. Finally, the report discusses results from complete charge/discharge simulations of a quasi-1D and a 3D solid-state battery.

25 ENERGY STORAGE↗

DOE OSTI2022

Interfacial Assembly and Jamming of Soft Nanoparticle Surfactants into Colloidosomes and Structured Liquids

Nanoparticle surfactant (NPS) offers a powerful strategy to generate all-liquid constructs that integrate the inherent properties of the NPs into 3D architectures. In this report using the co-assembly of fluorescent polymeric nanoparticles and amine-functionalized polyhedral oligomeric silsesquioxane, the assembly and jamming behavior of a new type of NPS at the oil-water interface is uncovered. Unlike "solid" inorganic nanoparticles, "soft" polymeric nanoparticles can reorganize when jammed, leading to a relaxation and deformation of the interfacial assemblies, for example, the 3D printed sugar-coated haw stick-like liquid tubules. With NPS serving as emulsifiers, stable Pickering emulsions are prepared that can be converted into robust colloidosomes with pH responsiveness, showing numerous potential applications for encapsulation and controlled release.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

Evolution of Dendritic Extended 3D Patterns during Directional Solidification: Microgravity Experiments in DECLIC-DSI onboard ISS and Phase-field Modeling

To characterize the dynamical formation of three-dimensional (3D) arrays of dendrites under diffusive growth conditions, in situ monitoring of a series of experiments on a transparent succinonitrile – 0.46 wt% camphor model alloy was carried out under low gravity in the DECLIC Directional Solidification Insert onboard the International Space Station. These experiments offer continuous interface observation and enable the construction of space-time evolution maps of dendrite location and primary spacing during directional solidification. We present the evolution of dendritic extended 3D patterns for a large range of parameters displaying different levels of side branching in both experiments and phase-field simulations. The combined and separate effects of macroscopic interface curvature and crystal mis-orientation are evidenced and detailed. In addition, the aligned dendritic array caused by the invasion of dendrites formed at the edge of the crucible border is investigated.

Kaihua Ji↗