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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Theoretical design and performance of three-dimensional, pillared FeS 2 cathodes

Three-dimensional (3D) electrode design can provide improved capacities and rate capabilities over conventional two-dimensional electrodes by enhancing electrical and ionic transport. Here, expanding upon our previous modeling efforts for conversion chemistry lithium-ion batteries, we develop a pseudo-four-dimensional (P4D) approach that is subsequently used to investigate the design of a pillared FeS 2 electrode. The model considers transport in three dimensions with an additional “fourth” dimension corresponding to the solid-state lithium transport within the active material particles. Additionally, we allow for expansion of the active material during the conversion reaction to understand how internal stresses impact the electrochemical performance of the cell. By optimizing the model with respect to areal capacity, we are able to predict areal capacities up to 16.8 mAh/cm 2 for an areal current density of 1.78 mA/cm 2 and a 103% improvement for the three-dimensional electrodes over planar electrodes of equal volume. Despite the promising results, our simulations suggest that 3D design may be difficult for conversion cathode materials due to the large internal stresses that arise during conversion. Nevertheless, the model is robust and adaptable to other materials that may be more suitable for 3D electrodes due to a lesser change in volume during discharge.

Conversion cathode materials↗
DOE OSTI2017

An Organic Semiconductor Organized into 3D DNA Arrays by “Bottom‐up” Rational Design

Abstract A 3D array of organic semiconductors was assembled using a DNA scaffold. An octameric aniline molecule (“octaniline”) was incorporated into a DNA building block based on a dimeric tensegrity triangle. The construct self‐assembled to form a 3D crystal. Reversible redox conversion between the pernigraniline and leucoemeraldine states of the octaniline is retained in the crystal. Protonic doping gave emeraldine salt at pH 5, corresponding to the conductive form of polyaniline. Redox cycling within the crystal was visualized by color changes and Raman microscopy. The ease of conversion between the octaniline states suggests that it is a viable electronic switch within a unique 3D structure.

Wang, Xiao↗
DOE OSTI2016

SU-D-BRC-07: System Design for a 3D Volumetric Scintillation Detector Using SCMOS Cameras

Purpose: The purpose of this project is to build a volumetric scintillation detector for quantitative imaging of 3D dose distributions of proton beams accurately in near real-time. Methods: The liquid scintillator (LS) detector consists of a transparent acrylic tank (20×20×20 cm{sup 3}) filled with a liquid scintillator that when irradiated with protons generates scintillation light. To track rapid spatial and dose variations in spot scanning proton beams we used three scientific-complementary metal-oxide semiconductor (sCMOS) imagers (2560×2160 pixels). The cameras collect optical signal from three orthogonal projections. To reduce system footprint two mirrors oriented at 45° to the tank surfaces redirect scintillation light to cameras for capturing top and right views. Selection of fixed focal length objective lenses for these cameras was based on their ability to provide large depth of field (DoF) and required field of view (FoV). Multiple cross-hairs imprinted on the tank surfaces allow for image corrections arising from camera perspective and refraction. Results: We determined that by setting sCMOS to 16-bit dynamic range, truncating its FoV (1100×1100 pixels) to image the entire volume of the LS detector, and using 5.6 msec integration time imaging rate can be ramped up to 88 frames per second (fps). 20 mm focal length lens provides a 20 cm imaging DoF and 0.24 mm/pixel resolution. Master-slave camera configuration enable the slaves to initiate image acquisition instantly (within 2 µsec) after receiving a trigger signal. A computer with 128 GB RAM was used for spooling images from the cameras and can sustain a maximum recording time of 2 min per camera at 75 fps. Conclusion: The three sCMOS cameras are capable of high speed imaging. They can therefore be used for quick, high-resolution, and precise mapping of dose distributions from scanned spot proton beams in three dimensions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Integrated Multiscale Modeling for Design of Robust 3D Solid-State Lithium Batteries - FY21 Annual Report

This project is developing a multiscale, multi-physics modeling framework for probing the effects of materials microstructure and device architecture on ion transport within 3D ceramic solid-state battery materials, with the goal of enhancing performance and reliability. The project has three primary objectives: (1) integrate multi physics and multiscale model components; (2) understand interface- and microstructure-derived limitations on ion transport; and (3) derive key structure-performance relations for enabling future optimization.

25 ENERGY STORAGE↗
NASA NTRS2017

Programmable Spectral Source and Design Tool for 3D Imaging Using Complementary Bandpass Filters

An endoscopic illumination system for illuminating a subject for stereoscopic image capture, includes a light source which outputs light; a first complementary multiband bandpass filter (CMBF) and a second CMBF, the first and second CMBFs being situated in first and second light paths, respectively, where the first CMBF and the second CMBF filter the light incident thereupon to output filtered light; and a camera which captures video images of the subject and generates corresponding video information, the camera receiving light reflected from the subject and passing through a pupil CMBF pair and a detection lens. The pupil CMBF includes a first pupil CMBF and a second pupil CMBF, the first pupil CMBF being identical to the first CMBF and the second pupil CMBF being identical to the second CMBF, and the detection lens includes one unpartitioned section that covers both the first pupil CMBF and the second pupil CMBF.

Shahinian, Hrayr Karnig↗
NASA NTRS2020

Evaluation of Packing_3D Code for Design of Variable-Depth, Bent-Chamber Acoustic Liners

Increases in the bypass ratio for commercial aircraft engines have caused the broadband fan noise component to become dominant. As a result, there is a need to develop improved acoustic liners suitable for absorption of this fan noise over a wide frequency range, preferably up to at least two octaves. Variable depth liners with bent chambers and three-dimensional geometries present one way to achieve this goal, however, they can be difficult and time-consuming to design due to their complexity and volume constraints. A packing code, called Packing3D, has been developed that automatically designs the chamber configurations of such liners once the chamber dimensions and volume constraints are known. The code uses a randomized trial and error approach to place each chamber in a representation of the liner sample, then returns a colored diagram and sufficient information for the liner sample to be fabricated. For evaluation, the code is used to design four liner samples of varying levels of complexity. These samples are tested with and without a mesh facesheet in the NASA Langley Normal Incidence Tube, and the results are compared to predictions computed in COMSOL. The results indicate that the packing code is able to quickly design samples that are predictable, achieve the desired absorption spectrum, fit the given constraints, and are able to be built. This code is flexible, lends itself to optimization, and allows samples to be designed quickly, accurately, and efficiently.

Marinova, Miroslava M.↗
NASA NTRS2023

A 3D Printable Alloy Designed for Extreme Environments

Multiprincipal-element alloys are an enabling class of materials owing to their impressive mechanical and oxidation-resistant properties, especially in extreme environments. Here we develop a new oxide-dispersion-strengthened NiCoCr-based alloy using a model-driven alloy design approach and laser-based additive manufacturing. This oxide-dispersion-strengthened alloy, called GRX-810, uses laser powder bed fusion to disperse nanoscale Y 2 O 3 particles throughout the microstructure without the use of resource-intensive processing steps such as mechanical or in situ alloying. We show the successful incorporation and dispersion of nanoscale oxides throughout the GRX-810 build volume via high-resolution characterization of its microstructure. The mechanical results of GRX-810 show a twofold improvement in strength, over 1,000-fold better creep performance and twofold improvement in oxidation resistance compared with the traditional polycrystalline wrought Ni-based alloys used extensively in additive manufacturing at 1,093 °C. The success of this alloy highlights how model-driven alloy designs can provide superior compositions using far fewer resources compared with the ‘trial-and-error’ methods of the past. These results showcase how future alloy development that leverages dispersion strengthening combined with additive manufacturing processing can accelerate the discovery of revolutionary materials.

Timothy M. Smith↗
DOE OSTI2011

Korean standard nuclear plant ex-vessel neutron dosimetry program Ulchin 4

A comprehensive ex-vessel neutron dosimetry (EVND) surveillance program has been deployed in 16 pressurized water reactors (PWR) in South Korea and EVND dosimetry sets have already been installed and analyzed in Westinghouse reactor designs. In this paper, the unique features of the design, training, and installation in the Korean standard nuclear plant (KSNP) Ulchin Unit 4 are presented. Ulchin Unit 4 Cycle 9 represents the first dosimetry analyzed from the EVND design deployed in KSNP plants: Yonggwang Units 3 through 6 and Ulchin Units 3 through 6. KSNP's cavity configuration precludes a conventional installation from the cavity floor. The solution, requiring the installation crew to access the cavity at an elevation of the active core, places a premium on rapid installation due to high area dose rates. Numerous geometrical features warranted the use of a detailed design in true 3D mechanical design software to control interferences. A full-size training mockup maximized the crew ability to correctly install the instrument in minimum time. The analysis of the first dosimetry set shows good agreements between measurement and calculation within the associated uncertainties. A complete EVND system has been successfully designed, installed, and analyzed for a KNSP plant. Current and future EVND analyses will continue supporting the successful operation of PWR units in South Korea. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Advanced battery modeling for interfacial phenomena and optimal charging

Lithium ion batteries are one of the most promising energy storage systems for portable devices, transportation, and renewable grids. To meet the increasing requirements of these applications, higher energy density and areal capacity, long cycle life, fast charging rate and enhanced safety for lithium ion battery (LIBs) are urgently needed. To solve these challenges, the relevant physics at different length scale need to be understood. However, experimental study is time consuming and limited in small scale’s study. Modeling techniques provide us powerful tools to get a deep understanding of the relevant physics and find optimal solutions. This work focuses on studying the mechanism in advanced battery engineering techniques and developing a new charging algorithm by model-based optimization. The research topics are divided into six topics and each topic is reported as a form of journal publication. Paper Ⅰ provides a new aspect of how ALD coating improves the lithium ion diffusion at electrode particles. Paper Ⅱ explains the mechanisms by which 3D electrodes enhance battery performance and reveals guidelines for optimized 3D electrode designs by a 3D electrochemical-mechanical battery model. Paper Ⅲ investigates the electrolyte concentration impact on SEI layer growth and Li plating, especially under high charge rates. Paper Ⅳ proposes an optimized charging protocol for fast charging for reducing the charging time with minimal degradation. Paper Ⅴ reports a comprehensive degradation model for degradation estimation and life predication of energy storage system (ESS). Paper Ⅵ is a study of temperature-dependent state of charge (SOC) estimation for battery pack.

25 ENERGY STORAGE↗
DOE OSTI2017

An Organic Semiconductor Organized into 3D DNA Arrays by “Bottom-up” Rational Design

Here, a 3D array of organic semiconductors was assembled using a DNA scaffold. An octameric aniline molecule (“octaniline”) was incorporated into a DNA building block based on a dimeric tensegrity triangle. The construct self-assembled to form a 3D crystal. Reversible redox conversion between the pernigraniline and leucoemeraldine states of the octaniline is retained in the crystal. Protonic doping gave emeraldine salt at pH 5, corresponding to the conductive form of polyaniline. Redox cycling within the crystal was visualized by color changes and Raman microscopy. The ease of conversion between the octaniline states suggests that it is a viable electronic switch within a unique 3D structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

eSHAFTS: Integrated and graphical drug design software based on 3D molecular similarity

With the development of computer technology, computer‐aided drug design (CADD) has become an important means for drug research and development, and its representative method is virtual screening. Various virtual screening platforms have emerged in an endless stream and play great roles in the field of drug discovery. With the increasing number of compound molecules, virtual screening platforms face two challenges: low fluency and low visibility of software operations. In this article, we present an integrated and graphical drug design software eSHAFTS based on three‐dimensional (3D) molecular similarity to overcome these shortcomings. Compared with other software, eSHAFTS has four main advantages, which are integrated molecular editing and drawing, interactive loading and analysis of proteins, multithread and multimode 3D molecular similarity calculation, and multidimensional information visualization. Experiments have verified its convenience, usability, and reliability. By using eSHAFTS, various tasks can be submitted and visualized in one desktop software without locally installing any dependent plug‐ins or software. The software installation package can be downloaded for free at http://lilab.ecust.edu.cn/home/resource.html . © 2019 Wiley Periodicals, Inc.

He, Gaoqi↗
DOE OSTI2025

Target fabrication fields first NIF shot with new 3D-printed microfluidic target design

Capable of producing ultrafine features, two-photon polymerization (2PP) 3D printing made it possible to field a first-of-its-kind leak-proof liquid-filled diffraction target. These targets are used for shots aimed at using laser pressure instead of low temperatures turn water into ice. The shot is the product of months of design, assembly, and installation work by LSEO’s target fabrication team, in collaboration with 3D printing experts Widi Moestopo (MED) and Xiaoxing Xia (MED) and PLS researcher Neal Bhandarkar.

42 ENGINEERING↗