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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Shadow of Schwarzschild–Tangherlini black holes

We study the shadow cast by the higher-dimensional Schwarzschild–Tangherlini black hole, and analytically calculate the influence of extra dimensions on the shadow of a black hole. A black hole casts a shadow as an optical appearance because of its strong gravitational field which is known to be a dark zone covered by a circle for a Schwarzschild black hole. We demonstrate that the null geodesic equation can be integrated by Hamilton–Jacobi approach, which enable us to investigate the shadow cast by the higher-dimensional Schwarzschild–Tangherlini black holes. Interestingly, it turns out that, for fixed values of the mass parameter, the shadow in higher-dimensional spacetimes are smaller when compared with four-dimensional Schwarzschild black hole. Further, the shadows of higher-dimensional Schwarzschild–Tangherlini black holes are concentric circles with radius of the circle decreases with increase in D. We visualize the photon regions and the shadows in various dimensions for different values of the parameters, and the energy emission rates are is also investigated. Our results, in the limit D=4, reduced exactly to vis-à-vis Schwarzschild black hole case.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Computational Methods for HSCT-Inlet Controls/CFD Interdisciplinary Research

A program aimed at facilitating the use of computational fluid dynamics (CFD) simulations by the controls discipline is presented. The objective is to reduce the development time and cost for propulsion system controls by using CFD simulations to obtain high-fidelity system models for control design and as numerical test beds for control system testing and validation. An interdisciplinary team has been formed to develop analytical and computational tools in three discipline areas: controls, CFD, and computational technology. The controls effort has focused on specifying requirements for an interface between the controls specialist and CFD simulations and a new method for extracting linear, reduced-order control models from CFD simulations. Existing CFD codes are being modified to permit time accurate execution and provide realistic boundary conditions for controls studies. Parallel processing and distributed computing techniques, along with existing system integration software, are being used to reduce CFD execution times and to support the development of an integrated analysis/design system. This paper describes: the initial application for the technology being developed, the high speed civil transport (HSCT) inlet control problem; activities being pursued in each discipline area; and a prototype analysis/design system in place for interactive operation and visualization of a time-accurate HSCT-inlet simulation.

Cole, Gary L.↗
DOE OSTI2020

Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening

Photoinduced isomerization reactions lie at the heart of many chemical processes in nature. The mechanisms of such reactions are determined by a delicate interplay of coupled electronic and nuclear dynamics occurring on the femtosecond scale, followed by the slower redistribution of energy into different vibrational degrees of freedom. In this study, we apply time-resolved photoelectron spectroscopy with a seeded extreme ultraviolet free-electron laser to trace the ultrafast ring opening of gas-phase thiophenone molecules following ultraviolet photoexcitation. When combined with ab initio electronic structure and molecular dynamics calculations of the excited- and ground-state molecules, the results provide insights into both the electronic and nuclear dynamics of this fundamental class of reactions. The initial ring opening and non-adiabatic coupling to the electronic ground state are shown to be driven by ballistic S–C bond extension and to be complete within 350 fs. Theory and experiment also enable visualization of the rich ground-state dynamics that involve the formation of, and interconversion between, ring-opened isomers and the cyclic structure, as well as fragmentation over much longer timescales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Focused Schlieren flow visualization studies of multiple venturi fuel injectors in a high pressure combustor

Multiple venturi fuel injectors were used to obtain uniform fuel distributions, better atomization and vaporization in the premixing/prevaporizing section of a lean premixed/prevaporized flame tube combustor. A focused Schlieren system was used to investigate the fuel/air mixing effectiveness of various fuel injection configurations. The Schlieren system was focused to a plane within the flow field of a test section equipped with optical windows. The focused image plane was parallel to the axial direction of the flow and normal to the optical axis. Images from that focused plane, formed by refracted light due to density gradients within the flow field, were filmed with a high-speed movie camera at framing rates of 8,000 frames per second (fps). Three fuel injection concepts were investigated by taking high-speed movies of the mixture flows at various operating conditions. The inlet air temperature was varied from 600 F to 1000 F, and inlet pressures from 80 psia to 150 psia. Jet-A fuel was used typically at an equivalence ratio of 0.5. The intensity variations of the digitized Schlieren images were analytically correlated to spatial density gradients of the mixture flows. Qualitative measurements for degree of mixedness, intensity of mixing, and mixing completion time are shown. Various mixing performance patterns are presented with different configurations of fuel injection points and operating conditions.

Chun, K. S.↗
DOE OSTI2022

Visualization of a Limonene Synthesis Metabolon Inside Living Bacteria by Hyperspectral SRS Microscopy

Abstract Monitoring biosynthesis activity at single‐cell level is key to metabolic engineering but is still difficult to achieve in a label‐free manner. Using hyperspectral stimulated Raman scattering imaging in the 670–900 cm −1 region, localized limonene synthesis are visualized inside engineered Escherichia coli . The colocalization of limonene and GFP‐fused limonene synthase is confirmed by co‐registered stimulated Raman scattering and two‐photon fluorescence images. The finding suggests a limonene synthesis metabolon with a polar distribution inside the cells. This finding expands the knowledge of de novo limonene biosynthesis in engineered bacteria and highlights the potential of SRS chemical imaging in metabolic engineering research.

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

Hydroporphyrin-Doped Near-Infrared-Emitting Polymer Dots for Cellular Fluorescence Imaging

We report Near-infrared (NIR) fluorescent semiconductor polymer dots (Pdots) have shown great potential for fluorescence imaging due to their exceptional chemical and photophysical properties. This paper describes the synthesis of NIR emitting Pdots with great control and tunability of emission peak wavelength. The Pdots were prepared by doping poly [(9,9-dioctylfluorenyl-2,7-diyl)-altco-(1,4-benzo-(2,1’,3)-thiadiazole)] (PFBT), a semiconducting polymer commonly used as a host polymer in luminescent Pdots, with a series of chlorins and bacteriochlorins with varying functional groups. Chlorins and bacteriochlorins are ideal dopants due to their high hydrophobicity, which precludes their use as molecular probes in aqueous biological media but on the other hand prevents their leakage when doped into Pdots. Additionally, chlorins and bacteriochlorins have narrow deep-red to NIR emission bands and the wide array of synthetic modifications available for modifying their molecular structure enables tuning their emission predictably and systematically. Transmission electron microscopy (TEM) and dynamic light scattering (DLS) measurements show the chlorin and bacteriochlorin-doped Pdots to be nearly spherical with an average diameter of 46±12 nm. Efficient energy transfer between PFBT and the doped chlorins or bacteriochlorins decreases the PFBT donor emission to near baseline level and increases the emission of the doped dyes that serve as acceptors. The chlorin and bacteriochlorindoped Pdots show narrow emission bands ranging from 640 nm to 820 nm depending on the doped dye. The paper demonstrates the utility of the systematic chlorin and bacteriochlorin synthesis approach by preparing Pdots of varying emission peak wavelength, utilizing them to visualize multiple targets using wide field fluorescence microscopy, binding them to secondary antibodies, and determining the binding of secondary antibody-conjugated Pdots to primary antibody-labeled receptors in plant cells. Additionally, the chlorin and bacteriochlorin doped Pdots show a blinking behavior that could enable their use in super resolution imaging methods like STORM.

13C-NMR↗
DOE OSTI2021

Controlling thermoelectric transport via native defects in the diamond-like semiconductors Cu 2 HgGeTe 4 and Hg 2 GeTe 4

Diamond like semiconductors (DLS) have emerged as candidates for thermoelectric energy conversion. Towards understanding and optimizing performance, we present a comprehensive investigation of the electronic properties of two DLS phases, quaternary Cu 2 HgGeTe 4 and related ordered vacancy compound Hg 2 GeTe 4 , including thermodynamic stability, defect chemistry, and transport properties. To establish the thermodynamic link between the related but distinct phases, the stability region for both is visualized in chemical potential space. In spite of their similar structure and bonding, we show that the two materials exhibit reciprocal behaviors for dopability. Cu 2 HgGeTe 4 is degenerately p-type in all environments despite its wide stability region, due to the presence of low-energy acceptor defects V Cu and Cu Hg and is resistant to extrinsic n-type doping. Meanwhile Hg 2 GeTe 4 has a narrow stability region and intrinsic behavior due to the relatively high formation energy of native defects, but presents an opportunity for bi-polar doping. While these two compounds have similar structure, bonding, and chemical constituents, the reciprocal nature of their dopability emerges from significant differences in band edge positions. A Brouwer band diagram approach is utilized to visualize the role of native defects on carrier concentrations, dopability, and transport properties. Here this study elucidates the doping asymmetry between two solid-solution forming DLS phases Cu 2 HgGeTe 4 and Hg 2 GeTe 4 by revealing the defect chemistry of each compound, and suggests design strategies for defect engineering of DLS phases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Development of Streamlined Nuclear Safety Analysis Tool for Spent Nuclear Fuel Applications

To understand the changing nuclear and mechanical characteristics of spent nuclear fuel (SNF) or used nuclear fuel (UNF) and the different storage, transportation, and disposal systems at various stages within the waste management system, different types of analyses are required. These analyses require the use of assorted tools and numerous types of data. Using the appropriate modeling and simulation (M&S) parameters and selecting from the diversity of analytic tools to conduct SNF analyses can be a tedious, error-prone, and time-consuming undertaking for analysts and reviewers alike. A new, integrated data and analysis system was designed to simplify and automate performance of accurate, efficient evaluations for characterizing the input to the overall U.S. nuclear waste management system—the UNF-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS). A relational database has been assembled to provide a standard means by which UNF-ST&DARDS can succinctly store and retrieve M&S parameters for specific SNF analysis. A library of various analysis model templates is used to communicate M&S parameters for the most appropriate M&S application. A process manager facilitates performance of actual as-loaded, assembly-specific, and cask-specific evaluations. Interactive visualization capabilities facilitate data analysis and results interpretation. To date, UNF-ST&DARDS has completed (1) explicit depletion and decay analysis of every fuel assembly (~245 000) discharged from commercial U.S. reactors through June 2013, with 13 cooling time steps (results include isotopic compositions for 142 isotopes, and radiation and thermal source terms); (2) SNF radiation dose rate evaluations at 1 m for all the fuel assemblies discharged through June 2013; and (3) criticality, shielding, thermal, and containment analyses of hundreds of loaded casks. In conclusion, UNF-ST&DARDS also provides various automated report generation capabilities with dynamic figure and table update capabilities based on changes to the Unified Database.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

A unique copper coordination structure with both mono- and bi-dentate ethylenediamine ligands

The compound (ethylenediamine-N)-bis(ethylenediamine-N,N')-copper(II) bis(nitrate) is reported. It has an asymmetric unit containing Cu(II) penta-coordinating to two chelating ethylenediamine (en) and one monodentate en ligands with square-pyramidal-based geometry having severe trigonal distortion, together with two nitrate anions. It is the first crystallographic confirmation of the existence of penta-coordination with exclusively en ligands for any metal center, as well as the first monodentate en attached to Cu(II) seen in the solid state. It can be visualized as the penta-ammine effect realized solely with bi-amine ligands, defying the presumed necessity of mono-amines. X-ray crystallography establishes it to have P2 1 /c space group with a = 12.83 Å, b = 9.77 Å, c = 11.91 Å, and β = 94.8° (at 100 K). Spectroscopic analysis of this compound is consistent with the crystallographic assessment of the coordination chemistry, and it is found to be a S = 1/2 paramagnet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Visualizing Anisotropic Oxygen Diffusion in Ceria under Activated Conditions

Oxygen reactivity plays a key role in the performance of ceria-based catalysts. Aberration-corrected transmission electron microscopy and molecular dynamics simulations were used to study the oxygen atom diffusion in ceria under activated conditions. Reactive oxygen atom and its real-time diffusion were visualized. Additionally, the interplay between cerium and oxygen atoms originating from a Coulomb interaction was revealed by the out-of-plane buckling of cerium atoms associated with oxygen transport. Anisotropic oxygen atom diffusion that depends on crystal orientations was discovered, demonstrating a preferential [001] crystallographic diffusion pathway. These findings reveal prospects for applications of anisotropic orientation-relevant fluorite-structured oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Misalignment Effect Function Measurement for Oblique Rotation Axes: Counterintuitive Predictions and Theoretical Extensions

The Misalignment Effect Function (MEF) describes the decrement in manual performance associated with a rotation between operators' visual display frame of reference and that of their manual control. It now has been empirically determined for rotation axes oblique to canonical body axes and is compared with the MEF previously measured for rotations about canonical axes. A targeting rule, called the Secant Rule, based on these earlier measurements is derived from a hypothetical process and shown to describe some of the data from three previous experiments. It explains the motion trajectories determined for rotations less than 65deg in purely kinematic terms without the need to appeal to a mental rotation process. Further analysis of this rule in three dimensions applied to oblique rotation axes leads to a somewhat surprising expectation that the difficulty posed by rotational misalignment should get harder as the required movement is shorter. This prediction is confirmed. Geometry underlying this rule also suggests analytic extensions for predicting more generally the difficulty of making movements in arbitrary directions subject to arbitrary misalignments.

rotated control frames↗
DOE OSTI2022

An Alternative Timing and Synchronization Approach for Situational Awareness and Predictive Analytics

Accurate and synchronized timing information is required by power system operators for controlling the grid infrastructure (relays, Phasor Measurement Units (PMUs), etc.) and determining asset positions. Satellite-based global positioning system (GPS) is the primary source of timing information. However, GPS disruptions today (both intentional and unintentional) can significantly compromise the reliability and security of our electric grids. A robust alternate source for accurate timing is critical to serve both as a deterrent against malicious attacks and as a redundant system in enhancing the resilience against extreme events that could disrupt the GPS network. To achieve this, we rely on the highly accurate, terrestrial atomic clock-based network for alternative timing and synchronization. In this paper, we discuss an experimental setup for an alternative timing approach. The data obtained from this experimental setup is continuously monitored and analyzed using various time deviation metrics. We also use these metrics to compute deviations of our clock with respect to the National Institute of Standards and Technologys (NIST) GPS data. The results obtained from these metric computations are elaborately discussed. Finally, we discuss the integration of the procedures involved, like real-time data ingestion, metric computation, and result visualization, in a novel microservices-based architecture for situational awareness.

Chinthavali, Supriya↗
DOE OSTI2020

Building Electron/Proton Nanohighways for Full Utilization of Water Splitting Catalysts

Low electron/proton conductivities of electrochemical catalysts, especially earth-abundant nonprecious metal catalysts, severely limit their ability to satisfy the triple-phase boundary (TPB) theory, resulting in extremely low catalyst utilization and insufficient efficiency in energy devices. In this study, an innovative electrode design strategy is proposed to build electron/proton transport nanohighways to ensure that the whole electrode meets the TPB, therefore significantly promoting enhance oxygen evolution reactions and catalyst utilizations. It is discovered that easily accessible/tunable mesoporous Au nanolayers (AuNLs) not only increase the electrode conductivity by more than 4000 times but also enable the proton transport through straight mesopores within the Debye length. The catalyst layer design with AuNLs and ultralow catalyst loading (≈0.1 mg cm -2 ) augments reaction sites from 1D to 2D, resulting in an 18-fold improvement in mass activities. Furthermore, using microscale visualization and unique coplanar-electrode electrolyzers, the relationship between the conductivity and the reaction site is revealed, allowing for the discovery of the conductivity-determining and Debye-length-determining regions for water splitting. These findings and strategies provide a novel electrode design (catalyst layer + functional sublayer + ion exchange membrane) with a sufficient electron/proton transport path for high-efficiency electrochemical energy conversion devices.

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

Geometric imaging of borophene polymorphs with functionalized probes

A common characteristic of borophene polymorphs is the presence of hollow hexagons (HHs) in an otherwise triangular lattice. The vast number of possible HH arrangements underlies the polymorphic nature of borophene, and necessitates direct HH imaging to definitively identify its atomic structure. While borophene has been imaged with scanning tunneling microscopy using conventional metal probes, the convolution of topographic and electronic features hinders unambiguous identification of the atomic lattice. Here, we overcome these limitations by employing CO-functionalized atomic force microscopy to visualize structures corresponding to boron-boron covalent bonds. Additionally, we show that CO-functionalized scanning tunneling microscopy is an equivalent and more accessible technique for HH imaging, confirming the v1/5 and v1/6 borophene models as unifying structures for all observed phases. Using this methodology, a borophene phase diagram is assembled, including a transition from rotationally commensurate to incommensurate phases at high growth temperatures, thus corroborating the chemically discrete nature of borophene.

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

The Conventional Gas Diffusion Electrode May Not Be Resistant to Flooding during CO 2 /CO Reduction

The electrochemical CO 2 or CO reduction to chemicals and fuels using renewable energy is a promising way to reduce anthropogenic carbon emissions. The gas diffusion electrode (GDE) design enables low-carbon manufacturing of target products at a current density (e.g., 500 mA cm –2 ) relevant to industrial requirements. However, the long-term stability of the GDE is restricted by poor water management and flooding, resulting in a significant hydrogen evolution reaction (HER) within almost an hour. The optimization of water management in the GDE demands a thorough understanding of the role of the gas diffusion layer (GDL) and the catalyst layer (CL) distinctively. In this work, the hydrophobicity of the GDL and CL is independently adjusted to investigate their influence on gas transport efficiency and water management. The gas transport efficiency is more enhanced with the increase in hydrophobicity of the GDL than the CL. Direct visualization of water distribution by optical microscope and micro-computed tomography demonstrates that the water flow pattern transfers from the stable displacement to capillary fingering as GDL hydrophobicity increases. Unfortunately, only increasing the hydrophobicity is not sufficient to prevent flooding. A revolutionary change in the design of the GDE structure is essential to maintain the long-term stability of CO 2 /CO reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ultrathin platinum nanowire based electrodes for high-efficiency hydrogen generation in practical electrolyzer cells

Significant reduction of noble metal catalyst loading and simplification of electrode fabrication are urgently needed in order to lower the cost of proton exchange membrane electrolyzer cells (PEMECs) for large-scale hydrogen production. Herein, we report an integrated electrode design comprising in-situ grown platinum nanowires (PtNW) on ultrathin titanium liquid/gas diffusion layers (LGDLs) via a cost-effective and green chemical synthesis approach. The ultrathin integrated PtNW electrodes showed a low cell voltage of 1.643 V and high efficiency of 90.08% at 1000 mA cm -2 using about 15 times lower catalyst loadings than a conventional catalyst-coated membrane in PEMEC tests. Ex-situ electrochemical characterizations and microscale visualizations further reveal that PtNW electrodes display highly efficient hydrogen evolution reactions and excellent electrode durability due to high active surface area, favorable bubble detachment, and structural stability. This work provides new insights into catalyst layer design and facile ultrathin electrode fabrication for more compact and low-cost PEM electrolyzers, fuel cells and other systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Computer-aided discovery of a metal–organic framework with superior oxygen uptake

Current advances in materials science have resulted in the rapid emergence of thousands of functional adsorbent materials in recent years. This clearly creates multiple opportunities for their potential application, but it also creates the following challenge: how does one identify the most promising structures, among the thousands of possibilities, for a particular application? Here, we present a case of computer-aided material discovery, in which we complete the full cycle from computational screening of metal–organic framework materials for oxygen storage, to identification, synthesis and measurement of oxygen adsorption in the top-ranked structure. We introduce an interactive visualization concept to analyze over 1000 unique structure–property plots in five dimensions and delimit the relationships between structural properties and oxygen adsorption performance at different pressures for 2932 already-synthesized structures. We also report a world-record holding material for oxygen storage, UMCM-152, which delivers 22.5% more oxygen than the best known material to date, to the best of our knowledge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

3D GeoWall Analysis System for Shuttle External Tank Foreign Object Debris Events

An analytical, advanced imaging method has been developed for the initial monitoring and identification of foam debris and similar anomalies that occur post-launch in reference to the space shuttle s external tank (ET). Remote sensing technologies have been used to perform image enhancement and analysis on high-resolution, true-color images collected with the DCS 760 Kodak digital camera located in the right umbilical well of the space shuttle. Improvements to the camera, using filters, have added sharpness/definition to the image sets; however, image review/analysis of the ET has been limited by the fact that the images acquired by umbilical cameras during launch are two-dimensional, and are usually nonreferenceable between frames due to rotation translation of the ET as it falls away from the space shuttle. Use of stereo pairs of these images can enable strong visual indicators that can immediately portray depth perception of damaged areas or movement of fragments between frames is not perceivable in two-dimensional images. A stereoscopic image visualization system has been developed to allow 3D depth perception of stereo-aligned image pairs taken from in-flight umbilical and handheld digital shuttle cameras. This new system has been developed to augment and optimize existing 2D monitoring capabilities. Using this system, candidate sequential image pairs are identified for transformation into stereo viewing pairs. Image orientation is corrected using control points (similar points) between frames to place the two images in proper X-Y viewing perspective. The images are then imported into the WallView stereo viewing software package. The collected control points are used to generate a transformation equation that is used to re-project one image and effectively co-register it to the other image. The co-registered, oriented image pairs are imported into a WallView image set and are used as a 3D stereo analysis slide show. Multiple sequential image pairs can be used to allow forensic review of temporal phenomena between pairs. The observer, while wearing linear polarized glasses, is able to review image pairs in passive 3D stereo.

Brown, Richard↗