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At least 523 records · Page 29

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Role of shell composition and morphology in achieving single-emitter photostability for green-emitting “giant” quantum dots

The use of the varied chemical reactivity of precursors to drive the production of a desired nanocrystal architecture has become a common method to grow thick-shell graded alloy quantum dots (QDs) with robust optical properties. Conclusions on their behavior assume the ideal chemical gradation and uniform particle composition. In this work, advanced analytical electron microscopy (high-resolution scanning transmission electron microscopy coupled with energy dispersive spectroscopy) is used to confirm the nature and extent of compositional gradation and these data are compared with performance behavior obtained from single-nanocrystal spectroscopy to elucidate structure, chemical-composition, and optical-property correlations. In particular, the evolution of the chemical structure and single-nanocrystal luminescence was determined for a time-series of graded-alloy “CdZnSSe/ZnS” core/shell QDs prepared in a single-pot reaction. In a separate step, thick (~6 monolayers) to giant (>14 monolayers) shells of ZnS were added to the alloyed QDs via a successive ionic layer adsorption and reaction (SILAR) process, and the impact of this shell on the optical performance was also assessed. By determining the degree of alloying for each component element on a per-particle basis, we observe that the actual product from the single-pot reaction is less “graded” in Cd and more so in Se than anticipated, with Se extending throughout the structure. The latter suggests much slower Se reaction kinetics than expected or an ability of Se to diffuse away from the initially nucleated core. It was also found that the subsequent growth of thick phase-pure ZnS shells by the SILAR method was required to significantly reduce blinking and photobleaching. However, correlated single-nanocrystal optical characterization and electron microscopy further revealed that these beneficial properties are only achieved if the thick ZnS shell is complete and without large lattice discontinuities. Thus, we identify the necessary structural design features that are required for ideal light emission properties in these green-visible emitting QDs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Longevity evaluation of SiC based alpha voltaic batteries with surface alpha sources

The alpha emitting actinide 241 Am is electrodeposited on the surface of the Pt electrode of in-house fabricated SiC Schottky diodes. With 17 nCi 241 Am directly coated on the top of a device, the 2-pi geometry yields a high energy (5.486 MeV) and a long-term irradiation accumulating to a high fluence (1.6 × 10 9 alpha particles’ infusion/month). The forward, reverse I/V, and dark current, are periodically measured to monitor key characteristics of device durability for any sign of degradation over time. The direct deposition of actinides on the surface of the device also enables the evaluation of radiation damage through alpha particles’ energy spectroscopic performance, which shows a clear spectrum degradation that can be reversed by optical excitation of the device prior to spectrum acquisition. As an analytical aide, the device performance is also simulated by Allpix 2 . Lastly, this study provides an insight into the durability of 4H-SiC as an energy converter option for alpha-voltaic batteries and the survivability in the other harsh environment found in nuclear fuel cycle, high energy physics, fission, fusion, and space exploration where rad-hard sensors are required.

Americium↗

NASA NTRS1983

The performance and application of high speed long life LH2 hybrid bearings for reusable rocket engine turbomachinery

Data are presented for two different experimental programs which were conducted to investigate the characteristics of a hybrid (hydrostatic/ball) bearing operating in liquid hydrogen. The same bearing design was used in both programs. Analytical predictions were made of the bearing characteristics and are compared with the experimental results when possible. The first program used a bearing tester to determine the steady state, transient, and cyclic life characteristics of the bearing over a wide range of operating conditions. The second program demonstrated the feasibility of applying hybrid bearings to an actual high speed turbopump by retrofitting and then testing an existing liquid hydrogen turbopump with the bearings.

Hannum, N. P.↗

NASA NTRS1983

The performance and application of high speed long life LH2 hybrid bearings for reusable rocket engine turbomachinery

Hannum, N. P.↗

NASA NTRS1982

CF6 jet engine diagnostics program. High pressure turbine roundness/clearance investigation

The effects of high pressure turbine clearance changes on engine and module performance was evaluated in addition to the measurement of CF6-50C high pressure turbine Stage 1 tip clearance and stator out-of-roundness during steady-state and transient operation. The results indicated a good correlation of the analytical model of round engine clearance response with measured data. The stator out-of-roundness measurements verified that the analytical technique for predicting the distortion effects of mechanical loads is accurate, whereas the technique for calculating the effects of certain circumferential thermal gradients requires some modifications. A potential for improvement in roundness was established in the order of 0.38 mm (0.015 in.), equivalent to 0.86 percent turbine efficiency which translates to a cruise SFC improvement of 0.36 percent. The HP turbine Stage 1 tip clearance performance derivative was established as 0.44 mm (17 mils) per percent of turbine efficiency at take-off power, somewhat smaller, therefore, more sensitive than predicted from previous investigations.

Howard, W. D.↗

DOE OSTI2023

Carboxyl-Alkyl Functionalized Conjugated Polyelectrolytes for High Performance Organic Electrochemical Transistors

Not Available

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1961

Analytical Investigation of an Adaptive Flight-Control System Using a Sinusoidal Test Signal

An analytical study was made of an adaptive flight-control system which measures vehicle response to small-amplitude control-surface deflections produced by a sinusoidal test signal. Changes in the response to this signal are related to environmental changes,, and the system is continuously altered to maintain this response equal to a preselected value. The system is suitable for use in high-performance aircraft and missiles and requires only the addition of a signal generator and a logic circuit consisting of a filter-rectifier network and a comparator-integrator network to a basic command-control system. Thus, it presents a relatively simple approach to the problem. The effects on system performance of variation in flight condition, system-gain level, test-signal frequency, and sensor location are included in the analysis. Longitudinal control of a high-performance research aircraft over flight conditions ranging from landing approach to a Mach number of 5.8 at an altitude of 150,000 feet, and longitudinal control of a four-stage solid-fuel missile including the first bending mode over the atmospheric portion of a launch trajectory constituted the basis for the analytical study. Results of an analog-computer study using time-varying coefficients are presented to compare the control obtained with the adaptive system with-that obtained with a fixed-gain system during the atmospheric portion of a missile launch trajectory. The system has demonstrated an ability to maintain satisfactory vehicle control-system stability over wide ranges of environmental change.

Harris, Jack E.↗

DOE OSTI2021

Investigation of the Impurities in Erythritol Tetranitrate (ETN) Using UHPLC-QTOF

In order to further gain a comprehensive chemical understanding of erythritol tetranitrate (ETN), the synthesis impurities of ETN were investigated using ultrahigh performance liquid chromatography with tandem high resolution mass spectrometry (UHPLC-MS/MS). A total of 12 impurities were identified relating to the synthesis of ETN. We have synthesized pure analytical standards of erythritol-1,4-dinitrate (1,4-EDiN) and erythritol-1,2,4-trinitrate (1,2,4-ETriN). Furthermore, these isomerically pure standards have allowed for confirmation of the identity of some of the discovered impurities. Additionally, partially nitrated with sulfate substituted erythritol was identified which is theorized to have formed from the incomplete displacement of the formed sulfate group on the alcohol position during nitration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Metal alloy microparticle tagging of UO 2 fuel pellets for nuclear forensics

A tagging strategy for UO 2 fuel pellets will be discussed which involves the creation of alloyed metal microparticles that can be tuned to create a unique identification (“barcode”) indicating provenance of the pellets. These specialized markers would contain high temperature resistant materials, such as Ti, Mo, and Cr, in small quantities such that they do not interfere with the performance of the pellets but are recoverable by standard analytical techniques. The Amazemet rePowder ultrasonic atomization system was used to manufacture the microparticles, and sample pellets were fabricated and sintered containing these dopants. Various techniques, such as Scanning Electron Microscopy (SEM) and Electron Probe Microanalysis (EPMA), were used to evaluate these sample pellets to determine if particles (and their alloy compositions) were recoverable. Details on how the particles were manufactured and characterized will be detailed, as well as results from their incorporation into test pellets. Next steps will involve the scale of this technique using more conventional mass production methods, as well as the implementation of other alloys.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Plasmonic Terahertz Devices and Sensors Based on Carbon Electronics

Tunable terahertz (THz) photonic devices are imperative in a wide range of applications ranging from THz signal modulation to molecular sensing. One of the currently prevailing methods is based on arrays of metallic or dielectric resonators integrated with functional materials in response to an external stimulus, in which for the purpose of sensing the external stimuli may introduce inadvertent undesirable effects into the target samples to be measured. Here we developed an alternative approach by postprocessing nanothickness macro-assembled graphene (nMAG) films with widely tunable THz conductivity, enabling versatile solid-state THz devices and sensors, showing multifunctional nMAG-based applications. The THz conductivities of free-standing nMAGs showed a broad range from 1.2 x 10 3 S/m in reduced graphene oxide before annealing to 4.0 x 10 6 S/m in a nMAG film annealed at 2800 °C. We fabricated nMAG/dielectric/metal and nMAG/dielectric/nMAG THz Salisbury absorbers with broad reflectance ranging from 0% to 80%. The highly conductive nMAG films enabled THz metasurfaces for sensing applications. Taking advantage of the resonant field enhancement arising from the plasmonic metasurface structures and the strong interactions between analyte molecules and nMAG films, we have successfully detected diphenylamine with a limit of detection of 4.2 pg. Those wafer-scale nMAG films present promising potential in high-performance THz electronics, photonics, and sensors.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Automated classification of big X-ray diffraction data using deep learning models

Abstract In current in situ X-ray diffraction (XRD) techniques, data generation surpasses human analytical capabilities, potentially leading to the loss of insights. Automated techniques require human intervention, and lack the performance and adaptability required for material exploration. Given the critical need for high-throughput automated XRD pattern analysis, we present a generalized deep learning model to classify a diverse set of materials’ crystal systems and space groups. In our approach, we generate training data with a holistic representation of patterns that emerge from varying experimental conditions and crystal properties. We also employ an expedited learning technique to refine our model’s expertise to experimental conditions. In addition, we optimize model architecture to elicit classification based on Bragg’s Law and use evaluation data to interpret our model’s decision-making. We evaluate our models using experimental data, materials unseen in training, and altered cubic crystals, where we observe state-of-the-art performance and even greater advances in space group classification.

Chemistry↗

DOE OSTI2025

Laser-spectroscopy testbed for impurity monitoring in liquid metal-cooled fast reactors

A significant challenge in sodium-cooled fast reactors is controlling impurities, in particular oxygen impurities, within the sodium coolant, as they can accelerate corrosion and indicate leaks. Optical methods offer the potential to rapidly detect small concentrations of both gaseous and metal impurities that accelerate corrosion, plug coolant channels, and lead to increased activation of isotopes in the coolant. We present the design and performance of an apparatus designed to enable the application of multiple optical analytical techniques, such as laser-induced breakdown spectroscopy, to detect elemental impurities in the sodium melt with high sensitivity. Here, we experimentally demonstrate the detection of characteristic sodium and oxygen spectral lines in liquid sodium, which sets the stage for the optimization of its analytical sensitivity. A robust sensor of this type integrated with the sodium cooling loop has the potential to significantly improve the safety and operational efficiency of generation IV nuclear reactors.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Navigating Exascale Operational Data Analytics: From Inundation to Insight

In this paper, we address the challenges in achieving sustainable data-driven efficiency by providing a detailed exploration of the end-to-end operational data analytics (ODA) framework that evolved through two generations of supercomputer systems at the Oak Ridge Leadership Computing Facility (OLCF). This framework addresses large data streams ingested from heavily instrumented HPC environment that accumulates multi-terabytes per day. We outline the multifaceted data life cycle across HPC procurement, operations, and research & development, identifying key obstacles and design decisions that shape effective strategies in building and supporting data pipelines end-to-end. By sharing key insights and lessons learned from our experience, we offer recommendations for the HPC community on enabling sustainable operational data analytics and beyond. Our contributions aim to bridge the gap between potential and real benefits of operational data, guiding future efforts towards integrated and sustainable operational intelligence in high-performance computing environments.

Shin, Woong↗

NASA NTRS1951

Analytical investigation of ram-jet-engine performance in flight Mach number range from 3 to 7

An analytical investigation was made of the performance of isolated ram-jet engines in the flight Mach number range from 3 to 7 for two types of diffuser, a high-efficiency diffuser, and a normal-shock diffuser. The fuel was assumed to be a hydrocarbon similar to gasoline. The conclusions reached are: (1) a design altitude of about 100,000 feet is desirable for a high-efficiency high Mach number ram jet on the basis of engine construction and performance; and (2) although greater thrust could be obtained with other fuels, gasoline provides sufficient energy release for maximum engine efficiency in the flight Mach number range investigated. The maximum engine efficiency calculated was 0.47, which occurred at a Mach number of 5. At a Mach number of 7, the maximum propulsive-thrust coefficient was 0.57.

ENGINES, RAM JET↗

DOE OSTI2020

Building Durable Multimetallic Electrocatalysts from Intermetallic Seeds

When combined with earth-abundant metals, Pt-based alloy nanoparticles (NPs) can be cost-effective electrocatalysts. However, these NPs can experience leaching of non-noble-metal components under harsh electrocatalytic conditions. In this work, the Skrabalak group has demonstrated a novel NP construct in which Pt-based random alloy surfaces are stabilized against non-noble-metal leaching by their deposition onto intermetallic seeds. These core@shell NPs are highly durable electrocatalysts, with the ability to tune catalytic performance by the core@shell architecture, surface alloy composition, and NP shape. This versatility was demonstrated in a model system in which random alloy (ra-) PtM surfaces were deposited onto ordered intermetallic (i-) PdCu seeds using seed-mediated co-reduction (SMCR). In the initial demonstration, ra-PtCu shells were deposited on i-PdCu seeds, with these core@shell NPs exhibiting higher specific and mass activities for the oxygen reduction reaction (ORR) when compared to similarly sized ra-PtCu NPs. These NPs also showed outstanding durability, maintaining ~85% in specific activity after 5000 cycles. Characterization of the NPs after use revealed minimal loss of Cu. The activity enhancement was attributed to the strained surface that arises from the lattice mismatch between the intermetallic core and random alloy surface. The outstanding durability was attributed to the ordered structure of the intermetallic core. The origin of this durability enhancement was investigated by classical molecular dynamics simulations, where Pt atoms were found to have a lower potential energy when deposited on an intermetallic core than when deposited on a random alloy core. Also, ordering of Cu atoms at the core@shell interface appears to enhance the overall binding between the core and the shell materials. Inspired by this initial demonstration, SMCR has been used to achieve shells of different random alloy compositions, PtM (M = Ni, Co, Cu, or Fe). This advance is significant because ligand effects vary as a function of PtM identity and Pt/M ratio. These features also influence the degree of surface strain imparted from the lattice mismatch between the core and shell materials. Like the initial demonstration, standout features of these core@shell NPs were high durability and resistance to non-noble metal leaching. Moving forward, efforts have been directed toward integrating shape-control to this core@shell NP construct. This integration is motivated by the shape-dependent catalytic performance of NPs derived from the selective expression of specific facets. Considering the initial i-PdCu@ra-PtCu system, NPs with a cubic shape have been achieved by judicious selection of capping ligands during SMCR. Evaluation of these NPs as catalysts for the electrooxidation of formic acid found that the nanocubic shape enhances catalytic performance compared to similar core@shell NPs with a spherical morphology. We envision that SMCR can be applied to other NP systems to achieve highly durable catalysts as the syntheses of monodisperse and shape-controlled intermetallic seeds are advanced. This Account highlights the role of intermetallic cores in providing more durable electrocatalysts. More broadly, the versatility of SMCR is highlighted as a route to integrate architecture, alloy surfaces, and shape within one NP system, and how this achievement is inspiring new high-performance and robust catalysts is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Carrier recombination dynamics and temperature dependent optical properties of InAs–GaSb heterostructures

Heterostructures with two dissimilar materials could offer unprecedented properties if one can carefully synthesize these heterostructures with atomically smooth interfaces and reduced number of recombination centers. InAs/GaSb-based heterostructures have technological importance for long wavelength infrared photodetectors if one can synthesize these materials with high-optical quality and high-carrier lifetime. In this work, the InAs/GaSb heterostructures with a different number of heterointerfaces and growth conditions were grown by solid source molecular beam epitaxy using valved cracker sources for both arsenic and antimony. Precise control of growth parameters and shutter sequences enabled abrupt InAs/GaSb heterointerfaces, as supported by a high-resolution transmission electron microscopic study. The temperature and power-dependent optical properties by photoluminescence (PL) spectroscopic analysis of InAs/GaSb heterostructures with 4 and 28 heterointerfaces displayed donor to the acceptor and the exciton bound to complex defects (V Ga Ga Sb ) 0 . Since the optical transition in PL measurements serves to determine the quality of the material, and the observed excitonic transitions from these InAs/GaSb heterostructures is an indication of high-quality materials. The high-carrier lifetimes of 139 ns to 185 ns from InAs/GaSb heterostructures were measured using microwave photoconductivity decay (μ-PCD) technique at room temperature. The observed increase in carrier lifetime is due to the decreasing number of Ga-related carrier recombination centers or defect complexes. This is further supported by the PL spectroscopic study. In addition, the carrier lifetime with different injection levels is supported by Shockley–Read–Hall recombination. We report these InAs/GaSb heterostructures with high-optical quality and high-carrier lifetimes would offer a path for the development of high-performance infrared photodetectors.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Brief summary of the evolution of high-temperature creep-fatigue life prediction models for crack initiation

The evolution of high-temperature, creep-fatigue, life-prediction methods used for cyclic crack initiation is traced from inception in the late 1940's. The methods reviewed are material models as opposed to structural life prediction models. Material life models are used by both structural durability analysts and by material scientists. The latter use micromechanistic models as guidance to improve a material's crack initiation resistance. Nearly one hundred approaches and their variations have been proposed to date. This proliferation poses a problem in deciding which method is most appropriate for a given application. Approaches were identified as being combinations of thirteen different classifications. This review is intended to aid both developers and users of high-temperature fatigue life prediction methods by providing a background from which choices can be made. The need for high-temperature, fatigue-life prediction methods followed immediately on the heels of the development of large, costly, high-technology industrial and aerospace equipment immediately following the second world war. Major advances were made in the design and manufacture of high-temperature, high-pressure boilers and steam turbines, nuclear reactors, high-temperature forming dies, high-performance poppet valves, aeronautical gas turbine engines, reusable rocket engines, etc. These advances could no longer be accomplished simply by trial and error using the 'build-em and bust-em' approach. Development lead times were too great and costs too prohibitive to retain such an approach. Analytic assessments of anticipated performance, cost, and durability were introduced to cut costs and shorten lead times. The analytic tools were quite primitive at first and out of necessity evolved in parallel with hardware development. After forty years more descriptive, more accurate, and more efficient analytic tools are being developed. These include thermal-structural finite element and boundary element analyses, advanced constitutive stress-strain-temperature-time relations, and creep-fatigue-environmental models for crack initiation and propagation. The high-temperature durability methods that have evolved for calculating high-temperature fatigue crack initiation lives of structural engineering materials are addressed. Only a few of the methods were refined to the point of being directly useable in design. Recently, two of the methods were transcribed into computer software for use with personal computers.

Halford, Gary R.↗

NASA NTRS1976

Investigation of upper-surface-blowing nacelle integration at cruise speeds utilizing powered engine simulators

Various overwing nacelle designs were investigated on a representative four engine short haul aircraft configuration during a combined analytical and experimental program. Design conditions were M sub o = 0.7 and C sub L = 0.4. All nacelles had D shaped nozzle exits and included a streamline contoured design, a low boattail angle reference configuration, and a high boattail angle powered lift design. Testing was done with the design four engine airplane configuration as well as with only inboard nacelles installed. Turbopowered engine simulators were used to provide realistic representation of nacelle flows. Performance trends are compared for the various nacelle designs. In addition, comparisons are presented between analytical and experimental pressure distributions and between flow through and powered simulator results.

Meleason, E. T.↗