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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Spectroscopic properties and rate equation model of Er doped BaLaGa3O7 crystals

Highlights: • We grew Er{sup 3+} activated BaLaGa{sub 3}O{sub 7} crystal for usage in mid-infrared laser. • The change of Er{sup 3+} doping concentration had significant effect on the fluorescence properties. • The best doping concentration of Er{sup 3+} should be maintained at 10–15at% to obtain 2.7 μm output. • We built and discussed the rate equation model according to the energy transfer diagram. - Abstract: Single crystals of pure and Er{sup 3+} doped BaLaGa{sub 3}O{sub 7} were grown successfully by the Czochralski technique. The absorption spectra, emission spectra including up-conversion, near-infrared and mid-infrared fluorescence spectra, as well as the fluorescence decay curves were measured at room temperature. The optical parameters of absorption and emission cross sections, the fluorescence lifetimes were evaluated and compared. Based on the Judde-Ofelt theory, Judde-Ofelt parameters such as the fluorescent branching ratios, the spontaneous transition probabilities and the radiative lifetimes were calculated. According to the energy transfer diagram, the rate equation model was built and discussed. In summary, Er{sup 3+}: BaLaGa{sub 3}O{sub 7} crystal is attractive and significant as laser gain material for realization of ∼2.7 μm laser output.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Tailoring a Three-Phase Microenvironment for High-Performance Oxygen Reduction Reaction in Proton Exchange Membrane Fuel Cells

Despite tremendous progress in catalyst development for rate-limiting cathodic oxygen reduction reaction (ORR), reducing Pt usage while meeting performance requirements in practical proton exchange membrane fuel cells (PEMFCs) remains a challenge. The ORR in PEMFCs occurs at a catalyst–electrolyte–gas three-phase interface. A desirable interface should exhibit highly active and available catalytic sites, as well as allow efficient oxygen and proton feeding to the catalytic sites and timely removal of water to avoid interface flooding. In this work, we report the design of a three-phase microenvironment in PEFMCs, showing that carbon surface chemistry can be tuned to modulate its interaction with the ionomers and create favorable transport paths for rapid delivery of both reactants and products. With such an elaborate interfacial design, for the first time we have demonstrated PEMFCs with all key ORR catalyst performance metrics, including mass activity, rated power, and durability, surpassing the US Department of Energy targets.

25 ENERGY STORAGE↗
DOE OSTI2020

Functionalized separator for next-generation batteries

Advancements in battery technology have dramatically increased demand for improvements in separator design, as the separator plays a critical role in ensuring the safety and electrochemical performance of the cells. Current separators, either in commercial usage or under investigation, have yet to meet the high stability and lifespan performance standards necessary to prevent deterioration in the efficiency and reliability of the battery technologies. Recently, considerable effort has been devoted to developing functionalized separators, ranging from designing a variety of new materials and modification methods, and increasingly, to optimizing advanced preparation processes. In order to understand how the mechanisms of separator performance are affected by different properties, we will first summarize recent research progress and then have in-depth discussions regarding the separator's significant contribution to enhancing the safety and performance of the cell. Additionally, we then provide our design strategy for future separators, which not only meets the requirements of different type of batteries, but also aims for multifunctionality. We hope such a perspective could provide new inspiration in the development of separator research for future battery technologies.

25 ENERGY STORAGE↗
DOE OSTI2022

Magnetically recyclable nanocomposites via lanthanide-based MOFs grown on natural sea sponge: Screening hydrogenation of nitrophenol to aminophenol

Catalysts have played a significant role in chemical industries and received significant attention as a result. Unfortunately, many common catalytic systems are comprised of a small number of elemental species or use similar synthetic strategies, which potentially limit innovation in areas such as the discovery of new transformations. Metal-organic frameworks (MOFs) have been established as versatile materials employed in various applications that include catalysis; however, the majority of MOFs have been synthesized using transition metal building blocks, possibly hindering advances towards innovative materials with unique properties. Here this work reports the synthesis of MOFs based on lanthanide elements (Ln = Ce, Gd, La, and Sm), which demonstrate great potential yet are often overlooked. The Ln-based MOFs were grown in situ on natural sea sponge supports and Fe ion containing solution, followed by a thermal carbonization treatment to generate FeLn metal nanoparticles (NPs) embedded on carbon support (FeLn@C). These nanostructured products exhibited good crystallinity and well-confined particle sizes. We then demonstrate that these hybrid materials can be used as effective heterogeneous nanocatalysts for the hydrogenation of nitrophenol to aminophenol in aqueous media. Besides, FeLn@C catalysts had a magnetic property due to Fe atoms in the NPs, which can be mechanically separated out from the aqueous solution since the catalysts are magnetically attracted to the external magnets. This magnetic recyclability combined with the usage of the natural materials highlight the importance of sustainability in the design of Ln-based MOFs and their catalytic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A mechanistic interpretation of Nelson curves for PVP failures under high temperature hydrogen attack

As an empirically established design criterion, Nelson curves that relate the service temperature and the allowable hydrogen partial pressure have been developed and utilized for more than sixty years in pressure vessels and piping (PVP) safety design. Despite a relatively clear thermodynamic understanding of the high-temperature-hydrogen-attack (HTHA) problem, the detailed fracture process on the microstructural length scales, however, remains elusive, and a quantitative assessment of the PVP lifetime under HTHA from the available creep fracture dataset is still not possible. This work develops a microstructure-informed and micromechanics-based model by incorporating a synergy between hydrogen transport and intergranular-cavity-based fracture process. Based on the available creep lifetime data of C-0.5Mo steels, we are able to calibrate material constitutive parameters, and then conduct nonlinear finite element simulations that reveal a real-time stress-induced hydrogen diffusional transport along grain boundaries, coupled with a microstructure-explicit failure process, from which Nelson curves can be computed. Such failure analyses allow us to delineate two distinct regimes on the Nelson curves, i.e., dislocation-creep-controlled or grain boundary diffusion-assisted cavity growth. More importantly, we found that a small change of the pipe thickness and applied stresses can significantly shift these lifetime curves. However, these two parameters are usually not provided in Nelson curves, thus limiting their usage in material selection and safety design. In conclusion, this discrepancy can clearly be mitigated by extensive parametric studies from our micromechanical modeling/simulation framework.

36 MATERIALS SCIENCE↗
DOE OSTI2012

The use of RapidArc volumetric-modulated arc therapy to deliver stereotactic radiosurgery and stereotactic body radiotherapy to intracranial and extracranial targets

Twenty-three targets in 16 patients treated with stereotactic radiosurgery (SRS) or stereotactic body radiotherapy (SBRT) were analyzed in terms of dosimetric homogeneity, target conformity, organ-at-risk (OAR) sparing, monitor unit (MU) usage, and beam-on time per fraction using RapidArc volumetric-modulated arc therapy (VMAT) vs. multifield sliding-window intensity-modulated radiation therapy (IMRT). Patients underwent computed tomography simulation with site-specific immobilization. Magnetic resonance imaging fusion and optical tracking were incorporated as clinically indicated. Treatment planning was performed using Eclipse v8.6 to generate sliding-window IMRT and 1-arc and 2-arc RapidArc plans. Dosimetric parameters used for target analysis were RTOG conformity index (CI{sub RTOG}), homogeneity index (HI{sub RTOG}), inverse Paddick Conformity Index (PCI), D{sub mean} and D5-D95. OAR sparing was analyzed in terms of D{sub max} and D{sub mean}. Treatment delivery was evaluated based on measured beam-on times delivered on a Varian Trilogy linear accelerator and recorded MU values. Dosimetric conformity, homogeneity, and OAR sparing were comparable between IMRT, 1-arc RapidArc and 2-arc RapidArc plans. Mean beam-on times {+-} SD for IMRT and 1-arc and 2-arc treatments were 10.5 {+-} 7.3, 2.6 {+-} 1.6, and 3.0 {+-} 1.1 minutes, respectively. Mean MUs were 3041, 1774, and 1676 for IMRT, 1-, and 2-arc plans, respectively. Although dosimetric conformity, homogeneity, and OAR sparing were similar between these techniques, SRS and SBRT fractions treated with RapidArc were delivered with substantially less beam-on time and fewer MUs than IMRT. The rapid delivery of SRS and SBRT with RapidArc improved workflow on the linac with these otherwise time-consuming treatments and limited the potential for intrafraction organ and patient motion, which can cause significant dosimetric errors. These clinically important advantages make image-guided RapidArc useful in the delivery of SRS and SBRT to intracranial and extracranial targets.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Effect of brachytherapy technique and patient characteristics on cervical cancer implant dosimetry

Our purpose was to evaluate the relationship between brachytherapy technique and patient characteristics on dose to organs-at-risk (OARs) in patients undergoing high dose rate (HDR) brachytherapy for cervical cancer. From 1998 to 2008, 31 patients with cervical cancer with full dosimetric data were identified who received definitive external-beam radiation and HDR brachytherapy with tandem and ovoid applicators. Doses were recorded at point A, the International Commission on Radiation Units and Measurements (ICRU)-38 rectal point, the ICRU-38 bladder point, the vaginal surface, and the pelvic sidewall. Generalized estimating equations were used to determine the significance of changes in OAR to point A dose ratios with differences in brachytherapy technique or patient characteristics. Patients underwent a median of 5 brachytherapy procedures (range, 3 to 5), with a total of 179 procedures for 31 patients. For all brachytherapy treatments, the average ratios between the doses for the rectal, bladder, vaginal surface, and pelvic sidewall reference points to those at point A were 0.49, 0.59, 1.15, and 0.17, respectively. In general, decreased OAR dose was associated with a lower stage, younger age, increased ovoid size, increased tandem length, and earlier implant number. Increased tandem curvature significantly increased bladder dose and decreased rectal dose. Intravenous anesthesia usage was not correlated with improved dosimetry. This study allowed identification of patient and procedure characteristics influencing OAR dosing. Although the advent of 3-dimensional (3D) image-guided brachytherapy will bring new advances in treatment optimization, the actual technique involved at the time of the brachytherapy implant procedure will remain important.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Investigating the surface dose contribution of intrafractional kV imaging in CyberKnife-based stereotactic radiosurgery

CyberKnife treatment consists of hundreds of noncoplanar beams and numerous intrafractional images that can be taken during a single treatment fraction; thus, doses because of imaging should be considered in this technique. The aim of this study is to investigate the in-field and out-of-field surface doses induced from kV imaging system during stereotactic radiosurgery (SRS) treatment. The imaging-induced surface doses were measured at the center of the imaging field and within ±15-cm distance from the center in both craniocaudal and lateral directions. TLD100H thermoluminescence dosimeters and EBT2 gafchromic films were used to take the measurements at the locations of 0, ±5, ±10, and ±15 cm in the 2 orthogonal directions on abdominal region of a Rando phantom. The surface dose contributions of imaging system for the 4 most commonly used energy options of 90, 100, 110, and 120 kVp with 3 mAs options of 10, 30, and 90 mAs were measured and compared. Imaging dose values have a positive correlation with both parameters of energy and mAs. The energy options of 100, 110, and 120 kVp, in average, induced 60%, 101%, and 141% more doses per mAs than 90 kVp energy in the imaging field center. A threefold increase in mAs values, i.e., from 10 mAs to 30 mAs and from 30 mAs to 90 mAs, caused higher dose in field center with a factor of 2.53 ± 0.08 when the energy value was kept constant. The in-field dose distributions within ±10 cm in both directions showed a flat pattern with a standard deviation lower than 5%, whereas the out-of-field doses at ±15-cm distance from the field center suddenly dropped to almost half of the central doses. Although a single imaging attempt causes a very low dose compared with the therapeutic dose level, one should be aware of the cumulative surface dose increase with higher imaging number. Proper patient setup, fiducial usage, and reduction of both the mAs values and the imaging numbers should be, therefore, considered to keep the cumulative surface dose in a lower level.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2018

Immobilization and image-guidance methods for radiation therapy of limb extremity soft tissue sarcomas: Results of a multi-institutional survey

Radiation therapy for limb-extremity soft tissue sarcoma (STS) requires accurate, reproducible dose delivery. However, patient positioning is challenging and there is a lack of existing guidelines to assist institutional standardization. Therefore, we conducted a multi-institutional international survey of STS immobilization, image guidance methods, and treatment protocols to investigate current practice. Seventy-three UK radiotherapy centers and 15 hospitals in 7 other countries completed a questionnaire on STS immobilization and image-guidance procedures. Specifically, the survey collated information on the current usage of immobilization equipment, including custom devices, patient setup tolerances, the use of written protocols, the modality and frequency of image guidance, the method of treatment, allocated treatment times, and the application of surgical clips. Multiple combinations of immobilization devices were reported. In the UK, 12%, 40%, 30%, 12%, and 5% use 1, 2, 3, 4, and 5 types of device for lower limb STS. Vacuum bag plus either foot or ankle support was most common (66%). Of 15 international centers, 27%, 60%, 7%, 0%, 7% use 1, 2, 3, 4, 5 devices, with vacuum bags (73%) and thermoplastic (47%) predominant, similar to UK values of 77% and 52%. For image guidance, in the UK, 37% use kV planar, 34% use MV planar, and 16% use cone-beam CT for the first 3 fractions and then weekly. Internationally, daily imaging was more prevalent with 33% using kV planar, 7% MV planar, and 40% cone-beam CT daily. Custom devices plus combinations of devices, along with 5- and 10-mm set-up tolerances, were most commonly reported. Less than half of centers have written treatment protocols. Conventional treatment is most common in the UK, with only 42% using conformal techniques. Treatment is allocated between 10 and 30 minutes. Twenty-six percent of UK centers and 53% of international centers use surgical clips. Across treatment centers, there is no consistent approach to STS immobilization, image-guidance methods, or treatment protocols assessed by this survey. A wide variety of immobilization devices and configurations are utilized, and the frequency and modality of imaging are similarly diverse. In the absence of guidelines, the creation of an online repository of example immobilization techniques could enable centers to compare a diversity of cases. The availability of a forum for viewing and discussing a range of cases could potentially lead to improved patient setup and reduce the time taken to devise an individual immobilization strategy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Development of a rapid viability polymerase chain reaction method for detection of Yersinia pestis

Due to the occurrence of natural plague outbreaks and its historical usage as a biological weapon, Yersinia pestis is considered one of the high-priority biological threat agents. It can remain viable in certain environments including water for >100 days. Because of its slow-growth characteristic, it usually takes three or more days to detect and confirm the identity of viable Y. pestis cells by PCR, serological, or biochemical assays when using the traditional microbiological plate-culture-based analysis, and that too, assuming faster growing microbes present in a water sample do not mask the Y. pestis colonies and interfere with analysis. Therefore, a rapid-viability Polymerase Chain Reaction (RV-PCR) method was developed for detection of Y. pestis . The RV-PCR method combines 24 h-incubation broth culture in a 48-well plate, and pre- and post-incubation differential PCR analyses, thereby allowing for rapid and high-throughput sample analysis compared with the current plate culture method. One chromosomal and two plasmid gene target-based real-time PCR assays were down-selected, showing ca. 10 genome equivalent detection; the chromosomal assay was then used for RV-PCR method development. A 10 1 -cell level (10–99 cells) sensitivity of detection was demonstrated even with complex sample backgrounds including known PCR inhibitors (ferrous sulfate and humic acid), as well as metal oxides and microbes present in Arizona Test Dust (ATD). The method sensitivity was maintained in the presence of dead Y. pestis cells up to 10 4 cells per sample. While affording high-throughput and rapid sample analysis, the 48-well plate format used in this method for sample enrichment significantly reduced labor requirements and generation of BioSafety Level-3 (BSL-3) laboratory waste as compared to the usual microbiological plate-culture-based methods. In conclusion, this method may serve as a model for other vegetative bacterial pathogens.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Cryogenic temperature toughening and strengthening due to gradient phase structure

Cold embrittlement is one of the primary concerns challenging the usage of steels in infrastructures like pipelines and ocean platforms. This challenge is also compounded by the limited selection of materials for application in a cold and corrosive environment. Inspired by recent progresses in developing gradient structured materials with extraordinary properties, in this paper we report a class of stainless steels with gradient phase structures achieving a superb combination of strength (1753 MPa) and tensile ductility (>25%) at the cryogenic temperature of 77 K. A set of cylindrical steel samples acquire a graded mixture of hard martensitic and soft austenitic phases through pre-torsion, which results in an optimal stress partition in the material - the hard martensitic structures showing a positive density gradient from core to edge carry higher stress near the edge, while the soft austenitic phase showing a negative density gradient from core to edge serves to retain substantial tensile ductility. Finally, the phase-transformation at low temperature in gradient structures and the resulted work-hardening could be adopted to enhance the ductility and strength of widely used engineering materials for their applications in harsh environment.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Thermal behavior of glassy phase stabilized ammonium nitrate (PSAN) thin films

Ammonium nitrate (AN) is a high interest material because of its wide usage in propellants and explosives but can be difficult to handle from a formulation standpoint. It is soluble in many common solvents and has complex phase behavior. Here, we formulate phase stabilized AN (PSAN) films in a polymer matrix and characterize thermal and phase behavior using neutron reflectometry and ellipsometry. Our PSAN films are generally stable up to 160 °C, though we observe small material loss between 60 and 100 °C, which we attribute to solvent interactions with the PSAN. Crystallization of AN from supersaturated polymer is most common at thicker regions of the film, suggesting a critical nucleation thickness for the AN which can be avoided by making very thin films.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

Identification of the optimal carbon fiber shape for cost-specific compressive performance

We report carbon fiber composites offer superior mechanical performance compared to nearly all other useful materials for the design of structures. However, for cost-driven industries, such as with the wind energy and vehicle industries, the cost of commercial carbon fiber materials is often prohibitive for their usage compared to alternatives. This paper develops an approach to optimize fiber geometries for use in carbon fiber reinforced polymers to increase the compressive strength per unit cost. Compressive strength is a composite property that depends on the fiber, matrix, and interface, and an exact analytic expression does not exist that can accurately represent these complicated relationships. The approach taken instead is to use a weighted summation between the fiber cross-sectional area moment of inertia and perimeter as a proxy for compressive strength, with different weightings explored within the paper. Analyses are performed to identify optimal fiber geometries that increase the cost-specific compressive strength based on various assumptions and desired fiber volume fraction. Robust optimal shapes are identified which outperform circular fibers due to increases in area moment of inertia and perimeter, as well as decreases in carbon fiber processing costs.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Nucleophilic substitution between polysulfides and binders unexpectedly stabilizing lithium sulfur battery

Polysulfide shuttling has been the primary cause of failure in lithium-sulfur (Li-S) battery cycling. In this paper, we demonstrate an nucleophilic substitution reaction between polysulfides and binder functional groups can unexpectedly immobilizes the polysulfides. The substitution reaction is verified by UV–visible spectra and X-ray photoelectron spectra. The immobilization of polysulfide is in situ monitored by synchrotron based sulfur K-edge X-ray absorption spectra. The resulting electrodes exhibit initial capacity up to 20.4 mAh/cm 2 , corresponding to 1199.1 mAh/g based on a micron-sulfur mass loading of 17.0 mg/cm 2 . The micron size sulfur transformed into nano layer coating on the cathode binder during cycling. Directly usage of nano-size sulfur promotes higher capacity of 33.7 mAh/cm 2 , which is the highest areal capacity reported in Li-S battery. Finally, this enhance performance is due to the reduced shuttle effect by covalently binding of the polysulfide with the polymer binder.

25 ENERGY STORAGE↗
DOE OSTI2022

Efficient light-trapping in ultrathin GaAs solar cells using quasi-random photonic crystals

Ultrathin solar cells reduce material usage and allow the use of lower-quality materials thanks to their one order of magnitude smaller thickness than their conventional counterparts. However, efficient photonic light-trapping is required to harvest the incident light efficiently for an otherwise insufficient absorber thickness. Quasi-random photonic crystals are predicted to have high efficient light-trapping while being more robust under angle and thickness variations than simple photonic crystals. In this study, we experimentally demonstrate a light-trapping solution based on quasi-random photonic crystals fabricated by polymer blend lithography. We control the average lattice parameter by modifying the spin-coating speed. We demonstrate an ultrathin GaAs cell of 260 nm with a rear quasi-random pattern with submicron features, and a J sc = 26.4 mA/cm 2 and an efficiency of 22.35% under the global solar spectrum.

14 SOLAR ENERGY↗
DOE OSTI2012

LUXSim: A component-centric approach to low-background simulations

Geant4 has been used throughout the nuclear and high-energy physics community to simulate energy depositions in various detectors and materials. These simulations have mostly been run with a source beam outside the detector. In the case of low-background physics, however, a primary concern is the effect on the detector from radioactivity inherent in the detector parts themselves. From this standpoint, there is no single source or beam, but rather a collection of sources with potentially complicated spatial extent. LUXSim is a simulation framework used by the LUX collaboration that takes a component-centric approach to event generation and recording. A new set of classes allows for multiple radioactive sources to be set within any number of components at run time, with the entire collection of sources handled within a single simulation run. Various levels of information can also be recorded from the individual components, with these record levels also being set at runtime. This flexibility in both source generation and information recording is possible without the need to recompile, reducing the complexity of code management and the proliferation of versions. Within the code itself, casting geometry objects within this new set of classes rather than as the default Geant4 classes automatically extends this flexibility to every individual component. No additional work is required on the part of the developer, reducing development time and increasing confidence in the results. Here, we describe the guiding principles behind LUXSim, detail some of its unique classes and methods, and give examples of usage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Results on radiation tolerance of diamond detectors

In sight of the luminosity increase of the High Luminosity-LHC (HL-LHC), most experiments at the CERN Large Hadron Collider (LHC) are planning upgrades for their innermost layers in the next 5–10 years. These upgrades will require more radiation tolerant technologies than exist today. Usage of Chemical Vapor Deposition (CVD) diamond as detector material is one of the potentially interesting technologies for the upgrade. CVD diamond has been used extensively in the beam condition monitors of BaBar, Belle, CDF and all LHC experiments. Measurements of the radiation tolerance of the highest quality polycrystalline CVD material for a range of proton energies, pions and neutrons obtained with this material are presented. In addition, new results on the evolution of various semiconductor parameters as a function of the dose rate are described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Design and characterization of zero magnetic field chambers for high efficiency neutron polarization transport

Several methods of polarized neutron scattering call for a zero magnetic field region to reduce magnetic field integral aberrations while preserving the neutron polarization. Though the design for large angle neutron scattering has been presented in various places, the design characterization and tuning has not been discussed before. In this report, the tuning procedure will be discussed with both neutron polarization transport and utilization of fluxgate magnetometers. As a tuning procedure, polarized neutrons are sensitive to any local field distortions along all trajectories within the beam, but the process is slow. With fluxgates, the entire region cannot be tested, but very fast and precise measurements can be made in accessible regions of interest. Furthermore, we would like to benchmark the usage of fluxgates as a fast tuning probe compared with polarization measurements made with neutrons.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗