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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Investigation of methanol oxidation on a highly active and stable Pt–Sn electrocatalyst supported on carbon–polyaniline composite for application in a passive direct methanol fuel cell

Highlights: • PtSn/C-PANI performed superior in the MOR compared with a commercial PtRu/C. • Catalytic activity of PtRu/C was highly reduced during the accelerated durability test. • Anode of the PtSn/C-PANI in a passive DMFC lowered methanol crossover by 30%. - Abstract: Polyaniline fiber (PANI) was synthesized and utilized to fabricate a vulcan–polyaniline (C-PANI) composite. Pt/C-PANI and PtSn/C-PANI electro-catalysts with different Pt:Sn atomic ratios were prepared by the impregnation method. These electro-catalysts, along with commercial PtRu/C (Electrochem), were characterized with respect to their structural and electrochemical properties in methanol oxidation reaction (MOR). PtSn(70:30)/C-PANI showed excellent performance in MOR, the obtained maximum current density being about 40% and 50% higher than that for PtRu/C and Pt/C-PANI, respectively. It was also found that the CO tolerance and stability of PtSn(70:30)/C-PANI was considerably higher than that of PtRu/C. Finally, the performance of these two materials was compared in a passive direct methanol fuel cell (DMFC). The DMFC test results demonstrated that the membrane electrode assembly (MEA) prepared using PtSn(70:30)/C-PANI anode catalyst performed more satisfactorily in terms of maximum power density and lower methanol crossover.

36 MATERIALS SCIENCE↗
DOE OSTI2018

MoSe2 nanoflower as the saturable absorber for 1 μm and 2 μm passively Q-switched bulk state laser

Highlights: • We firstly realized MoSe{sub 2} based 1 μm and 2 μm passively Q-switched bulk laser. • The MoSe{sub 2} nanoflower was obtained by a facile hydrothermal reaction. • The 1 μm pulse possessed the shortest pulse width of 446 ns. • The 2 μm pulse possessed the shortest pulse width of 360 ns. - Abstract: Using the MoSe{sub 2} nanoflower prepared via a facile hydrothermal reaction, we firstly realized the 1 μm and 2 μm passively Q-switched bulk state pulse laser, as far as we know. Using the Yb:GdMgB{sub 5}O{sub 10} crystal grown by TSSG method as the gain medium, the 446 ns pulses are yielded at 1062.8 nm with 91.8 mW of output power and 1.222 μJ of pulse energy. Besides, based on Tm:YAP crystal, the 360 ns pulses are yielded at around 1936 nm with 466.3 mW of output power and 3.615 μJ of pulse energy. Our results exhibit this MoSe{sub 2} nanoflower could be a promising broadband saturable absorber for bulk state laser.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Is there a clinical benefit with a smooth compensator design compared with a plunged compensator design for passive scattered protons?

In proton therapy, passive scattered proton plans use compensators to conform the dose to the distal surface of the planning volume. These devices are custom made from acrylic or wax for each treatment field using either a plunge-drilled or smooth-milled compensator design. The purpose of this study was to investigate if there is a clinical benefit of generating passive scattered proton radiation treatment plans with the smooth compensator design. We generated 4 plans with different techniques using the smooth compensators. We chose 5 sites and 5 patients for each site for the range of dosimetric effects to show adequate sample. The plans were compared and evaluated using multicriteria (MCA) plan quality metrics for plan assessment and comparison using the Quality Reports [EMR] technology by Canis Lupus LLC. The average absolute difference for dosimetric metrics from the plunged-depth plan ranged from −4.7 to +3.0 and the average absolute performance results ranged from −6.6% to +3%. The manually edited smooth compensator plan yielded the best dosimetric metric, +3.0, and performance, + 3.0% compared to the plunged-depth plan. It was also superior to the other smooth compensator plans. Our results indicate that there are multiple approaches to achieve plans with smooth compensators similar to the plunged-depth plans. The smooth compensators with manual compensator edits yielded equal or better target coverage and normal tissue (NT) doses compared with the other smooth compensator techniques. Further studies are under investigation to evaluate the robustness of the smooth compensator design.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

Motion correction for passive radiation imaging of small vessels in ship-to-ship inspections

Passive radiation detection remains one of the most acceptable means of ascertaining the presence of illicit nuclear materials. In maritime applications it is most effective against small to moderately sized vessels, where attenuation in the target vessel is of less concern. Unfortunately, imaging methods that can remove source confusion, localize a source, and avoid other systematic detection issues cannot be easily applied in ship-to-ship inspections because relative motion of the vessels blurs the results over many pixels, significantly reducing system sensitivity. This is particularly true for the smaller watercraft, where passive inspections are most valuable. We have developed a combined gamma-ray, stereo visible-light imaging system that addresses this problem. Data from the stereo imager are used to track the relative location and orientation of the target vessel in the field of view of a coded-aperture gamma-ray imager. Using this information, short-exposure gamma-ray images are projected onto the target vessel using simple tomographic back-projection techniques, revealing the location of any sources within the target. Here,the complex autonomous tracking and image reconstruction system runs in real time on a 48-core workstation that deploys with the system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Sensitivity of the simulation of passive neutron emission from UF 6 cylinders to the uncertainties in both 19 F(α,n) energy spectrum and thick target yield of 234 U in UF 6

Interest in safeguards verification measurements using passive thermal neutron counting to assay 235 U content in large 30B UF 6 canisters has grown in recent years. Here, the prohibitively high cost and impracticality of using reference 30B calibration cylinders extensively will likely make accurate simulations of increasing interest. Accuracy of the simulated response will define the confidence in the predicted response and the extent to which simulations can reasonably be relied upon. With 234 U driven 19 F(α, n) reactions being the main neutron source in low enriched UF 6 the uncertainties of the 19 F(α, n) energy spectrum and the thick target yield of 234 U in UF 6 propagate into the uncertainty in the predicted response and represent a major influence of basic nuclear data. Here sensitivity of the simulated total (Singles) and coincidence (Doubles) count rates are assessed for the Passive Neutron Enrichment Meter using six potential 19 F(α, n) neutron energy spectra over a range of enrichments and material distributions. The results indicate that variations in the Singles and Doubles due to simulated (α, n) neutron spectrum are less than 1.5% for this set of simulated neutron spectra, with dependence varying inversely with enrichment. Singles uncertainty is only slightly less than that of the thick target 19 F(α, n) yield corresponding to the primary neutron source, whereas the 19 F(α, n) yield dependence of the Doubles is reduced by the non-negligible 238 U(SF) coincident neutron emissions. Based on available thick target 19 F(α, n) yield estimates the uncertainty is on the order of 5%, establishing this as the main nuclear data limitation when simulating thermal neutron detectors response for 30B UF 6 storage cylinders. Based on these findings, it appears that the measurement and evaluation of the thick target 19 F(α, n) yield for uranium hexafluoride is due.

19F(α,n) neutron spectrum↗
DOE OSTI2012

Polydatin (PD) inhibits IgE-mediated passive cutaneous anaphylaxis in mice by stabilizing mast cells through modulating Ca{sup 2+} mobilization

Mast cells play a key role in the pathogenesis of asthma and are a promising target for therapeutic intervention in asthma. This study investigated the effects of polydatin (PD), a resveratrol glucoside, on mast cell degranulation upon cross-linking of the high-affinity IgE receptors (FcεRI), as well as the anti-allergic activity of PD in vivo. Herein, we demonstrated that PD treatment for 30 min suppressed FcεRI-mediated mast cell degranulation in a dose-dependent manner. Concomitantly, PD significantly decreased FcεRI-mediated Ca{sup 2+} increase in mast cells. The suppressive effects of PD on FcεRI-mediated Ca{sup 2+} increase were largely inhibited by using LaCl{sub 3} to block the Ca{sup 2+} release-activated Ca{sup 2+} channels (CRACs). Furthermore, PD significantly inhibited Ca{sup 2+} entry through CRACs evoked by thapsigargin (TG). Knocking down protein expression of Orai1, the pore-forming subunit of CRACs, significantly decreased PD suppression of FcεRI-induced intracellular Ca{sup 2+} influx and mast cell degranulation. In a mouse model of mast cell-dependent passive cutaneous anaphylaxis (PCA), in vivo PD administration suppressed mast cell degranulation and inhibited anaphylaxis. Taken together, our data indicate that PD stabilizes mast cells by suppressing FcεRI-induced Ca{sup 2+} mobilization mainly through inhibiting Ca{sup 2+} entry via CRACs, thus exerting a protective effect against PCA. -- Highlights: ► Polydatin can prevent the pathogenesis of passive cutaneous anaphylaxis in mice. ► Polydatin stabilizes mast cells by decreasing FcεRI-mediated degranulation. ► Polydatin suppresses Ca{sup 2+} entry through CRAC channels in mast cells.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Spectrum of passive scalars of high molecular diffusivity in turbulent mixing

Abstract We consider the mixing of passive scalars transported in turbulent flow, with a molecular diffusivity that is large compared to the kinematic viscosity of the fluid. This particular case of mixing has not received much attention in experiment or simulation even though the first putative theory, due to Batchelor, Howells & Townsend ( J. Fluid Mech. , vol. 5, 1959, pp. 134–139), is now more than 50 years old. We study the problem using direct numerical simulation of decaying scalar fields in steadily sustained homogeneous turbulence as the Schmidt number (the ratio of the kinematic viscosity of the fluid to the molecular diffusivity of the scalar) is allowed to vary from $1/ 8$ to $1/ 2048$ for two values of the microscale Reynolds number, ${R}_{\lambda } \approx 140$ and $\approx $ 240. The simulations show that the passive scalar spectrum assumes a slope of $- 17/ 3$ in a range of scales, as predicted by the theory, when the Schmidt number is small and the Reynolds number is simultaneously large. The observed agreement between theory and simulation in the prefactor in the spectrum is not perfect. We assess the reasons for this discrepancy by a careful examination of the scalar evolution equation in the light of the assumptions of the theory, and conclude that the finite range of scales resolved in simulations is the main reason. Numerical issues specific to the regime of very low Schmidt numbers are also addressed briefly.

Mechanics↗
DOE OSTI2020

Surface Passivation by Excess Sulfur for Controlled Synthesis of Large, Thin SnS Flakes

Tin sulfide (SnS) is part of the group IV chalcogenides (SnX, GeX; X: S, Se), a family of anisotropic layered materials considered for thin film photovoltaics, optoelectronics, and valleytronics, and predicted narrow bandgap multiferroic materials. Large ultrathin SnS flakes, suitable for a variety of applications, are challenging to synthesize because of the enhanced surface reactivity due to the open layer structure of SnS which gives rise to a competition between lateral and vertical growth. Here we investigate the effects of added sulfur on passivating the surface and modifying the balance between lateral expansion and thickening of SnS flakes in chemical vapor transport from a SnS precursor. In addition, we investigate the growth of SnS flakes and compare the results of synthesis from a pure SnS precursor with growth, in which a slight excess of sulfur is supplied in different ways. Our results demonstrate that small amounts of excess sulfur can profoundly affect the size and thickness distributions of SnS flakes. The largest and thinnest flakes are obtained if (i) traces of sulfur are added and (ii) the sulfur source consists either of small Sx fragments released at high temperatures from the reactor walls, or atomic S supplied by sublimation from SnS 2 . The likely mechanism for the observed growth modifications is a transient surface passivation of SnS flakes during growth, which reduces the reactivity of the top facet of the flakes, limits vertical growth, and thus gives rise to ensembles with increased lateral size and reduced thickness.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Variable Surface Termination and Ligand Passivation of Lead Sulfide Nanocrystals Synthesized with Excess Lead Chloride

The surface termination and ligand passivation of semiconducting nanocrystals (NCs) impact the stability, optical properties, and self-assembly of NCs. In this work, we definitively characterize the surface of lead sulfide (PbS) NCs synthesized from excess PbCl 2 . With a combination of small-angle neutron scattering (SANS), photoluminescence, and 1D and 2D NMR experiments, we show that the surface termination of PbS NCs depends on the presence of PbCl 2 during ligand exchange. When excess PbCl 2 is removed prior to ligand exchange, PbS[RNH 3 + Cl – ] NCs are obtained, which are terminated by a monolayer of PbCl x on the {100} PbS facet and passivated by oleylammonium chloride ligands. On the other hand, when excess PbCl 2 remains in solution during ligand exchange, lead oleate forms and attaches to the {111} PbS facets of PbS[RNH 3 + Cl – ] NCs, creating PbS@PbCl x NCs. PbS@PbCl x NCs are coated in an epitaxial layer of PbCl x on both the {100} PbS and {111} PbS facets, making them 0.3–0.4 nm larger on average than PbS[RNH 3 + Cl – ] NCs with identical absorption wavelengths. Additionally, PbS@PbCl x NCs have a consistently higher photoluminescence quantum yield and longer photoluminescence lifetimes than PbS[RNH 3 + Cl – ] NCs. This study clarifies the surface structure of PbS NCs synthesized from excess PbCl 2 , highlighting ligand exchange strategies and reconciling observations from across the literature.

Anions↗
DOE OSTI2016

Tuning the Reversibility of Mg Anodes via Controlled Surface Passivation by H 2 O/Cl – in Organic Electrolytes

Developing a new generation of battery chemistries is a critical challenge to moving beyond current Li-ion technologies. In this work, we introduce a surface-science-based approach for understanding the complex phenomena controlling the reversibility of Mg anodes for Mg-ion batteries. In addition, we identify the profound impact of trace levels of H 2 O (≤3 ppm) on the kinetics of Mg deposition and determine that passive films of MgO and Mg(OH) 2 are formed only after Mg deposition ceases, rather than continuously during Mg reduction. We also find that Cl – inhibits passivation through the formation of adsorbed Cl – (Mg–Cl(ad)) and/or MgCl 2 on the surface, as well as through a dynamic competition with H 2 O in the double layer. In conclusion, this surface-science-based approach goes well beyond Mg anodes, highlighting the need for more in-depth understanding of electrolyte chemistries before a new generation of efficient and reversible battery technologies can be realized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic Membrane

Cellular uptake and export are important steps in the biotransformation of mercury (Hg) by microorganisms. However, the mechanisms of transport across biological membranes remain unclear. Membrane-bound transporters are known to be relevant, but passive permeation may also be involved. Inorganic Hg II and methylmercury ([CH 3 Hg II ] + ) are commonly complexed with thiolate ligands. Here, we have performed extensive molecular dynamics simulations of the passive permeation of Hg II and [CH 3 Hg II ] + complexes with thiolate ligands through a model bacterial cytoplasmic membrane. Here, we find that the differences in free energy between the individual complexes in bulk water and at their most favorable position within the membrane are ~2 kcal mol -1 . We provide a detailed description of the molecular interactions that drive the membrane crossing process. Favorable interactions with carbonyl and tail groups of phospholipids stabilize Hg-containing solutes in the tail–head interface region of the membrane. The calculated permeability coefficients for the neutral compounds CH3S–HgII–SCH3 and CH3HgII–SCH3 are on the order of 10 -5 cm s -1 . Finally, we conclude that small, nonionized Hg-containing species can permeate readily through cytoplasmic membranes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Mercury Uptake by Desulfovibrio desulfuricans ND132: Passive or Active?

Recent studies have identified HgcAB proteins as being responsible for mercury [Hg(II)] methylation by certain anaerobic microorganisms. However, it remains controversial whether microbes take up Hg(II) passively or actively. Here, we examine the dynamics of concurrent Hg(II) adsorption, uptake, and methylation by both viable and inactivated cells (heat-killed or starved) or spheroplasts of the sulfate-reducing bacterium Desulfovibrio desulfuricans ND132 in laboratory incubations. We show that, without addition of thiols, >60% of the added Hg(II) (25 nM) was taken up passively in 48 h by live and inactivated cells and also by cells treated with the proton gradient uncoupler, carbonylcyanide-3-chlorophenylhydrazone (CCCP). Inactivation abolished Hg(II) methylation, but the cells continued taking up Hg(II), likely through competitive binding or ligand exchange of Hg(II) by intracellular proteins or thiol-containing cellular components. Similarly, treatment with CCCP impaired the ability of spheroplasts to methylate Hg(II) but did not stop Hg(II) uptake. Spheroplasts showed a greater capacity to adsorb Hg(II) than whole cells, and the level of cytoplasmic membrane-bound Hg(II) correlated well with MeHg production, as Hg(II) methylation is associated with cytoplasmic HgcAB. Our results indicate that active metabolism is not required for cellular Hg(II) uptake, thereby providing an improved understanding of Hg(II) bioavailability for methylation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Giant Light-Emission Enhancement in Lead Halide Perovskites by Surface Oxygen Passivation

Surface condition plays an important role in the optical performance of semiconductor materials. As new types of semiconductors, the emerging metal-halide perovskites are promising for next-generation optoelectronic devices. We discover significantly improved light-emission efficiencies in lead halide perovskites due to surface oxygen passivation. The enhancement manifests close to 3 orders of magnitude as the perovskite dimensions decrease to the nanoscale, improving external quantum efficiencies from <0.02% to over 12%. Along with about a 4-fold increase in spontaneous carrier recombination lifetimes, we show that oxygen exposure enhances light emission by reducing the nonradiative recombination channel. Supported by X-ray surface characterization and theoretical modeling, we propose that excess lead atoms on the perovskite surface create deep-level trap states that can be passivated by oxygen adsorption.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Minimizing Polysulfide Shuttle Effect in Lithium-Ion Sulfur Batteries by Anode Surface Passivation

Lithium-ion sulfur batteries use non-metal materials as the anode to address safety concerns associated with lithium metal anode. However, polysulfide shuttle reactions still occur on the non-metal anode (such as graphite and Si), and result in limited battery efficiency. In this work, we used Al2O3 layers coated by atomic layer deposition (ALD) technique to suppress the shuttle reactions. With the optimal thickness of 2 nm Al2O3 coated on graphite anode, the Coulombic efficiency of the sulfur cathode was improved from 84% to 96% in the first cycle, and from 94% to 97% in the subsequent cycles. As a result, the discharge capacity of the sulfur cathode was increased to 550 mAh g-1 in the 100th cycle, as compared with 440 mAh g-1 when the pristine graphite anode was used. The Al2O3 passivation layer minimizes the formation of insoluble polysulfide (Li2S2, Li2S) on the surface of graphite anode and improves the efficiency and capacity retention of the graphite-sulfur batteries. The surface passivation strategy could also be used in other Li sulfur battery systems (with Li, Si, and Sn anodes), to minimize side reactions and enable high-performance and safe sulfur batteries.

Liu, Jian↗
DOE OSTI2018

Passive Antifrosting Surfaces Using Microscopic Ice Patterns

Despite exceptional recent advances in tailoring the wettability of surfaces, to date, no engineered surface can passively suppress the in-plane growth of frost that invariably occurs in humid, subfreezing environments. Here, we show that up to 90% of a surface can exhibit passive antifrosting by using chemical or physical wettability patterns to template “ice stripes” across the surface. As ice exhibits a depressed vapor pressure relative to liquid water, these sacrificial ice stripes siphon the supersaturated water vapor to keep the intermediate surface areas dry from dew and frost. Further, we show that when these sacrificial ice stripes are elevated atop microfins, they diffusively coarsen in a suspended state above the surface. As a result, the suspended state of the coarsening ice results in a diffusive growth rate an order of magnitude slower than frost coarsening directly on a solid substrate and should also minimize its adhesive strength to the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Daylight-Mediated, Passive, and Sustained Release of the Glaucoma Drug Timolol from a Contact Lens

Timolol, a potent inhibitor of β-adrenergic receptors (βARs), is a first-line drug for decreasing the intraocular pressure (IOP) of patients with glaucoma. Timolol is administered using 0.5% eye-drop solutions at >3 × 10 7 times the inhibitory concentration ( k i ) for βARs. This high dose is wasteful and triggers off-target effects that increase medication noncompliance. Here, we introduce contact lenses that release timolol to the eye throughout the day during passive exposures to natural daylight at a more therapeutically relevant concentration (>3000 k i ). Timolol is coupled to the polymer of the contact lens via a photocleavable caged cross-linker and is released exclusively to the surrounding fluid after the 400-430 nm mediated cleavage of the cross-linking group. Studies conducted in a preclinical mouse model of glaucoma show photoreleased timolol is effective as authentic timolol in reducing IOP. Our studies highlight several advantages of daylight-mediated release of timolol from lenses compared to eye-drops. First, fitted contact lenses exposed to natural daylight release sufficient timolol to sustain the inhibition of βARs over a 10 h period. Second, the contact lenses inhibit βARs in the eye using only 5.7% of the timolol within a single eye-drop. Third, the lenses allow the patient to passively control the amount of timolol released from the lens-for example, early morning exposure to outdoor sunlight would release enough timolol to maximally reduce the IOP, whereas subsequent periodic exposures to indoor daylight would release sufficient timolol to overcome the effects of its spontaneous dissociation from βARs. Fourth, our lenses are disposable, designed for single day use, and manufactured at a low cost.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Dual Passivation of Cathode and Anode through Electrode–Electrolyte Interface Engineering Enables Long-Lifespan Li Metal–SPAN Batteries

The reliability and durability of lithium metal (Li 0 )–sulfur batteries are largely limited by the undesired Li 0 plating-stripping irreversibility and the detrimental polysulfide dissolution, yet approaches that can simultaneously address the above anodic and cathodic problems are scarce. In this study, we report the stable operation of a Li 0 -SPAN (sulfurized polyacrylonitrile) battery via an anode–cathode dual-passivation approach. By combination of a fluorinated localized high concentration electrolyte (LHCE) and a Li 3 N-forming additive (TMS-N 3 ), robust and highly conductive electrode passivation layers are formed in situ on the surface of both the Li 0 anode and the SPAN cathode. The resulting highly reversible, dendrite-free, and high-density Li 0 plating morphology enables a high Coulombic efficiency of 99.4%. Advanced tender energy X-ray spectroscopy also reveals the eliminated Li 2 S formation and minimized polysulfide dissolution in SPAN cathodes, leading to a high capacity of 580 mAh/g SPAN and stable cycling with negligible capacity decay (0.7%) for 800 cycles. This electrode–electrolyte interphase engineering strategy has tackled the major limitations of Li–S batteries in both ether- and carbonate-based electrolyte systems and under a wide temperature range from –10 to +50 °C, thus providing insightful guidelines for the rational design of highly durable and high-energy-density Li 0 -S batteries.

25 ENERGY STORAGE↗
DOE OSTI2026

Quantification of Shallow Defect Suppression in Aminosilane-Passivated Lead Halide Perovskites via Optical and Electrochemical Methods

We combine fluence-dependent photoluminescence (PL) and electrochemical characterization to estimate defect-dependent trapping rates, energetic distributions, and densities of defects, in lead halide perovskite films Cs 0.1 FA 0.9 PbI 3 and Cs 0.17 FA 0.83 Pb­(I 0.75 Br 0.25 ) 3 , before and after trap passivation with vapor-deposited (3-aminopropyl)­trimethoxysilane (APTMS). For both compositions, the PL studies show that energetically shallow subgap near-valence defect densities lead to bimolecular nonradiative recombination which is reduced by 92% after APTMS treatment. Electrochemical characterization of these same active layers shows for the first time that APTMS passivation impacts mainly on near-valence (mobile anionic) defects that decrease in density by 4 orders of magnitude, from 10 18 cm –3 to 10 14 cm –3 , as a result of silane modification. Here, the combination of PL and electrochemical characterization promises a unique approach to speciation and quantification of a broader distribution of trap states in perovskites and provides straightforward assessments of the efficacy of defect mitigation strategies.

Defects↗