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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Optimizing I/O Forwarding Techniques for Extreme-Scale Event Tracing

Programming development tools are a vital com- ponent for understanding the behavior of parallel applica- tions. Event tracing is a principal ingredient to these tools, but new and serious challenges place event tracing at risk on extreme-scale machines. As the quantity of captured events increases with concurrency, the additional data can over- load the parallel file system and perturb the application be- ing observed. In this work we present a solution for event tracing on extreme-scale machines. We enhance an I/O for- warding software layer to aggregate and reorganize log data prior to writing to the storage system, significantly reduc- ing the burden on the underlying file system. Furthermore, we introduce a sophisticated write buffering capability to limit the impact. To validate the approach, we employ the Vampir tracing toolset using these new capabilities. Our re- sults demonstrate that the approach increases the maximum traced application size by a factor of 5x to more than 200,000 processes.

atomic append↗
DOE OSTI2021

Effect of Cu on the passivity of Ti–xCu (x = 0, 3 and 5 wt%) alloy in phosphate-buffered saline solution within the framework of PDM-II

The effect of copper content on the passivity of Ti–xCu alloys in a phosphate-buffered saline electrolyte (pH 7.4), in the steady-state condition, was examined using potentiostatic polarization, electrochemical impedance spectroscopy, and Mott-Schottky analysis. The study demonstrates that the oxide layer forms on the Ti–xCu alloys surface have n-type semiconducting character, and the steady-state thickness of the oxide layer is observed linearly and depends on the applied potential. The study observations are in line with the predictions of the Point Defect Model (PDM-II), which provides a physiochemically realistic description of the oxide layer formation on Ti–xCu alloys. The observations reveal that the Cu additions result in a decrease in the charge transfer resistance and capacitances associated with the hydroxide and barrier layer, an increase in the donor density, and reduce the electrochemical resistance of the Ti–xCu alloys. The study also exhibits that the decrease in the steady-state current density after the initial addition of 3 wt% of Cu is attributed to the progressive substitution of copper on the cation sublattice of the film resulting in enhanced electrostatic interaction between the immobilized copper $Cu^{x'}_{Ti}$, and the mobile cation interstitials $Cu^{+}_{i}$, which carries the excess current over and that conveyed by oxygen vacancies $V^{••}_o$ in the barrier layer. Moreover, it is also observed that over a hundred-year implant period, about 0.006 cm (0.06 mm) of Ti–3Cu alloy is predicted to lose due to steady-state corrosion in the PBS solution under the given set of conditions, it is further seen that, as the Cu amount increased from 3 wt% to 5 wt% in the Ti–xCu alloys, the steady-state corrosion rate decreases.

Electrochemical Impedance Spectroscopy↗
NASA NTRS2002

A Sublimation Model for the Martian Polar Swiss-Cheese Features. Observational and Modeling Studies of the South Polar Residual Cap

In their pioneering work Leighton and Murray argued that the Mars atmosphere, which is 95 percent CO2 today, is controlled by vapor equilibrium with a much larger polar reservoir of solid CO2. Here we argue that the polar reservoir is small and cannot function as a long-term buffer to the more massive atmosphere. Our work is based on modeling the circular depressions (Swiss-cheese features) in the south polar cap. We argue that a solid CO2 layer approximately 8 meters thick is being etched away to reveal water ice underneath. Preliminary results from the THEMIS (Thermal Emission Imaging System) instrument seem to confirm our model.

Byrne, Shane↗
NASA NTRS1993

Multigrid methods for flow transition in three-dimensional boundary layers with surface roughness

The efficient multilevel adaptive method has been successfully applied to perform direct numerical simulations (DNS) of flow transition in 3-D channels and 3-D boundary layers with 2-D and 3-D isolated and distributed roughness in a curvilinear coordinate system. A fourth-order finite difference technique on stretched and staggered grids, a fully-implicit time marching scheme, a semi-coarsening multigrid method associated with line distributive relaxation scheme, and an improved outflow boundary-condition treatment, which needs only a very short buffer domain to damp all order-one wave reflections, are developed. These approaches make the multigrid DNS code very accurate and efficient. This allows us not only to be able to do spatial DNS for the 3-D channel and flat plate at low computational costs, but also to do spatial DNS for transition in the 3-D boundary layer with 3-D single and multiple roughness elements, which would have extremely high computational costs with conventional methods. Numerical results show good agreement with the linear stability theory, the secondary instability theory, and a number of laboratory experiments. The contribution of isolated and distributed roughness to transition is analyzed.

Liu, Chaoqun↗
DOE OSTI2014

Large area graphene ion sensitive field effect transistors with tantalum pentoxide sensing layers for pH measurement at the Nernstian limit

We have fabricated and characterized large area graphene ion sensitive field effect transistors (ISFETs) with tantalum pentoxide sensing layers and demonstrated pH sensitivities approaching the Nernstian limit. Low temperature atomic layer deposition was used to deposit tantalum pentoxide atop large area graphene ISFETs. The charge neutrality point of graphene, inferred from quantum capacitance or channel conductance, was used to monitor surface potential in the presence of an electrolyte with varying pH. Bare graphene ISFETs exhibit negligible response, while graphene ISFETs with tantalum pentoxide sensing layers show increased sensitivity reaching up to 55 mV/pH over pH 3 through pH 8. Applying the Bergveld model, which accounts for site binding and a Guoy-Chapman-Stern picture of the surface-electrolyte interface, the increased pH sensitivity can be attributed to an increased buffer capacity reaching up to 10{sup 14} sites/cm{sup 2}. ISFET response was found to be stable to better than 0.05 pH units over the course of two weeks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Pulsed laser deposition of single layer, hexagonal boron nitride (white graphene, h-BN) on fiber-oriented Ag(111)/SrTiO{sub 3}(001)

We report on the growth of 1–10 ML films of hexagonal boron nitride (h-BN), also known as white graphene, on fiber-oriented Ag buffer films on SrTiO{sub 3}(001) by pulsed laser deposition. The Ag buffer films of 40 nm thickness were used as substitutes for expensive single crystal metallic substrates. In-situ, reflection high-energy electron diffraction was used to monitor the surface structure of the Ag films and to observe the formation of the characteristic h-BN diffraction pattern. Further evidence of the growth of h-BN was provided by attenuated total reflectance spectroscopy, which showed the characteristic h-BN peaks at ∼780 cm{sup −1} and 1367.4 cm{sup −1}. Ex-situ photoelectron spectroscopy showed that the surface of the h-BN films is stoichiometric. The physical structure of the films was confirmed by scanning electron microscopy. The h-BN films grew as large, sub-millimeter sheets with nano- and micro-sheets scattered on the surface. The h-BN sheets can be exfoliated by the micromechanical adhesive tape method. Spectral analysis was performed by energy dispersive spectroscopy in order to identify the h-BN sheets after exfoliation. The use of thin film Ag allows for reduced use of Ag and makes it possible to adjust the surface morphology of the thin film prior to h-BN growth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

InP-based type-I quantum well lasers up to 2.9 μm at 230 K in pulsed mode on a metamorphic buffer

This work reports on up to 2.9 μm lasing at 230 K of InP-based type-I quantum well lasers. This record long wavelength lasing is achieved by applying InP-based Sb-free structures with eight periods of strain-compensated InAs quantum wells grown on metamorphic In{sub 0.8}Al{sub 0.2}As template layers. The continuous-wave threshold current density is 797 A/cm{sup 2} and the idealized extrapolated threshold current density for infinite cavity length is as low as 58 A/cm{sup 2} per quantum well at 120 K. This scheme is a promising pathway for extending the wavelength range of type-I quantum well lasers on InP substrates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2000

Stennis Space Center Environmental Geographic Information System

As NASA's lead center for rocket propulsion testing, the John C. Stennis Space Center (SSC) monitors and assesses the off-site impacts of such testing through its Environmental Office (SSC-EO) using acoustical models and ancillary data. The SSC-EO has developed a geographical database, called the SSC Environmental Geographic Information System (SSC-EGIS), that covers an eight-county area bordering the NASA facility. Through the SSC-EGIS, the Enivronmental Office inventories, assesses, and manages the nearly 139,000 acres that comprise Stennis Space Center and its surrounding acoustical buffer zone. The SSC-EGIS contains in-house data as well as a wide range of data obtained from outside sources, including private agencies and local, county, state, and U.S. government agencies. The database comprises cadastral/geodetic, hydrology, infrastructure, geo-political, physical geography, and socio-economic vector and raster layers. The imagery contained in the database is varied, including low-resolution imagery, such as Landsat TM and SPOT; high-resolution imagery, such as IKONOS and AVIRIS; and aerial photographs. The SSC-EGIS has been an integral part of several major projects and the model upon which similar EGIS's will be developed for other NASA facilities. The Corps of Engineers utilized the SSC-EGIS in a plan to establish wetland mitigation sites within the SSC buffer zone. Mississippi State University employed the SSC-EGIS in a preliminary study to evaluate public access points within the buffer zone. The SSC-EO has also expressly used the SSC-EGIS to assess noise pollution modeling, land management/wetland mitigation assessment, environmental hazards mapping, and protected areas mapping for archaeological sites and for threatened and endangered species habitats. The SSC-EO has several active and planned projects that will also make use of the SSC-EGIS during this and the coming fiscal year.

Lovely, Janette↗
NASA NTRS1988

Implementation of a tactical voice/data network over FDDI

An asynchronous high-speed fiber-optic local-area network is described that simultaneously supports packet data traffic with synchronous TI voice traffic over a standard asynchronous FDDI (fiber distributed data interface) token-ring channel. A voice interface module was developed that parses, buffers, and resynchronizes the voice data to the packet network. The technique is general, however, and can be applied to any deterministic class of networks, including multitier backbones. In addition, the higher layer packet data protocols may operate independently of those for the voice, thereby permitting great flexibility in reconfiguring the network. Voice call setup and switching functions are performed external to the network with PABX equipment.

Bergman, L. A.↗
DOE OSTI2018

High quality large scale single and multilayer graphene production by chemical vapor deposition

Systems and methods for synthesizing continuous graphene sheets are provided. The systems and methods include passing a catalyst substrate through a heated chemical vapor deposition chamber and exposing the substrate to a reaction gas mixture of hydrogen and hydrocarbon at a preselected location within the chamber. The reaction gas mixture can include hydrogen having a partial pressure of between about 0 Torr and 20 Torr, hydrocarbon having a partial pressure of between about 20 mTorr and about 10 Torr, and one or more buffer gases. The buffer gases can include argon or other noble gases to maintain atmospheric pressure within the chemical deposition chamber. The resulting graphene can be made with continuous mono and multilayers (up to six layers) and have single crystalline hexagonal grains with a preselected nucleation density and domain size for a range of applications.

Vlassiouk, Ivan V.↗
DOE OSTI2016

Broadband light sources based on InAs/InGaAs metamorphic quantum dots

We propose a design for a semiconductor structure emitting broadband light in the infrared, based on InAs quantum dots (QDs) embedded into a metamorphic step-graded In{sub x}Ga{sub 1−x}As buffer. We developed a model to calculate the metamorphic QD energy levels based on the realistic QD parameters and on the strain-dependent material properties; we validated the results of simulations by comparison with the experimental values. On this basis, we designed a p-i-n heterostructure with a graded index profile toward the realization of an electrically pumped guided wave device. This has been done by adding layers where QDs are embedded in In{sub x}Al{sub y}Ga{sub 1−x−y}As layers, to obtain a symmetric structure from a band profile point of view. To assess the room temperature electro-luminescence emission spectrum under realistic electrical injection conditions, we performed device-level simulations based on a coupled drift-diffusion and QD rate equation model. On the basis of the device simulation results, we conclude that the present proposal is a viable option to realize broadband light-emitting devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Stable Pentagonal Layered Palladium Diselenide Enables Rapid Electrosynthesis of Hydrogen Peroxide

Electrosynthesis of hydrogen peroxide (H 2 O 2 ) via the two-electron oxygen reduction reaction (2e – ORR) is promising for various practical applications, such as wastewater treatment. However, few electrocatalysts are active and selective for 2e – ORR yet are also resistant to catalyst leaching under realistic operating conditions. Here, a joint experimental and computational study reveals active and stable 2e – ORR catalysis in neutral media over layered PdSe 2 with a unique pentagonal puckered ring structure type. Computations predict active and selective 2e – ORR on the basal plane and edge of PdSe 2 , but with distinct kinetic behaviors. Further, electrochemical measurements of hydrothermally synthesized PdSe 2 nanoplates show a higher 2e – ORR activity than other Pd–Se compounds (Pd 4 Se and Pd 17 Se 15 ). PdSe 2 on a gas diffusion electrode can rapidly accumulate H 2 O 2 in buffered neutral solution under a high current density. The electrochemical stability of PdSe 2 is further confirmed by long device operational stability, elemental analysis of the catalyst and electrolyte, and synchrotron X-ray absorption spectroscopy. This work establishes a new efficient and stable 2e – ORR catalyst at practical current densities and opens catalyst designs utilizing the unique layered pentagonal structure motif.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

CONSTRAINED EVOLUTION OF A RADIALLY MAGNETIZED PROTOPLANETARY DISK: IMPLICATIONS FOR PLANETARY MIGRATION

We consider the inner ∼1 AU of a protoplanetary disk (PPD) at a stage where angular momentum transport is driven by the mixing of a radial magnetic field into the disk from a T Tauri wind. Because the radial profile of the imposed magnetic field is well constrained, a constrained calculation of the disk mass flow becomes possible. The vertical disk profiles obtained in Paper I imply a stronger magnetization in the inner disk, faster accretion, and a secular depletion of the disk material. Inward transport of solids allows the disk to maintain a broad optical absorption layer even when the grain abundance becomes too small to suppress its ionization. Thus, a PPD may show a strong mid- to near-infrared spectral excess even while its mass profile departs radically from the minimum-mass solar nebula. The disk surface density is buffered at ∼30 g cm{sup −2}; below this, X-rays trigger magnetorotational turbulence at the midplane strong enough to loft millimeter- to centimeter-sized particles high in the disk, followed by catastrophic fragmentation. A sharp density gradient bounds the inner depleted disk and propagates outward to ∼1–2 AU over a few megayears. Earth-mass planets migrate through the inner disk over a similar timescale, whereas the migration of Jupiters is limited by the supply of gas. Gas-mediated migration must stall outside 0.04 AU, where silicates are sublimated and the disk shifts to a much lower column. A transition disk emerges when the dust/gas ratio in the MRI-active layer falls below X{sub d} ∼ 10{sup −6} (a{sub d}/μm), where a{sub d} is the grain size.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Novel Chalcopyrites for Advanced Photoelectrochemical Water Splitting

With the support of DoE’s EERE office, our team has established a unique tool-chest of capabilities, including theoretical modeling (Lawrence Livermore National Laboratory: LLNL), state-of-the-art synthesis (Hawaii Natural Energy Institute: HNEI, Stanford, and the National Renewable Energy Laboratory: NREL) and advanced materials and interfaces characterization (University of Nevada, Las Vegas: UNLV, and Lawrence Berkeley National Laboratory: LBNL), to accelerate the development of high efficiency and durable chalcopyrite materials for advanced photoelectrochemical (PEC) water splitting. Using this synergistic approach, we have successfully created new wide bandgap chalcopyrite photocathodes generating over 10 mA/cm 2 , developed innovative strategies to protect them from corrosion, and engineered novel integration methods to circumvent thin film materials mechanical, chemical and thermal incompatibility. In Task 1 “Modeling and synthesis of chalcopyrite photocathodes”, we expanded our library of wide bandgap chalcopyrites for PEC water splitting. With support from LLNL’s “Computational Materials Diagnostics and Optimization of PEC Devices”, LBNL’s “photophysical” and NREL’s “I-III-VI Compound Semiconductors for Water-Splitting” nodes, we investigated two new chalcopyrite candidates for PEC water splitting: Cu(In,Al)Se 2 and Cu(In,B)Se 2 . We also further developed ordered vacancy compounds, such as CuGa 3 Se 5 , with unprecedented durability during PEC waters splitting in acidic solutions. In Task 2 “Interfaces engineering for enhanced efficiency and durability”, we addressed both the non-ideal band-edge positions of chalcopyrites with respect to water redox potentials, as well as their chemical instability under PEC water splitting, with a buried-junctions approach. With help from NREL’s “High-Throughput Experimental Thin Film Combinatorial Capabilities” and “Corrosion Analysis of Materials” nodes, we engineered environmentally friendly n-type buffers, including Mn x Zn 1-x O, to adjust the chalcopyrite band-edge positions and achieved photovoltages as high as 925 mV. Also, we integrated non-precious catalytic-protecting layers, such as WO 3 , to enhance the water splitting long-term stability of chalcopyrite absorbers. Finally, in Task 3 “Hybrid photoelectrode device integration”, we proposed an innovative method to bond wide bandgap photocathodes onto narrow bandgap PV drivers at room temperature using conductive polymers. Our semi-monolithic approach addressed fundamental processing incompatibility issues, as both the photocathode and the PV driver are processed separately. Proof-of-concept whole-chalcopyrite tandems were obtained by consecutive exfoliation and transfer of fully integrated 1.85 eV CuGa 3 Se 5 and 1.13 eV CuInGaSe 2 stacks from their Mo/SLG substrates onto a new single FTO host substrate.

08 HYDROGEN↗
DOE OSTI2018

Chemical Sensor Development and Antibacterial Activities Based on Polyaniline/Gemini Surfactants for Environmental Safety

The polyaniline doped novel anionic gemini surfactant (PANI/GS) was chemically synthesized by a micellar polymerization process and then characterized in details by X-ray powder diffractometry, scanning electron microscopy, and FTIR spectroscopy. The results show the presence of polyaniline in the emeraldine base was formed by doping with gemini surfactant. The thermal properties of the composites were studied by carrying out thermal gravimetric analysis. The PANI/GS were found to be soluble in common organic solvents such as chloroform as well as DMSO. The antibacterial activity of the obtained PANI/GS was also evaluated against Gram positive bacteria Bacillus subtilis, Gram negative bacteria Escherichia coli and antibiotics (Amoxicillin) using the agar plate. The antibacterial study showed that the PANI/GS was found to be most effective against both B. subtilis and E. coli respectively which was significant compared to the amoxicillin. Beside that thin-layer of PANI/GS onto glassy carbon electrode (GCE) was fabricated with conducting 5% nafion coating agents to fabricate a sensitive and selective Cd{sup 2+} ionsic sensor in short response time into the phosphate buffer phase. The fabricated cationic-sensor was exhibited higher sensitivity, large-dynamic concentration ranges, long-term stability, and improved electrochemical performances towards Cd{sup 2+} ions. The calibration plot is linear (r{sup 2}, 0.9799) over the large Cd{sup 2+} concentration ranges (10.0 nM–1.0 mM). The sensitivity and detection limit is calculated as 2.324 µA µM{sup −1}cm{sup −2} and 6.85 nM (signal-to-noise ratio, at a SNR of 3) respectively. These novel efforts are intiated a well-known method for significant cationic sensor development with directly fabricated nanocomposite onto GCE for the detection of hazardous toxins in ecological and environmental fields in huge scales. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

All-in-One Derivatized Tandem p + n-Silicon–SnO 2 /TiO 2 Water Splitting Photoelectrochemical Cell

Mesoporous metal oxide film electrodes consisting of derivatized 5.5 μm thick SnO 2 films with an outer 4.3 nm shell of TiO 2 added by atomic layer deposition (ALD) have been investigated to explore unbiased water splitting on p, n, and p + n type silicon substrates. Modified electrodes were derivatized by addition of the water oxidation catalyst, [Ru(bda)(4-O(CH 2 ) 3 PO 3 H 2 )-pyr) 2 ], 1, (pyr = pyridine; bda = 2,2'-bipyridine-6,6'-dicarboxylate), and chromophore, [Ru(4,4'-PO 3 H 2 -bpy) (bpy) 2 ] 2+ , RuP2+, (bpy = 2,2'-bipyridine), which form 2:1 RuP 2+ /1 assemblies on the surface. At pH 5.7 in 0.1 M acetate buffer, these electrodes with a fluorine-doped tin oxide (FTO) back contact under ~1 sun illumination (100 mW/cm 2 ; white light source) perform efficient water oxidation with a photocurrent of 1.5 mA/cm2 with an 88% Faradaic efficiency (FE) for O 2 production at an applied bias of 600 mV versus RHE ( ACS Energy Lett., 2016, 1, 231-236). The SnO 2 /TiO 2 –chromophore–catalyst assembly was integrated with the Si electrodes by a thin layer of titanium followed by an amorphous TiO 2 (Ti/a-TiO 2 ) coating as an interconnect. In the integrated electrode, p + n-Si–Ti/a-TiO 2 –SnO2/TiO 2 |-2RuP 2+ /1, the p+n-Si junction provided about 350 mV in added potential to the half cell. In photolysis experiments at pH 5.7 in 0.1 M acetate buffer, bias-free photocurrents approaching 100 μA/cm 2 were obtained for water splitting, 2H 2 O → 2H 2 + O 2 . The FE for water oxidation was 79% with a hydrogen efficiency of ~100% at the Pt cathode.

14 SOLAR ENERGY↗
DOE OSTI2020

Electrolyte-phobic Surface for the Next-Generation Nanostructured Battery Electrodes

Nanostructured electrodes are among the most important candidates rationally designed to enable high capacity battery chemistry. Nanostructures can solve issues such as the volume change and mechanical fragmentations. However, the high surface area they usually possess would decrease the Coulombic efficiencies, since the side chemical reactions scale with surface area. Moreover, electrodes comprised of nanomaterials have significant intakes of liquid electrolytes, which reduces the overall energy density and increases the cost of the battery. Here we present a new strategy of limiting effective surface area by introducing an “electrolyte-phobic surface”. In this study, a porous Si anode functions as a model material to demonstrate this concept. Silicon boasts high theoretical capacity, but experiences large volume change during its lithiation and delithiation processes. Porous Si can address this volume change problem with the buffer effect of its inner pores. However, porous silicon shows low initial Coulombic efficiencies and high irreversible lithium loss, owing to its intrinsic high surface area. In this report, a covalently linked perfluorinated surface coating layer on porous Si particles serves as an electrolyte-phobic protection layer, minimizing the accessible surface area for the electrolytes, decreasing the side reactions between the electrolyte and Si surface, and thus significantly enhancing the initial Coulombic efficiencies, up to ~88% compared to ~60% for the pristine porous silicon. Meanwhile, the electrolyte-phobic protection layer of Si particles keeps the silicon surface compatible with the conventional polyvinylidene fluoride (PVDF) binder, which helps to stabilize the Si electrode for long-term battery cycling.

Qian, Chenxi↗
DOE OSTI2015

Non-destructive assessment of the polarity of GaN nanowire ensembles using low-energy electron diffraction and x-ray photoelectron diffraction

We investigate GaN nanowire ensembles spontaneously formed in plasma-assisted molecular beam epitaxy by non-destructive low-energy electron diffraction (LEED) and x-ray photoelectron diffraction (XPD). We show that GaN nanowire ensembles prepared on AlN-buffered 6H-SiC(0001{sup ¯}) substrates with well-defined N polarity exhibit similar LEED intensity-voltage curves and angular distribution of photo-emitted electrons as N-polar free-standing GaN layers. Therefore, as in the case of GaN layers, LEED and XPD are found to be suitable techniques to assess the polarity of GaN nanowire ensembles on a macroscopic scale. The analysis of GaN nanowire ensembles prepared on bare Si(111) allows us to conclude that, on this non-polar substrate, the majority of nanowires is also N-polar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗