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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Surfactant assisted growth of MgO films on GaN

Thin epitaxial films of <111> oriented MgO on [0001]-oriented GaN were grown by molecular beam epitaxy and pulsed laser deposition using the assistance of a vapor phase surfactant. In both cases, surfactant incorporation enabled layer-by-layer growth and a smooth terminal surface by stabilizing the {l_brace}111{r_brace} rocksalt facet. Metal-insulator-semiconductor capacitor structures were fabricated on n-type GaN. A comparison of leakage current density for conventional and surfactant-assisted growth reveals a nearly 100 Multiplication-Sign reduction in leakage current density for the surfactant-assisted samples. These data verify numerous predictions regarding the role of H-termination in regulating the habit of rocksalt crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Experimental investigation of defect-assisted and intrinsic water vapor permeation through ultrabarrier films

In the development of ultrabarrier films for packaging electronics, the effective water vapor transmission rate is a combination of permeation through pinhole defects and the intrinsic permeation through the actual barrier film. While it is possible to measure the effective permeation rate through barriers, it is important to develop a better understanding of the contribution from defects to the overall effective barrier performance. Here, we demonstrate a method to investigate independently defect-assisted permeation and intrinsic permeation rates by observing the degradation of a calcium layer encapsulated with a hybrid barrier film, that is, prepared using atomic layer deposition (ALD) and plasma enhanced deposition (PECVD). The results are rationalized using an analytical diffusion model to calculate the permeation rate as a function of spatial position within the barrier. It was observed that a barrier film consisting of a PECVD SiN{sub x} layer combined with an ALD Al{sub 2}O{sub 3}/HfO{sub x} nanolaminate resulted in a defect-assisted water vapor transmission rate (WVTR) of 4.84 × 10{sup −5} g/m{sup 2} day and intrinsic WVTR of 1.41 × 10{sup −4} g/m{sup 2} day at 50 °C/85% RH. Due to the low defect density of the tested barrier film, the defect-assisted WVTR was found to be three times lower than the intrinsic WVTR, and an effective (or total) WVTR value was 1.89 × 10{sup −4} g/m{sup 2} day. Thus, improvements of the barrier performance should focus on reducing the number of defects while also improving the intrinsic barrier performance of the hybrid layer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Low-Temperature Plasma Assisted Kinetics Study of Ethanol

Non-equilibrium plasma assisted kinetics of ethanol at 0.5 atm over a temperature range of 523-1203 K were studied at stoichiometric conditions by using a plasma flow reactor (PFR). The effects of plasma chemistry on fuel and its influence on neutral chemistry is decoupled with both experimental and modelling efforts. Enhanced reactivity was observed experimentally in both plasma-assisted oxidation and pyrolysis cases with fuel consumption beginning at temperatures as low as 523 K. Absolute fuel consumption was observed at temperatures nearly 200 K earlier than pure thermal reactions highlighting the effectiveness of non-equilibrium plasma to promote reactivity. Furthermore, modelling results illustrated the effect of electron impact reactions towards accelerating fuel consumption and promoting low temperature chemistry by generating excited state N2 and reactive O and OH radicals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2012

Aero-Assisted Pre-Stage for Ballistic and Aero-Assisted Launch Vehicles

A concept of an aero-assisted pre-stage is proposed, which enables launch of both ballistic and aero-assisted launch vehicles from conventional runways. The pre-stage can be implemented as a delta-wing with a suitable undercarriage, which is mated with the launch vehicle, so that their flight directions are coaligned. The ample wing area of the pre-stage combined with the thrust of the launch vehicle ensure prompt roll-out and take-off of the stack at airspeeds typical for a conventional jet airliner. The launch vehicle is separated from the pre-stage as soon as safe altitude is achieved, and the desired ascent trajectory is reached. Nominally, the pre-stage is non-powered. As an option, to save the propellant of the launch vehicle, the pre-stage may have its own short-burn propulsion system, whereas the propulsion system of the launch vehicle is activated at the separation point. A general non-dimensional analysis of performance of the pre-stage from roll-out to separation is carried out and applications to existing ballistic launch vehicle and hypothetical aero-assisted vehicles (spaceplanes) are considered.

access to space↗
DOE OSTI2018

Shear Assisted Processing and Extrusion (ShAPE™) of AZ91E Flake: A Study of Tooling Features and Processing Effects

Charges of melt-spun AZ91E flake were indirectly extruded into tubes using Shear Assisted Processing and Extrusion (ShAPE™). The effect of instrument parameters and tool features on densification and microstructural evolution was studied. At a constant extrusion ratio, the tool rotational velocity varied from 75 to 300 rpm and was demonstrated to reduce the forge force by a factor of four. Modification of the extrusion die face with successively more aggressive scrolled features was found to enhance material flow into the extrusion orifice which led to a 30% reduction in spindle torque. Microstructure, texture and hardness are reported for the range of rpm and scroll geometries investigated. It was observed that the ShAPE™ process is able to retain the average grain size of the as-spun flake (2.5-4 μm) while simultaneously imparting strong textural alignment in the resultant tube.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Individual phase constitutive properties of a TRIP-assisted QP980 steel from a combined synchrotron X-ray diffraction and crystal plasticity approach

Microstructure-based constitutive models for multiphase steels require accurate constitutive properties of the individual phases for component forming and performance simulations. We address this requirement with a combined experimental/theoretical methodology which determines the critical resolved shear stresses and hardening parameters of the constituent phases in QP980, a TRIP assisted steel subject to a two-step quenching and partitioning heat treatment. High energy X-Ray diffraction (HEXRD) from a synchrotron source provided the average lattice strains of the ferrite, martensite, and austenite phases from the measured volume during in situ tensile deformation. The HEXRD data was then input to a computationally efficient, elastic-plastic self-consistent (EPSC) crystal plasticity model which estimated the constitutive parameters of different slip systems for the three phases via a trial-and-error approach. The EPSC-estimated parameters are then input to a finite element crystal plasticity (CPFE) model representing the QP980 tensile sample. The predicted lattice strains and global stress versus strain curves are found to be 8% lower that the EPSC model predicted values and from the HEXRD measurements, respectively. This discrepancy, which is attributed to the stiff secant assumption in the EPSC formulation, is resolved with a second step in which CPFE is used to iteratively refine the EPSC-estimated parameters. Remarkably close agreement is obtained between the theoretically-predicted and experimentally derived flow curve for the QP980 material.

Hu, X. H. (ORCID:0000000277355091)↗
DOE OSTI2013

Defect chemistry of phospho-olivine nanoparticles synthesized by a microwave-assisted solvothermal process

Nanocrystalline LiFePO{sub 4} powders synthesized by a microwave-assisted solvothermal (MW-ST) process have been structurally characterized with a combination of high resolution powder neutron diffraction, synchrotron X-ray diffraction, and aberration-corrected HAADF STEM imaging. A significant level of defects has been found in the samples prepared at 255 and 275 °C. These temperatures are significantly higher than what has previously been suggested to be the maximum temperature for defect formation in LiFePO{sub 4}, so the presence of defects is likely related to the rapid MW-ST synthesis involving a short reaction time (∼5 min). A defect model has been tentatively proposed, though it has been shown that powder diffraction data alone cannot conclusively determine the precise defect distribution in LiFePO{sub 4} samples. The model is consistent with other literature reports on nanopowders synthesized at low temperatures, in which the unit cell volume is significantly reduced relative to defect-free, micron-sized LiFePO{sub 4} powders. - Graphical abstract: Temperature-dependent antisite defect formation has been observed in nanocrystalline LiFePO{sub 4} powders synthesized by a microwave solvothermal process, using high resolution diffraction and STEM imaging. Display Omitted - Highlights: • LiFePO{sub 4} nanopowders synthesized by a microwave-assisted solvothermal process. • Defects directly observed by aberration-corrected HAADF STEM imaging. • Antisite defects present from synthesis at 255 and 275 °C. • Defects present from higher temperature synthesis than previously reported. • Powder diffraction data have been analyzed in detail for various defect models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Lithium Assisted “Dissolution–Alloying” Synthesis of Nanoalloys from Individual Bulk Metals

We report new fundamental chemistry involved in the synthesis of bimetallic nanoalloys via dissolving the pure bulk transition metals in molten lithium. It is revealed at the atomic level that when two pure bulk transition metals such as Pd and Pt are placed in molten lithium (similar to 200 degrees C), they undergo a dissolution process in which the metal-metal bonds in pure bulk transition metals are completely ruptured, which results in the existence of individual Pd and Pt atoms surrounded by lithium atoms, as is evident by synchrotron X-ray adsorption techniques. Then, upon the conversion of metal lithium to LiOH in humid air, the Pd and Pt atoms undergo an alloying process to aggregate into nanoalloys. This method was further expanded to include PdZn, which is notoriously difficult to prepare via traditional nanoalloy synthesis methods due to the easily oxidizable Zn component. The constantly reducing environment of metallic Li allowed for preparation of PdZn nanoalloys with minimal Zn oxidation via dissolution-alloying of individual bulk transition metals in molten lithium. Additionally, this lithium assisted "dissolution-alloying" method bypasses many complications intrinsic to conventional ion reduction-based nanoalloy synthesis including the necessity of ligated metal ions, the use of proper reducing agents and dispersing surfactants, and the presence of segregated phases due to different reduction potentials of the constituent metal ions.

alloying↗
DOE OSTI2015

Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic Frameworks with Ultra large Pores

A facile functionalization assisted by the structural attributes of PCN-333 has been studied while maintaining the integrity of the parent MOF including ultralarge pores, chemical robustness, and crystallinity. Herein we thoroughly analyzed ligand exchange phenomena in PCN-333 and demonstrate that the extent of exchange can be tailored by varying the exchange conditions as potential applications may require. Through this method a variety of functional groups are incorporated into PCN-333. To further show the capabilities of this system introduction of a BODIPY fluorophore as a secondary functionality was performed to the functionalized framework via a click reaction. We anticipate the PCN-333 with functional anchor can serve as a stable platform for further chemistry to be explored in future applications

Park, J↗
DOE OSTI2013

Further Theoretical Evidence for Hydrogen-Assisted CO Dissociation on Ru(0001)

Extensive calculations based on spin-polarized density functional theory were carried out to examine how CHx are formed from the dissociation of CO on Ru(0001) in the presence of hydrogen. Common pathways, such as the direct CO dissociation and H-assisted route leading to HCO or COH, including alternative routes that involve the formation of HCOH and CH2O, were examined. The reaction energy and barrier for each elementary step were calculated. The calculations show that the carbide mechanism is not the main reaction pathway for the conversion of CO on Ru(0001). Complementary microkinetic simulations utilizing results from first-principles quantum mechanical calculations indicate that a branch starting from the hydrogenation of CO to HCOH (via COH intermediate) and subsequent C–O bond cleavage is more plausible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗