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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Stress induced enhanced polarization in multilayer BiFeO{sub 3}/BaTiO{sub 3} structure with improved energy storage properties

Present work reports the fabrication of a multilayer (5-layer) structure of BiFeO{sub 3}(BFO)/BaTiO{sub 3}(BTO) using spin-coating technique. The crystallographic structure, surface morphology and ferroelectric behavior of multilayer structure in metal-ferroelectric-metal capacitor have been studied. Le-Bail refinement of X-ray diffraction data revealed the formation of polycrystalline pure perovskite phase with induced stress. The values of remnant (P{sub r}) and saturation polarization (P{sub s}) for BFO/BTO multilayer structure are found to be 38.14 μC/cm{sup 2} and 71.54 μC/cm{sup 2} respectively, which are much higher than the corresponding values reported for bare BFO thin film. A large value of dielectric constant of 187 has been obtained for multilayer structure with a low leakage current density of 1.09 × 10{sup −7} A/cm{sup 2} at applied bias of 10 V. The BFO/BTO multilayer structure favors the enhanced energy storage capacity as compared to bare BFO thin film with improved values of energy-density and charge-discharge efficiency as 121 mJ/cm{sup 3} and 59% respectively, suggesting futuristic energy storage applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Influence of C or In buffer layer on photoluminescence behaviour of ultrathin ZnO film

We study the effect of the indium or carbon buffer layer on the photoluminescence (PL) property of ZnO ultrathin films deposited on a Si(100) substrate. The surface morphology of the films obtained using scanning tunnelling microscopy shows spherical shaped ZnO nanoparticles of size ∼8 nm in ZnO/C/Si and ∼22 nm in ZnO/Si samples, while the ZnO/In/Si sample shows elliptical shaped ZnO particles. Further, the ZnO/C/Si sample shows densely packed ZnO nanoparticles in comparison with other samples. Strong band edge emission has been observed in the presence of In or C buffer layer, whereas the ZnO/Si sample exhibits poor PL emission. The influence of C and In buffer layers on the PL behaviour of ZnO films is studied in detail using temperature dependent PL measurements in the range of 4 K–300 K. The ZnO/C/Si sample exhibits a multi-fold enhancement in the PL emission intensity with well-resolved free and bound exciton emission lines. Our experimental results imply that the ZnO films deposited on the C buffer layer showed higher particle density and better exciton emission desired for optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Orbital orientation mapping of V 2 O 5 thin films

We report the effects of growth methods on the orbital orientation in vanadium pentoxide (V 2 O 5 ) thin films, an important factor to consider when selecting growth techniques for highly selective catalysts and devices. Thermal evaporation and sol-gel methods were used to synthesize the V 2 O 5 films. The surface morphology, roughness, and orientation of the films were characterized by atomic force microscopy and x-ray diffraction. Surface electronic properties and oxidation states were assessed by x-ray photoemission spectroscopy. Polarized x-ray absorption spectroscopy demonstrated that the thermally evaporated film [which was in the (001) orientation] exhibited greater anisotropy than the (100) oriented sol-gel film. The observed increase in anisotropy agrees well with computational findings which revealed that more vanadyl bonds are present at the surface of the thermally evaporated film than at the surface of the sol-gel film. The same computational study also found that the orientation of these bonds is more parallel to the film surface in the thermally evaporated film than in the sol-gel film. Finally, the data suggest that the method of growth may be used as a controlled variable to select key film characteristics for potential applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Influence of substrate temperature on structural and optical properties of RF sputtered ZnMnO thin films

The ZnMnO thin films were deposited on glass substrates by radio frequency magnetron sputtering method. The properties of ZnMnO thin films were investigated by high-resolution x-ray diffractometer (HRXRD),atomic force microscopy (AFM), UV-Vis spectrometer and room temperature photoluminescence (PL), under the influence of substrate temperature. The substrate temperature was varied from 300, 400 and 500°C. With increasing the substrate temperature, the structure of the films changed from cubic to hexagonal. The cubic ZnMnO thin films grown along [210] direction, while the hexagonal ones grown along [002] direction. The changes in surface morphology provided a proof on the structural transition. Also, decrease and increase of optical band gap is associated with cubic or hexagonal structure of the films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of self-organization, defects, impurities, and autocatalytic processes on the parameters of ZnO films and nanorods

The effects of the parameters of ZnO-film deposition onto different substrates using the method of ac magnetron sputtering in a gas mixture of argon and oxygen hare studied. The phenomenon of self-organization is observed, which leads to invariability of the surface morphology of the ZnO films upon a variation in the substrate materials and deposition parameters. The parameters of the macro- and micro-photoluminescence spectra of the films differ insignificantly from the parameters of the photoluminescence spectra of bulk ZnO crystals obtained by the method of hydrothermal growth. The presence of intense emission with a narrow full-width at half-maximum (FWHM) in different regions of the spectrum allows ZnO films obtained by magnetron sputtering doped with rare-earth metal impurities (REIs) to be considered as a promising material for the creation of optoelectronic devices working in a broad spectral range. The possibility of the implementation of magnetic ordering upon legierung with REIs significantly broadens the functional possibilities of ZnO films. The parameters of the photoluminescence spectra of ZnO nanorods are determined by their geometrical parameters and by the concentration and type of the impurities introduced.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigating the RTA Treatment of Ohmic Contacts to n-Layers of Heterobipolar Nanoheterostructures

The preparation of ohmic contacts to heterobipolar nanostructures has a number of characteristic features. In addition to the basic requirement of minimizing contact resistance, contacts to this type of structures have a transition layer whose depth of penetration must not exceed the emitter layer’s thickness, due to the possibility of short-circuiting the emitter base p–n junction. In this work, the effect the main technological parameters of rapid thermal annealing have on a contact’s characteristics are examined, and the process of obtaining a low-resistance ohmic contact to heterobipolar transistor layers is optimized. Ohmic contacts to the n-layers of heterobipolar nanoheterostructures based on gallium arsenide and produced via layer-by-layer electron-beam deposition of Ge/Au/Ni/Au are considered. The diffusion distribution profiles of doping with Ge impurities are calculated as a function of the time and temperature of rapid thermal annealing, and are examined via scanning electron microscopy. It is found that rapid thermal annealing for 60 s at a temperature of 398°C yields ohmic contacts with low resistance, smooth surface morphology, and the minimum size of the transition layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2003

Fabrication of Monolithic Sapphire Membranes for High Tc Bolometer Array Development

This paper examines the effectiveness of Pt/Cr thin film masks for the architecture of monolithic membrane structures in r-plane sapphire. The development of a pinhole-free Pt/Cr composite mask that is resistant to hot H2SO4:H3PO4 etchant, will lead to the fabrication of smooth sapphire membranes whose surfaces are well-suited for the growth of low-noise high Tc films. In particular, the relationship of thermal annealing conditions on the Pt/Cr composite mask system to: (1) changes in the surface morphology and elemental concentration of the Pt/Cr thin film layers and (2) etch pit formation on the sapphire surface will be presented.

Pugel, D. E.↗
NASA NTRS2004

Fabrication of Monolithic Sapphire Membranes for High T(sub c) Bolometer Array Development

This paper examines the effectiveness of Pt/Cr thin film masks for the architecture of monolithic membrane structures in r-plane single crystal sapphire. The development of a pinhole-free Pt/Cr composite mask that is resistant to boiling H2SO4:H3PO4 etchant will lead to the fabrication of smooth sapphire membranes whose surfaces are well-suited for the growth of low-noise high Tc films. In particular, the relationship of thermal annealing conditions on the Pt/Cr composite mask system to: (1) changes in the surface morphology (2) elemental concentration of the Pt/Cr thin film layers and (3) etch pit formation on the sapphire surface will be presented.

Pugel, D. E.↗
NASA NTRS2004

Atomic Force Microscope Observation of Growth and Defects on As-Grown (111) 3C-SiC Mesa Surfaces

This paper presents experimental atomic force microscope (AFM) observations of the surface morphology of as-grown (111) silicon-face 3C-SiC mesa heterofilms. Wide variations in 3C surface step structure are observed as a function of film growth conditions and film defect content. The vast majority of as-grown 3C-SiC surfaces consisted of trains of single bilayer height (0.25 nm) steps. Macrostep formation (i.e., step-bunching) was rarely observed, and then only on mesa heterofilms with extended crystal defects. As supersaturation is lowered by decreasing precursor concentration, terrace nucleation on the top (111) surface becomes suppressed, sometimes enabling the formation of thin 3C-SiC film surfaces completely free of steps. For thicker films, propagation of steps inward from mesa edges is sometimes observed, suggesting that enlarging 3C mesa sidewall facets begin to play an increasingly important role in film growth. The AFM observation of stacking faults (SF's) and 0.25 nm Burgers vector screw component growth spirals on the as-grown surface of defective 3C films is reported.

Neudeck, Philip G.↗
DOE OSTI2016

Behavior of high-burnup advanced LWR fuels under accident conditions

Advanced fuels for LWRs which consist of cladding materials with high corrosion resistance and pellets with lower fission gas release have been developed by utilities and fuel vendors to improve the fuel performance even in the high burnup region and also raise the safety level of current nuclear power plants to a higher one. In order to evaluate the adequacy of present safety criteria and safety margins in terms of such advanced fuels and provide a database for future regulation of them, JAEA has started a new extensive research program called ALPS-II program. The ALPS-II program is primarily composed of tests simulating a RIA (Reactivity Initiated Accident) (VA-5 and -6 tests) and a LOCA (Loss Of Coolant Accident) on high burnup advanced fuels irradiated in commercial PWR or BWRs and started in JFY 2008. Recently, post-test examinations on the fuel rods after the pulse irradiation tests of VA-5 and -6 were performed and the relationship between the failure limits of the high burnup advanced fuels with M-MDA{sup TM} cladding and the morphology of the hydrides precipitated in the cladding during normal operation was investigated. The difference in the crack surface morphology was observed between tests VA-5 and-6, which seemed to reflect the difference in the direction along which hydrides precipitate in the cladding. This indicates that the hydride precipitated in the cladding, which is considered to be dependent on the final heat treatment at fabrication, affects the fuel enthalpy at failure. In terms of the simulated LOCA test, integral thermal shock tests and high temperature oxidation tests have been conducted on high burnup PWR and BWR fuel cladding with advanced materials, and their fracture limits, high temperature oxidation rates, etc. were investigated. In the recent integral thermal shock tests for high burnup BWR cladding, namely Zry-2/LK3 material, no fractures were observed. In terms of the oxidation rate tests, the oxidation rate of irradiated M5{sup TM} was similar to those of unirradiated Zry-4 and M5{sup TM} and lower than the values estimated by the Baker-Just equation. From the results of these tests, it was found that in terms of these materials the fracture boundaries do not decrease and the oxidation does not significantly accelerate in the burnup level examined.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Structural and electronic properties of InN epitaxial layer grown on c-plane sapphire by chemical vapor deposition technique

Growth of InN epilayers on c-plane sapphire substrate by chemical vapor deposition technique using pure indium metal and ammonia as precursors has been systematically explored. It has been found that [0001] oriented indium nitride epitaxial layers with smooth surface morphology can be grown on c-plane sapphire substrates by optimizing the growth conditions. Bandgap of the film is observed to be Burstein–Moss shifted likely to be due to high background electron concentration. It has been found that the concentration of this unintentional doping decreases with the increase in the growth temperature and the ammonia flux. Epitaxial quality on the other hand deteriorates as the growth temperature increases. Moreover, the morphology of the deposited layer has been found to change from flat top islands to faceted mounds as the flow rate of ammonia increases. This phenomenon is expected to be related to the difference in surface termination character at low and high ammonia flow rates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Characteristics and mechanisms of hydrogen-induced quasi-cleavage fracture of lath martensitic steel

Here this study presents an in-depth characterization of the microstructures, crystallographic orientations, and dislocation characteristics beneath hydrogen-induced quasi-cleavage fracture features of an as-quenched, lath martensitic (α') 22MnB5 steel. The fracture surfaces of gaseous hydrogen-embrittled martensitic specimens were analyzed by a combination of multiple analytical tools: scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), transmission electron microscopy (TEM), and transmission Kikuchi diffraction (TKD). The dominant fracture mode in the hydrogen-affected zones was quasi-cleavage fracture, which involved significant plasticity, evidenced by plastic zones near tear ridges and a high density of dislocations beneath the quasi-cleavage facets. The martensite constituent sizes, variant orientations, and boundaries influenced the quasi-cleavage surface morphologies. Fractography revealed the occurrence of {100} α' -type cleavage across martensitic laths, developing relatively “flat” quasi-cleavage surfaces, in addition to {110} α' -type cracking likely along lath and block boundaries, and fracture along non-cleavage planes. The likelihood of the formation of the relatively “flat” quasi-cleavage surfaces increased with increasing martensitic constituent sizes. Substantial dislocation bands formed on intersecting {112} α' slip planes within a martensite block below the hydrogen-induced cleavage fractures on {100} α' planes. River markings on the quasi-cleavage surfaces were found to originate from the complex, hierarchical lath martensitic microstructure. Steps and ridges on the quasi-cleavage facets generally linked with the various martensitic boundaries, suggesting that they were produced as a result of crack deviations at those boundaries. The fracture paths and martensite quasi-cleavage mechanisms are discussed in the context of the role of hydrogen and Cottrell cleavage model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

New Insights into the Bulk and Surface Defect Structures of Ceria Nanocrystals from Neutron Scattering Study

Neutron diffraction and pair distribution function studies coupled with Raman spectroscopy have successfully unraveled the detailed oxygen defect structures of ceria nanocubes and nanorods. Two types of defect sites are revealed for the ceria nanocrystals: surface and bulk defects. It is proposed that the surface oxygen defects in both types of CeO 2 nanocrystals are predominantly the partially reduced Ce 3 O 5+x , with the bulk defect structures dominated by interstitial Frenkel-type oxygen vacancies. Ceria nanorods possess much higher concentration of surface oxygen defects relative to the nanocubes, albeit with only slightly higher concentration of bulk Frenkel-type oxygen vacancies. Upon annealing the nanorod sample at 600 °C under vacuum (~10 –4 to 10 –5 mbar), a partially reduced ceria phase with long-range oxygen vacancy ordering (Ce 3 O 5+x ) has been observed experimentally for the first time. This intriguing observation that surface defect phases can take on ordered defect sublattices under certain conditions is of great value in understanding the temperature-dependent catalytic performance of ceria nanocrystals. Furthermore, a drastic decrease of the surface vacancies in the ceria nanocrystals is observed upon exposure to SO 2 , especially for the nanorods, a likely origin for the sulfur poisoning effect on ceria-based materials. This study suggests that tailoring surface morphology is a promising strategy to control defect properties of ceria nanomaterials. It also provides fundamental insights to stabilize surface oxygen defects in CeO 2 nanocrystals to achieve high redox performance under corrosive environments such as under SO 2 /SO x exposure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Diffusion energy barrier of Au on Bi 2 Se 3 : theory and experiment

The stability and diffusion of ultra-thin thermally deposited Au films on Bi 2 Se 3 was studied using scanning tunneling microscopy and density functional theory calculations. The Au/Bi 2 Se 3 interface is of interest as gold is predicted to provide excellent electrical contact while maintaining the spin-polarized characteristics of the electronic states in Bi 2 Se 3 that make the material attractive for spintronic applications. When deposited at room temperature, Au 10 covers the surface with tightly packed islands of nanometer scale dimension. The surface morphology is stable up to 400K. At this annealing temperature, Au atoms have sufficient energy to diffuse across the surface and aggregate into larger nanostructures. At 550K, the Bi 2 Se 3 surface is only sparsely covered, and the Au has formed clusters with length scales 5-10 times larger than the original islands formed at room temperature. Comparison of the experiment and first principle calculation lead to the conclusion that the diffusion energy barrier for Au on Bi 2 Se 3 is as high as 0.47 eV, 15 which is much larger than diffusion barriers on other van der Waals materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Cooperative mechanisms behind nanoscale smoothing on metal surfaces: From adatom diffusion to step nucleation

Many technologies require stable or metastable surface morphology. Here, in this paper we study the factors that control the metastability of a common feature of rough surfaces: “hillocks.” We use low energy electron microscopy to follow the evolution of the individual atomic steps in hillocks on Pd(111). We show that the uppermost island in the stack often adopts a static, metastable configuration. Modeling this result shows that the degree of the metastability depends on the configuration of steps dozens of atomic layers lower. Our model allows us to link surface metastability to the atomic processes of surface evolution.

Fernandes Cauduro, Andre Luis↗
NASA NTRS1994

Thermocapillary flow with evaporation and condensation and its effect on liquid retention in low-G fluid acquisition devices

The steady motion, thermal and free surface behavior of a volatile, wetting liquid in microgravity are studied using scaling and numerical techniques. The objective is to determine whether the thermocapillary and two-phase convection arising from thermodynamic nonequilibrium along the porous surfaces of spacecraft liquid acquisition devices could cause the retention failures observed with liquid hydrogen and heated vapor pressurant. Why these devices seem immune to retention loss when pressurized with heated helium or heated directly through the porous structure was also examined. Results show that highly wetting fluids exhibit large negative and positive dynamic pressure gradients towards the meniscus interline when superheated and subcooled, respectively. With superheating, the pressure variation and recoil force arising from liquid/vapor phase change exert the same influence on surface morphology and promote retention. With subcooling, however, the pressure distribution produces a suction that degrades mechanical equilibrium of the surface. This result indicates that thermocapillary-induced deformation arising from subcooling and condensation is the likely cause for retention loss. In addition, increasing the level of nonequilibrium by reducing accommodation coefficient suppresses deformation and explains why this failure mode does not occur in instances of direct screen heating or pressurization with a heated inert gas.

Schmidt, George R.↗
NASA NTRS2001

Atomically Flat Surfaces Developed for Improved Semiconductor Devices

New wide bandgap semiconductor materials are being developed to meet the diverse high temperature, -power, and -frequency demands of the aerospace industry. Two of the most promising emerging materials are silicon carbide (SiC) for high-temperature and high power applications and gallium nitride (GaN) for high-frequency and optical (blue-light-emitting diodes and lasers) applications. This past year Glenn scientists implemented a NASA-patented crystal growth process for producing arrays of device-size mesas whose tops are atomically flat (i.e., step-free). It is expected that these mesas can be used for fabricating SiC and GaN devices with major improvements in performance and lifetime. The promising new SiC and GaN devices are fabricated in thin-crystal films (known as epi films) that are grown on commercial single-crystal SiC wafers. At this time, no commercial GaN wafers exist. Crystal defects, known as screw defects and micropipes, that are present in the commercial SiC wafers propagate into the epi films and degrade the performance and lifetime of subsequently fabricated devices. The new technology isolates the screw defects in a small percentage of small device-size mesas on the surface of commercial SiC wafers. This enables atomically flat surfaces to be grown on the remaining defect-free mesas. We believe that the atomically flat mesas can also be used to grow GaN epi films with a much lower defect density than in the GaN epi films currently being grown. Much improved devices are expected from these improved low-defect epi films. Surface-sensitive SiC devices such as Schottky diodes and field effect transistors should benefit from atomically flat substrates. Also, we believe that the atomically flat SiC surface will be an ideal surface on which to fabricate nanoscale sensors and devices. The process for achieving atomically flat surfaces is illustrated. The surface steps present on the "as-received" commercial SiC wafer is also illustrated. because of the small tilt angle between the crystal "basal" plane and the polished wafer surface. These steps are used in normal SiC epi film growth in a process known as stepflow growth to produce material for device fabrication. In the new process, the first step is to etch an array of mesas on the SiC wafer top surface. Then, epi film growth is carried out in the step flow fashion until all steps have grown themselves out of existence on each defect-free mesa. If the size of the mesas is sufficiently small (about 0.1 by 0.1 mm), then only a small percentage of the mesas will contain an undesired screw defect. Mesas with screw defects supply steps during the growth process, allowing a rough surface with unwanted hillocks to form on the mesa. The improvement in SiC epi surface morphology achievable with the new technology is shown. An atomic force microscope image of a typical SiC commercial epilayer surface is also shown. A similar image of an SiC atomically flat epi surface grown in a Glenn laboratory is given. With the current screw defect density of commercial wafers (about 5000 defects/cm2), the yield of atomically free 0.1 by 0.l mm mesas is expected to be about 90 percent. This is large enough for many types of electronic and optical devices. The implementation of this new technology was recently published in Applied Physics Letters. This work was initially carried out in-house under a Director's Discretionary Fund project and is currently being further developed under the Information Technology Base Program.

Powell, J. Anthony↗
DOE OSTI2015

Surface roughening and scaling behavior of vacuum-deposited SnCl{sub 2}Pc organic thin films on different substrates

The evolution of surface morphology and scaling behavior of tin (IV) phthalocyanine dichloride (SnCl{sub 2}Pc) thin films grown on Si(100) and glass substrates have been studied using atomic force microscopy (AFM) and height-height correlation function analysis. X-ray diffraction measurement confirms the crystalline nature of the SnCl{sub 2}Pc thin film on glass substrate, while no crystallographic ordering is present for the film grown on Si substrate. The growth exponent β is found to be much larger for the film on glass substrate (0.48 ± 0.07) as compared to that on Si substrate (0.21 ± 0.08), which may be due to the high step-edge barrier, so-called Ehrlich-Schwöbel barrier, resulting in the upward dominant growth on glass substrate. From the 2D fast Fourier transform of AFM images and derived scaling exponents, we conclude that the surface evolution follows a mound like growth. These results imply the superiority of glass substrate over the Si substrate for the growth of device quality SnCl{sub 2}Pc thin film.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗