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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Anomalous junctions characterized by Raman spectroscopy in Si{sub x}Ge{sub 1−x} nanowires with axially degraded components

The characterization of junctions in nanowires by high-resolution transmission electron microscopy with spherical aberration correction is tricky and tedious. Many disadvantages also exist, including rigorous sample preparation and structural damage inflicted by high-energy electrons. In this work, we present a simple, low-cost, and non-destructive Raman spectroscopy method of characterizing anomalous junctions in nanowires with axially degraded components. The Raman spectra of Si{sub x}Ge{sub 1−x} nanowires with axially degraded components are studied in detail using a confocal micro-Raman spectrometer. Three Raman peaks (ν{sub Si–Si} = 490 cm{sup −1}, ν{sub Si–Ge} = 400 cm{sup −1}, and ν{sub Ge–Ge} = 284 cm{sup −1}) up-shift with increased Si content. This up-shift originates in the bond compression induced by a confined effect on the radial direction of nanowire. The anomalous junctions in Si{sub x}Ge{sub 1−x} nanowires with axially degraded components are then observed by Raman spectroscopy and verified by transmission electron microscopy energy-dispersive X-ray spectroscopy. The anomalous junctions of Si{sub x}Ge{sub 1−x} nanowires with axially degraded components are due to the vortex flow of inlet SiH{sub 4} and GeH{sub 4} gas in their synthesis. The anomalous junctions can be used as raw materials for fabricating devices with special functions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Ge{sub 1-y}Sn{sub y} (y = 0.01-0.10) alloys on Ge-buffered Si: Synthesis, microstructure, and optical properties

Novel hydride chemistries are employed to deposit light-emitting Ge{sub 1-y}Sn{sub y} alloys with y ≤ 0.1 by Ultra-High Vacuum Chemical Vapor Deposition (UHV-CVD) on Ge-buffered Si wafers. The properties of the resultant materials are systematically compared with similar alloys grown directly on Si wafers. The fundamental difference between the two systems is a fivefold (and higher) decrease in lattice mismatch between film and virtual substrate, allowing direct integration of bulk-like crystals with planar surfaces and relatively low dislocation densities. For y ≤ 0.06, the CVD precursors used were digermane Ge₂H₆ and deuterated stannane SnD₄. For y ≥ 0.06, the Ge precursor was changed to trigermane Ge₃H₈, whose higher reactivity enabled the fabrication of supersaturated samples with the target film parameters. In all cases, the Ge wafers were produced using tetragermane Ge₄H₁₀ as the Ge source. The photoluminescence intensity from Ge{sub 1–y}Sn{sub y}/Ge films is expected to increase relative to Ge{sub 1–y}Sn{sub y}/Si due to the less defected interface with the virtual substrate. However, while Ge{sub 1–y}Sn{sub y}/Si films are largely relaxed, a significant amount of compressive strain may be present in the Ge{sub 1–y}Sn{sub y}/Ge case. This compressive strain can reduce the emission intensity by increasing the separation between the direct and indirect edges. In this context, it is shown here that the proposed CVD approach to Ge{sub 1–y}Sn{sub y}/Ge makes it possible to approach film thicknesses of about 1 μm, for which the strain is mostly relaxed and the photoluminescence intensity increases by one order of magnitude relative to Ge{sub 1–y}Sn{sub y}/Si films. The observed strain relaxation is shown to be consistent with predictions from strain-relaxation models first developed for the Si{sub 1–x}Ge{sub x}/Si system. The defect structure and atomic distributions in the films are studied in detail using advanced electron-microscopy techniques, including aberration corrected STEM imaging and EELS mapping of the average diamond–cubic lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Location of laccase in ordered mesoporous materials

The functionalization with amine groups was developed on the SBA-15, and its effect in the laccase immobilization was compared with that of a Periodic Mesoporous Aminosilica. A method to encapsulate the laccase in situ has now been developed. In this work, spherical aberration (C{sub s}) corrected scanning transmission electron microscopy combined with high angle annular dark field detector and electron energy loss spectroscopy were applied to identify the exact location of the enzyme in the matrix formed by the ordered mesoporous solids.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Significant increase of Curie temperature in nano-scale BaTiO{sub 3}

The low Curie temperature (T{sub c} = 130 °C) of bulk BaTiO{sub 3} greatly limits its applications. In this work, the phase structures of BaTiO{sub 3} nanoparticles with sizes ranging from 2.5 nm to 10 nm were studied at various temperatures by using aberration-corrected transmission electron microscopy (TEM) equipped with an in-situ heating holder. The results implied that each BaTiO{sub 3} nanoparticle was composed of different phases, and the ferroelectric ones were observed in the shells due to the complicated surface structure. The ferroelectric phases in BaTiO{sub 3} nanoparticles remained at 600 °C, suggesting a significant increase of T{sub c}. Based on the in-situ TEM results and the data reported by others, temperature-size phase diagrams for BaTiO{sub 3} particles and ceramics were proposed, showing that the phase transition became diffused and the T{sub c} obviously increased with decreasing size. The present work sheds light on the design and fabrication of advanced devices for high temperature applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Low temperature epitaxy of Ge-Sb-Te films on BaF{sub 2} (111) by pulsed laser deposition

Pulsed laser deposition was employed to deposit epitaxial Ge{sub 2}Sb{sub 2}Te{sub 5}-layers on the (111) plane of BaF{sub 2} single crystal substrates. X-ray diffraction measurements show a process temperature window for epitaxial growth between 85 °C and 295 °C. No crystalline growth is observed for lower temperatures, whereas higher temperatures lead to strong desorption of the film constituents. The films are of hexagonal structure with lattice parameters consistent with existing models. X-ray pole figure measurements reveal that the films grow with one single out-of-plane crystal orientation, but rotational twin domains are present. The out-of-plane epitaxial relationship is determined to be Ge{sub 2}Sb{sub 2}Te{sub 5}(0001) || BaF{sub 2}(111), whereas the in-plane relationship is characterized by two directions, i.e., Ge{sub 2}Sb{sub 2}Te{sub 5} [-12-10] || BaF{sub 2}[1-10] and Ge{sub 2}Sb{sub 2}Te{sub 5}[1-210] || BaF{sub 2}[1-10]. Aberration-corrected high-resolution scanning transmission electron microscopy was used to resolve the local atomic structure and confirm the hexagonal structure of the films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Materials News: Interfacial chemistry and atomic arrangement of ZrO{sub 2} − La{sub 2/3}Sr{sub 1/3}MnO{sub 3} pillar-matrix structures

We studied ZrO{sub 2} − La{sub 2/3}Sr{sub 1/3}MnO{sub 3} pillar–matrix thin films which were found to show anomalous magnetic and electron transport properties. With the application of an aberration-corrected transmission electron microscope, interfacial chemistry, and atomic-arrangement of the system, especially of the pillar–matrix interface were revealed at atomic resolution. Minor amounts of Zr were found to occupy Mn positions within the matrix. The Zr concentration reaches a minimum near the pillar–matrix interface accompanied by oxygen vacancies. La and Mn diffusion into the pillar was revealed at atomic resolution and a concomitant change of the Mn valence state was observed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Ultrahigh-spatial-resolution chemical and magnetic imaging by laser-based photoemission electron microscopy

We report the first experiments carried out on a new chemical and magnetic imaging system, which combines the high spatial resolution of a photoemission electron microscope (PEEM) with a continuous-wave deep-ultraviolet laser. Threshold photoemission is sensitive to the chemical and magnetic structures of the surface of materials. The spatial resolution of PEEM is limited by space charging when using pulsed photon sources as well as aberrations in the electron optics. We show that the use of a continuous-wave laser enabled us to overcome such a limit by suppressing the space-charge effect, allowing us to obtain a resolution of approximately 2.6 nm. With this system, we demonstrated the imaging of surface reconstruction domains on Si(001) by linear dichroism with normal incidence of the laser beam. We also succeeded in magnetic imaging of thin films with the use of magnetic circular dichroism near the Fermi level. The unique features of the ultraviolet laser will give us fast switching of the incident angles and polarizations of the photon source, which will be useful for the characterization of antiferromagnetic materials as well as ferromagnetic materials.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Direct observation of charge mediated lattice distortions in complex oxide solid solutions

Using aberration corrected scanning transmission electron microscopy combined with advanced imaging methods, we directly observe atom column specific, picometer-scale displacements induced by local chemistry in a complex oxide solid solution. Displacements predicted from density functional theory were found to correlate with the observed experimental trends. Further analysis of bonding and charge distribution was used to clarify the mechanisms responsible for the detected structural behavior. By extending the experimental electron microscopy measurements to previously inaccessible length scales, we identified correlated atomic displacements linked to bond differences within the complex oxide structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Atomic-scale observation of dynamical fluctuation and three-dimensional structure of gold clusters

Unravelling three-dimensional structures and dynamical fluctuation of metal nanoclusters is critical to understanding reaction process and the origin of catalytic activity in many heterogeneous catalytic systems. We obtain three-dimensional structures of ultra-small Au clusters by combining aberration-corrected scanning transmission electron microscopy, density functional theory calculations, and imaging simulations. The configurations of unique Au clusters are revealed at the atomic scale and the corresponding electronic states are given. The sequential observations reveal a transition of ultra-small Au clusters with about 25 atoms from a near-square to an elongated structure. We also find a transition from two dimensions to three dimensions for the Au clusters. The obtained three-dimensional geometry and associated electronic states help to clarify atomistic mechanism of shape- and number-dependent catalytic activities of Au clusters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A bioinformatics prediction approach towards analyzing the glycosylation, co-expression and interaction patterns of epithelial membrane antigen (EMA/MUC1)

Epithelial membrane antigen (EMA or MUC1) is a heavily glycosylated, type I transmembrane glycoprotein commonly expressed by epithelial cells of duct organs. It has been shown to be aberrantly glycosylated in several diseases including cancer. Protein sequence based annotation and analysis of glycosylation profile of glycoproteins by robust computational and comprehensive algorithms provides possible insights to the mechanism(s) of anomalous glycosylation. In present report, by using a number of bioinformatics applications we studied EMA/MUC1 and explored its trans-membrane structural domain sequence that is widely subjected to glycosylation. Exploration of different extracellular motifs led to prediction of N and O-linked glycosylation target sites. Based on the putative O-linked target sites, glycosylated moieties and pathways were envisaged. Furthermore, Protein network analysis demonstrated physical interaction of EMA with a number of proteins and confirmed its functional involvement in cell growth and proliferation pathways. Gene Ontology analysis suggested an involvement of EMA in a number of functions including signal transduction, protein binding, processing and transport along with glycosylation. Thus, present study explored potential of bioinformatics prediction approach in analyzing glycosylation, co-expression and interaction patterns of EMA/MUC1 glycoprotein.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Band gaps of wurtzite Sc{sub x}Ga{sub 1−x}N alloys

Optical transmittance measurements on epitaxial, phase-pure, wurtzite-structure Sc{sub x}Ga{sub 1−x}N films with 0 ≤ x ≤ 0.26 showed that their direct optical band gaps increased from 3.33 eV to 3.89 eV with increasing x, in agreement with theory. These films contained I{sub 1}- and I{sub 2}-type stacking faults. However, the direct optical band gaps decreased from 3.37 eV to 3.26 eV for Sc{sub x}Ga{sub 1−x}N films, which additionally contained nanoscale lamellar inclusions of the zinc-blende phase, as revealed by aberration-corrected scanning transmission electron microscopy. Therefore, we conclude that the apparent reduction in Sc{sub x}Ga{sub 1−x}N band gaps with increasing x is an artefact resulting from the presence of nanoscale zinc-blende inclusions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Research Update: Interface-engineered oxygen octahedral tilts in perovskite oxide heterostructures

Interface engineering of structural distortions is a key for exploring the functional properties of oxide heterostructures and superlattices. In this paper, we report on our comprehensive investigations of oxygen octahedral distortions at the heterointerface between perovskite oxides SrRuO{sub 3} and BaTiO{sub 3} on GdScO{sub 3} substrates and of the influences of the interfacially engineered distortions on the magneto-transport properties of the SrRuO{sub 3} layer. Our state-of-the-art annular bright-field imaging in aberration-corrected scanning transmission electron microscopy revealed that the RuO{sub 6} octahedral distortions in the SrRuO{sub 3} layer have strong dependence on the stacking order of the SrRuO{sub 3} and BaTiO{sub 3} layers on the substrate. This can be attributed to the difference in the interfacial octahedral connections. We also found that the stacking order of the oxide layers has a strong impact on the magneto-transport properties, allowing for control of the magnetic anisotropy of the SrRuO{sub 3} layer through interface engineering. Our results demonstrate the significance of the interface engineering of the octahedral distortions on the structural and physical properties of perovskite oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2015

On the structural origins of ferroelectricity in HfO{sub 2} thin films

Here, we present a structural study on the origin of ferroelectricity in Gd doped HfO{sub 2} thin films. We apply aberration corrected high-angle annular dark-field scanning transmission electron microscopy to directly determine the underlying lattice type using projected atom positions and measured lattice parameters. Furthermore, we apply nanoscale electron diffraction methods to visualize the crystal symmetry elements. Combined, the experimental results provide unambiguous evidence for the existence of a non-centrosymmetric orthorhombic phase that can support spontaneous polarization, resolving the origin of ferroelectricity in HfO{sub 2} thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Correlation between switching to n-type conductivity and structural defects in highly Mg-doped InN

The effect of Mg doping on the microstructure of InN epitaxial films in relation to their free-charge carrier properties has been investigated by transmission electron microscopy (TEM) and aberration corrected scanning TEM. We observe a direct correlation between Mg concentration and the formation of stacking faults. The threading dislocation density is found to be independent of Mg concentration. The critical Mg concentration for the on-set of stacking faults formation is determined and found to correlate with the switch from p- to n-type conductivity in InN. Potential mechanisms involving stacking faults and point defect complexes are invoked in order to explain the observed conductivity reversal. Finally, the stacking faults are structurally determined and their role in the reduction of the free electron mobility in highly doped InN:Mg is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Gold nanoparticles formed directly on a membrane by ultraviolet light irradiation

There have been numerous research efforts directed towards the synthesis of gold (Au) nanoparticles (NPs) and the understanding of their formation, so that their size, shape, and stability can be well controlled for desired applications. Here, we report a dry photo-reduced method of Au NP formation directly on a membrane, such as a carbon thin film or a quartz slide. The evolution of Au NP formation was revealed by ex-situ experiments in an aberration-corrected scanning transmission electron microscope. The membranes were immersed in Au{sup 3+} solution before being taken out and quickly dried in ambient air at room temperature, then irradiated with ultraviolet (UV) light with wavelengths of 189 nm and 254 nm in a low-pressure chamber. The results show that Au{sup 3+} ions and ion clusters self-assembled on the membrane surface before UV irradiation and that solid Au NPs with sizes of 3 nm–12 nm were formed after UV irradiation. Annealing at 40 °C for about 30 min helped to further stabilize the nanoparticles. The Au NPs were uniform and well dispersed, and should find applications in the electron microscopy field, for example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Computational hydrodynamics and optical performance of inductively-coupled plasma adaptive lenses

This study addresses the optical performance of a plasma adaptive lens for aero-optical applications by using both axisymmetric and three-dimensional numerical simulations. Plasma adaptive lenses are based on the effects of free electrons on the phase velocity of incident light, which, in theory, can be used as a phase-conjugation mechanism. A closed cylindrical chamber filled with Argon plasma is used as a model lens into which a beam of light is launched. The plasma is sustained by applying a radio-frequency electric current through a coil that envelops the chamber. Four different operating conditions, ranging from low to high powers and induction frequencies, are employed in the simulations. The numerical simulations reveal complex hydrodynamic phenomena related to buoyant and electromagnetic laminar transport, which generate, respectively, large recirculating cells and wall-normal compression stresses in the form of local stagnation-point flows. In the axisymmetric simulations, the plasma motion is coupled with near-wall axial striations in the electron-density field, some of which propagate in the form of low-frequency traveling disturbances adjacent to vortical quadrupoles that are reminiscent of Taylor-Görtler flow structures in centrifugally unstable flows. Although the refractive-index fields obtained from axisymmetric simulations lead to smooth beam wavefronts, they are found to be unstable to azimuthal disturbances in three of the four three-dimensional cases considered. The azimuthal striations are optically detrimental, since they produce high-order angular aberrations that account for most of the beam wavefront error. A fourth case is computed at high input power and high induction frequency, which displays the best optical properties among all the three-dimensional simulations considered. In particular, the increase in induction frequency prevents local thermalization and leads to an axisymmetric distribution of electrons even after introduction of spatial disturbances. The results highlight the importance of accounting for spatial effects in the numerical computations when optical analyses of plasma lenses are pursued in this range of operating conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Direct imaging of structural heterogeneity of the melt-spun Fe{sub 85.2}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 0.8} alloy

A structural heterogeneity of the melt-spun Fe{sub 85.2}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 0.8} alloy has been studied by spherical aberration (C{sub s}) corrected high-resolution transmission electron microscopy. Hollow-cone illumination imaging revealed that the density of coherent scattering regions in the as-quenched Fe{sub 85.2}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 0.8} alloy is much higher than that in the Fe{sub 76}Si{sub 9}B{sub 10}P{sub 5} bulk metallic glass. According to the C{sub s}-corrected TEM, crystalline atomic clusters, typically of ∼1 nm in diameter, are densely distributed in an amorphous matrix of Fe{sub 85.2}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 0.8} alloy. Observation of four-fold and six-fold atomic arrangements of these clusters implies existence of Fe clusters with the body centered cubic structure. These Fe clusters must be responsible for the formation of ultrahigh-density α-Fe nanocrystals produced by post-annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Thin Fresnel zone plate lenses for focusing underwater sound

A Fresnel zone plate (FZP) lens of the Soret type creates a focus by constructive interference of waves diffracted through open annular zones in an opaque screen. For underwater sound below MHz frequencies, a large FZP that blocks sound using high-impedance, dense materials would have practical disadvantages. We experimentally and numerically investigate an alternative approach of creating a FZP with thin (0.4λ) acoustically opaque zones made of soft silicone rubber foam attached to a thin (0.1λ) transparent rubber substrate. An ultra-thin (0.0068λ) FZP that achieves higher gain is also proposed and simulated which uses low-volume fraction, bubble-like resonant air ring cavities to construct opaque zones. Laboratory measurements at 200 kHz indicate that the rubber foam can be accurately modeled as a lossy fluid with an acoustic impedance approximately 1/10 that of water. Measured focal gains up to 20 dB agree with theoretical predictions for normal and oblique incidence. The measured focal radius of 0.68λ (peak-to-null) agrees with the Rayleigh diffraction limit prediction of 0.61 λ/NA (NA = 0.88) for a low-aberration lens.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗