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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 1,585 records · Page 88
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DOE OSTI2015

Revisiting the blocking force test on ferroelectric ceramics using high energy x-ray diffraction

The blocking force test is a standard test to characterise the properties of piezoelectric actuators. The aim of this study is to understand the various contributions to the macroscopic behaviour observed during this experiment that involves the intrinsic piezoelectric effect, ferroelectric domain switching, and internal stress development. For this purpose, a high energy diffraction experiment is performed in-situ during a blocking force test on a tetragonal lead zirconate titanate (PZT) ceramic (Pb{sub 0.98}Ba{sub 0.01}(Zr{sub 0.51}Ti{sub 0.49}){sub 0.98}Nb{sub 0.02}O{sub 3}). It is shown that the usual macroscopic linear interpretation of the test can also be performed at the single crystal scale, allowing the identification of local apparent piezoelectric and elastic properties. It is also shown that despite this apparent linearity, the blocking force test involves significant non-linear behaviour mostly due to domain switching under electric field and stress. Although affecting a limited volume fraction of the material, domain switching is responsible for a large part of the macroscopic strain and explains the high level of inter- and intra-granular stresses observed during the course of the experiment. The study shows that if apparent piezoelectric and elastic properties can be identified for PZT single crystals from blocking stress curves, they may be very different from the actual properties of polycrystalline materials due to the multiplicity of the physical mechanisms involved. These apparent properties can be used for macroscopic modelling purposes but should be considered with caution if a local analysis is aimed at.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Atomic substitution effects on the structural and vibrational properties of Ni{sub x}Pb{sub 1-x}TiO{sub 3}: X-ray diffraction and Raman scattering investigations

The effects of the atomic substitution of Pb by Ni in the PbTiO{sub 3} ferroelectric perovskite on the vibrational and structural properties was studied using x-ray diffraction and Raman scattering. It was observed that for Ni concentrations between 0.0 and 0.4, there is the formation of a solid solution with reduction of the Raman wavenumber of the E(TO1) soft mode and the tetragonallity factor, which influence directly the temperature of the tetragonal ferroelectric to cubic paraelectric phase transition, the Curie temperature. For concentrations greater than 0.4, it is observed the formation of a PbTiO{sub 3} and NiTiO{sub 3} composite, denounced by the recovering of the both, tetragonallity factor and the E(TO1) soft mode wavenumber. The values of the Curie temperatures were estimated by the Raman scattering measurements for temperatures ranging from 300 to 950 K.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microfluidic sorting of protein nanocrystals by size for X-ray free-electron laser diffraction

The advent and application of the X-ray free-electron laser (XFEL) has uncovered the structures of proteins that could not previously be solved using traditional crystallography. While this new technology is powerful, optimization of the process is still needed to improve data quality and analysis efficiency. One area is sample heterogeneity, where variations in crystal size (among other factors) lead to the requirement of large data sets (and thus 10–100 mg of protein) for determining accurate structure factors. To decrease sample dispersity, we developed a high-throughput microfluidic sorter operating on the principle of dielectrophoresis, whereby polydisperse particles can be transported into various fluid streams for size fractionation. Using this microsorter, we isolated several milliliters of photosystem I nanocrystal fractions ranging from 200 to 600 nm in size as characterized by dynamic light scattering, nanoparticle tracking, and electron microscopy. Sorted nanocrystals were delivered in a liquid jet via the gas dynamic virtual nozzle into the path of the XFEL at the Linac Coherent Light Source. We obtained diffraction to ∼4 Å resolution, indicating that the small crystals were not damaged by the sorting process. We also observed the shape transforms of photosystem I nanocrystals, demonstrating that our device can optimize data collection for the shape transform-based phasing method. Using simulations, we show that narrow crystal size distributions can significantly improve merged data quality in serial crystallography. From this proof-of-concept work, we expect that the automated size-sorting of protein crystals will become an important step for sample production by reducing the amount of protein needed for a high quality final structure and the development of novel phasing methods that exploit inter-Bragg reflection intensities or use variations in beam intensity for radiation damage-induced phasing. This method will also permit an analysis of the dependence of crystal quality on crystal size.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Strain in epitaxial Bi{sub 2}Se{sub 3} grown on GaN and graphene substrates: A reflection high-energy electron diffraction study

Topological insulator (TI) has been one of the focus research themes in condensed matter physics in recent years. Due to the relatively large energy bandgap, Bi{sub 2}Se{sub 3} has been identified as one of the most promising three-dimensional TIs with application potentials. Epitaxial Bi{sub 2}Se{sub 3} by molecular-beam epitaxy has been reported by many groups using different substrates. A common feature is that Bi{sub 2}Se{sub 3} grows readily along the c-axis direction irrespective of the type and condition of the substrate. Because of the weak van der Waals interaction between Bi{sub 2}Se{sub 3} quintuple layers, the grown films are reported to be strain-free, taking the lattice constant of the bulk crystal. At the very initial stage of Bi{sub 2}Se{sub 3} deposition, however, strain may still exist depending on the substrate. Strain may bring some drastic effects to the properties of the TIs and so achieving strained TIs can be of great fundamental interests as well as practical relevance. In this work, we employ reflection high-energy electron diffraction to follow the lattice constant evolution of Bi{sub 2}Se{sub 3} during initial stage depositions on GaN and graphene, two very different substrates. We reveal that epitaxial Bi{sub 2}Se{sub 3} is tensile strained on GaN but strain-free on graphene. Strain relaxation on GaN is gradual.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Dynamic microscale temperature gradient in a gold nanorod solution measured by diffraction-limited nanothermometry

We quantify the dynamic microscale temperature gradient in a gold nanorod solution using quantum-dot-based microscopic fluorescence nanothermometry. By incorporating CdSe quantum dots into the solution as a nanothermometer, precise temperature mapping with diffraction-limited spatial resolution and sub-degree temperature resolution is achieved. The acquired data on heat generation and dissipation show an excellent agreement with theoretical simulations. This work reveals an effective approach for noninvasive temperature regulation with localized nanoheaters in microfluidic environment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Localized tip enhanced Raman spectroscopic study of impurity incorporated single GaN nanowire in the sub-diffraction limit

The localized effect of impurities in single GaN nanowires in the sub-diffraction limit is reported using the study of lattice vibrational modes in the evanescent field of Au nanoparticle assisted tip enhanced Raman spectroscopy (TERS). GaN nanowires with the O impurity and the Mg dopants were grown by the chemical vapor deposition technique in the catalyst assisted vapor-liquid-solid process. Symmetry allowed Raman modes of wurtzite GaN are observed for undoped and doped nanowires. Unusually very strong intensity of the non-zone center zone boundary mode is observed for the TERS studies of both the undoped and the Mg doped GaN single nanowires. Surface optical mode of A{sub 1} symmetry is also observed for both the undoped and the Mg doped GaN samples. A strong coupling of longitudinal optical (LO) phonons with free electrons, however, is reported only in the O rich single nanowires with the asymmetric A{sub 1}(LO) mode. Study of the local vibration mode shows the presence of Mg as dopant in the single GaN nanowires.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Fabrication of Pt nanowires with a diffraction-unlimited feature size by high-threshold lithography

Although the nanoscale world can already be observed at a diffraction-unlimited resolution using far-field optical microscopy, to make the step from microscopy to lithography still requires a suitable photoresist material system. In this letter, we consider the threshold to be a region with a width characterized by the extreme feature size obtained using a Gaussian beam spot. By narrowing such a region through improvement of the threshold sensitization to intensity in a high-threshold material system, the minimal feature size becomes smaller. By using platinum as the negative photoresist, we demonstrate that high-threshold lithography can be used to fabricate nanowire arrays with a scalable resolution along the axial direction of the linewidth from the micro- to the nanoscale using a nanosecond-pulsed laser source with a wavelength λ{sub 0} = 1064 nm. The minimal feature size is only several nanometers (sub λ{sub 0}/100). Compared with conventional polymer resist lithography, the advantages of high-threshold lithography are sharper pinpoints of laser intensity triggering the threshold response and also higher robustness allowing for large area exposure by a less-expensive nanosecond-pulsed laser.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

In-situ X-ray diffraction studies of the phase transformations and structural states of B2, R and B19′ phases in Ti{sub 49.5}Ni{sub 50.5} alloy

The martensitic transformation, Debye–Waller factor, mean-square atomic displacements and the coefficient of thermal expansion on cooling of the Ti{sub 49.5}Ni{sub 50.5} shape memory alloy were examined using in-situ X-ray diffraction. It was revealed B2→R (T{sub R} ≡ T = 273 ± 10 K) along with B2→B19’ (M{sub s} ≡ T = 273 ± 10 K) transitions occur. It was found that Debye–Waller factor and mean-square displacement of B2 phase undergo significant increase as functions of temperature when phase transition B2→R and B2→B19’ take place. The analysis of the thermal expansion coefficient of the B2 phase indicates that the value of a increases almost linearly while cooling.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Direct observation of strain in InAs quantum dots and cap layer during molecular beam epitaxial growth using in situ X-ray diffraction

Direct measurements on the growth of InAs quantum dots (QDs) and various cap layers during molecular beam epitaxy are performed by in situ X-ray diffraction (XRD). The evolution of strain induced both in the QDs and cap layers during capping is discussed based on the XRD intensity transients obtained at various lattice constants. Transients with different features are observed from those obtained during InGaAs and GaAs capping. The difference observed is attributed to In-Ga intermixing between the QDs and the cap layer under limited supply of In. Photoluminescence (PL) wavelength can be tuned by controlling the intermixing, which affects both the strain induced in the QDs and the barrier heights. The PL wavelength also varies with the cap layer thickness. A large redshift occurs by reducing the cap thickness. The in situ XRD observation reveals that this is a result of reduced strain. We demonstrate how such information about strain can be applied for designing and preparing novel device structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Atomic motion of resonantly vibrating quartz crystal visualized by time-resolved X-ray diffraction

Transient atomic displacements during a resonant thickness-shear vibration of AT-cut α-quartz are revealed by time-resolved X-ray diffraction under an alternating electric field. The lattice strain resonantly amplified by the alternating electric field is ∼10{sup 4} times larger than that induced by a static electric field. The resonantly amplified lattice strain is achieved by fast displacements of oxygen anions and collateral resilient deformation of Si−O−Si angles bridging rigid SiO{sub 4} tetrahedra, which efficiently transduce electric energy into elastic energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Polar POLICRYPS diffractive structures generate cylindrical vector beams

Local shaping of the polarization state of a light beam is appealing for a number of applications. This can be achieved by employing devices containing birefringent materials. In this article, we present one such enables converting a uniformly circularly polarized beam into a cylindrical vector beam (CVB). This device has been fabricated by exploiting the POLICRYPS (POlymer-LIquid CRYstals-Polymer-Slices) photocuring technique. It is a liquid-crystal-based optical diffraction grating featuring polar symmetry of the director alignment. We have characterized the resulting CVB profile and polarization for the cases of left and right circularly polarized incoming beams.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nonlinear focusing of ultrasonic waves by an axisymmetric diffraction grating embedded in water

We report the nonlinear focusing of ultrasonic waves by an axisymmetric diffraction grating immersed in water. In the linear regime, the system presents high focal gain (32 dB), with a narrow beam-width and intense side lobes as it is common in focusing by Fresnel-like lenses. Activating the nonlinearity of the host medium by using high amplitude incident waves, the focusing properties of the lens dramatically change. Theoretical predictions show that the focal gain of the system extraordinary increases in the strongly nonlinear regime (Mach number of 6.1 × 10{sup −4}). Particularly, the harmonic generation is locally activated at the focal spot, and the second harmonic beam is characterized by strongly reduced side-lobes and an excellent beam profile as experiments show in agreement with theory. The results can motivate applications in medical therapy or second harmonic imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Shaping the spatial and spectral emissivity at the diffraction limit

Metasurfaces have attracted a growing interest for their ability to artificially tailor an electromagnetic response on various spectral ranges. In particular, thermal sources with unprecedented abilities, such as directionality or monochromaticity, have been achieved. However, these metasurfaces exhibit homogeneous optical properties whereas the spatial modulation of the emissivity up to the wavelength scale is at the crux of the design of original emitters. In this letter, we study an inhomogeneous metasurface made of a nonperiodic set of optical nano-antennas that spatially and spectrally control the emitted light up to the diffraction limit. Each antenna acts as an independent deep subwavelength emitter for given polarization and wavelength. Their juxtaposition at the subwavelength scale encodes far field multispectral and polarized images. This opens up promising breakthroughs for applications such as optical storage, anti-counterfeit devices, and multispectral emitters for biochemical sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Femtosecond laser induced tunable surface transformations on (111) Si aided by square grids diffraction

We report an extra freedom to modulate the femtosecond laser energy distribution to control the surface ablated structures through a copper-grid mask. Due to the reduced deposited pulse energy by changing the scanning speed or the pulse fluence, a sequential evolution of three distinctly different surface patterns with periodic distributions is formed, namely, striped ripple lines, ripple microdots, and surface modification. By changing the scanning speed, the number of the multiple dots in a lattice can be modulated. Moreover, by exploring the ablation process through the copper grid mask, it shows an abnormal enhanced ablation effect with strong dependence of the diffraction-aided fs laser ablated surface structures on polarization direction. The sensitivity shows a quasi-cosinusoid-function with a periodicity of π/2. Particularly, the connection process of striped ripple lines manifests a preferential formation direction with the laser polarization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Improvement of diffraction efficiency of three-dimensional magneto-optic spatial light modulator with magnetophotonic crystal

We have developed three-dimensional magneto-optic spatial light modulators (3D-MOSLMs) that use magnetic domains as submicron scale pixels to represent holograms. Our display system uses a submicron-scale magnetic pixel array on an amorphous TbFe film to create a wide viewing angle hologram. However, in previous work the reconstructed images had a low intensity and a low optical contrast; brightness of the reconstructed image was 4.4 × 10{sup −2 }cd/m{sup 2} with 532 nm illumination light at 10.8 mW/cm{sup 2}, while display standard ISO13406 recommends 100 cd/m{sup 2} or more. In this paper, we describe our development of a 3D-MOSLM composed of an artificial magnetic lattice structure of magnetophotonic crystals (MPCs). The MPCs enhance the diffraction efficiency of reconstructed 3D images and reduce the power consumption for controlling the magnetic pixels by a light localization effect. We demonstrate reconstructed 3D images using the MPC and show significant brightness improvement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Anomalous lattice deformation in GaN/SiC(0001) measured by high-speed in situ synchrotron X-ray diffraction

We report an anomalous lattice deformation of GaN layers grown on SiC(0001) by molecular beam epitaxy. The evolution of the lattice parameters during the growth of the GaN layers was measured by in situ synchrotron X-ray diffraction. The lattice parameters in the directions parallel and normal to the surface showed significant deviation from the elastic strains expected for lattice-mismatched films on substrates up to a thickness of 10 nm. The observed lattice deformation was well explained by the incorporation of hydrostatic strains due to point defects. The results indicate that the control of point defects in the initial stage of growth is important for fabricating GaN-based optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Nanoscale femtosecond imaging of transient hot solid density plasmas with elemental and charge state sensitivity using resonant coherent diffraction

Here, we propose to exploit the low energy bandwidth, small wavelength, and penetration power of ultrashort pulses from XFELs for resonant Small Angle Scattering (SAXS) on plasma structures in laser excited plasmas. Small angle scattering allows to detect nanoscale density fluctuations in forward scattering direction. Typically, the SAXS signal from laser excited plasmas is expected to be dominated by the free electron distribution. We propose that the ionic scattering signal becomes visible when the X-ray energy is in resonance with an electron transition between two bound states (resonant coherent X-ray diffraction). In this case, the scattering cross-section dramatically increases so that the signal of X-ray scattering from ions silhouettes against the free electron scattering background which allows to measure the opacity and derived quantities with high spatial and temporal resolution, being fundamentally limited only by the X-ray wavelength and timing. Deriving quantities such as ion spatial distribution, charge state distribution, and plasma temperature with such high spatial and temporal resolution will make a vast number of processes in shortpulse laser-solid interaction accessible for direct experimental observation, e.g., hole-boring and shock propagation, filamentation and instability dynamics, electron transport, heating, and ultrafast ionization dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Time-domain model of gyroklystrons with diffraction power input and output

A time-domain theory of gyroklystrons with diffraction input and output has been developed. The theory is based on the description of the wave excitation and propagation by a parabolic equation. The results of the simulations are in good agreement with the experimental studies of two-cavity gyroklystrons operating at the first and second cyclotron harmonics. Along with the basic characteristics of the amplification regimes, such as the gain and efficiency, the developed method makes it possible to define the conditions of spurious self-excitation and frequency-locking by an external signal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗