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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Diffraction data from aerosolized Coliphage PR772 virus particles imaged with the Linac Coherent Light Source

Single Particle Imaging (SPI) with intense coherent X-ray pulses from X-ray free-electron lasers (XFELs) has the potential to produce molecular structures without the need for crystallization or freezing. Here we present a dataset of 285,944 diffraction patterns from aerosolized Coliphage PR772 virus particles injected into the femtosecond X-ray pulses of the Linac Coherent Light Source (LCLS). Additional exposures with background information are also deposited. The diffraction data were collected at the Atomic, Molecular and Optical Science Instrument (AMO) of the LCLS in 4 experimental beam times during a period of four years. The photon energy was either 1.2 or 1.7 keV and the pulse energy was between 2 and 4 mJ in a focal spot of about 1.3 μm x 1.7 μm full width at half maximum (FWHM). The X-ray laser pulses captured the particles in random orientations. The data offer insight into aerosolised virus particles in the gas phase, contain information relevant to improving experimental parameters, and provide a basis for developing algorithms for image analysis and reconstruction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Atomic-scale diffractive imaging of sub-cycle electron dynamics in condensed matter

For interaction of light with condensed-matter systems, we show with simulations that ultrafast electron and X-ray diffraction can provide a time-dependent record of charge-density maps with sub-cycle and atomic-scale resolutions. Using graphene as an example material, we predict that diffraction can reveal localised atomic-scale origins of optical and electronic phenomena. Here, we point out nontrivial relations between microscopic electric current and density in undoped graphene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Multichannel photodissociation dynamics in CS 2 studied by ultrafast electron diffraction

In this study, the structural dynamics of photoexcited gas-phase carbon disulfide (CS 2 ) molecules are investigated using ultrafast electron diffraction. The dynamics were triggered by excitation of the optically bright 1 B 2 ( 1 Σ u + ) state by an ultraviolet femtosecond laser pulse centred at 200 nm. In accordance with previous studies, rapid vibrational motion facilitates a combination of internal conversion and intersystem crossing to lower-lying electronic states. Photodissociation via these electronic manifolds results in the production of CS fragments in the electronic ground state and dissociated singlet and triplet sulphur atoms. The structural dynamics are extracted from the experiment using a trajectory-fitting filtering approach, revealing the main characteristics of the singlet and triplet dissociation pathways. Finally, the effect of the time-resolution on the experimental signal is considered and an outlook to future experiments provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Morphological and microstructural studies on aluminizing coating of carbon steel

Hot dip aluminizing is one of the most effective methods of surface protection for steels and is gradually gaining popularity. The morphology and microstructure of an inter-metallic layer form on the surface of low carbon steel by hot dip aluminization treatment had been studied in detail. This effect has been investigated using optical and scanning electron microscopy, and X-ray diffraction. The result shows that the reaction between the steel and the molten aluminium leads to the formation of Fe–Al inter-metallic compounds on the steel surface. X-ray diffraction and electron microscopic studies showed that a two layer coating was formed consisting of an external Al layer and a (Fe{sub 2}Al{sub 5}) inter metallic on top of the substrate after hot dip aluminizing process. The inter-metallic layer is ‘thick’ and exhibits a finger-like growth into the steel. Microhardness testing shown that the intermetallic layer has high hardness followed by steel substrate and the lowest hardness was Al layer.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis and growth of HgI{sub 2} nanocrystals in a glass matrix: Heat treatment

Mercury iodide (HgI{sub 2}) nanocrystals (NCs) were successfully grown in a barium phosphate glass matrix synthesized by fusion. Growth control of HgI{sub 2} NCs was investigated by Atomic Force Microscopy (AFM), Optical Absorption (OA), Fluorescence (FL), and X-ray diffraction (XRD). AFM images reveal the formation of HgI{sub 2} nanocrystals in host glass matrix. HgI{sub 2} NCs growth was evidenced by an OA and FL band red-shift with increasing annealing time. XRD measurements revealed the β crystalline phase of the HgI{sub 2} nanocrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Characterization of nanocrystalline ZnO:Al films by sol-gel spin coating method

Nanocrystalline ZnO films doped with aluminium by sol-gel spin coating method have been investigated using optical transmittance UV-Vis and X-ray diffraction (X-RD) measurements. ZnO films were prepared using zinc acetate dehydrate (Zn(CH{sub 3}COO){sub 2}@@‡2H{sub 2}O), ethanol, and diethanolamine (DEA) as a starting material, solvent, and stabilizer, respectively. For doped films, AlCl{sub 3} was added to the mixture. The ZnO:Al films were deposited on a transparent conductive oxide (TCO) substrate using spin coating technique at room temperature with a rate of 3000 rpm in 30 sec. The deposited films were annealed at various temperatures from 400°C to 600°C during 60 minutes. The transmittance UV-Vis measurement results showed that after annealing at 400°C, the energy band gap profile of nanocrystalline ZnO:Al film was a blue shift. This indicated that the band gap of ZnO:Al increased after annealing due to the increase of crystalline size. As the annealing temperature increased the bandgap energy was a constant. In addition to this, there was a small oscillation occurring after annealing compared to the as–grown samples. In the case of X-RD measurements, the crystalinity of the films were amorphous before annealing, and after annealing the crystalinity became enhance. Also, X-RD results showed that structure of nanocrystalline ZnO:Al films were hexagonal polycrystalline with lattice parameters are a = 3.290 Å and c = 5.2531 Å.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal annealing study on P3HT: PCBM based bulk heterojunction organic solar cells using impedance spectroscopy

Recently, Thermal annealing is an important process for bulk heterojunction organic solar cells (BHJ OSCs) to improve the device efficiency and performance of the organic solar cells. Here in, we have examined the changes in the efficiency and morphology of P3HT: PCBM film according to the thermal annealing temperature to find the changes during the annealing process by measuring the optical absorption, atomic force microscope and X-ray diffraction. We also investigated the effect of different annealing process conditions (without, pre- and post-annealing) on the device performance of the inverted bulk heterojunction organic solar cells consist the structure of ITO/ ZnO / P3HT: PCBM / MoO{sub 3}/ Al by measuring AC impedance characteristics. Particularly, the power conversion efficiency (PCE), crystalline nature of the polymer, light absorption and the surface smoothness of P3HT: PCBM films are significantly improved after the annealing process. These results indicated the improvement in terms of PCE, interface smoothness between the P3HT: PCBM and MoO{sub 3} layers of the post annealed device originated from the decrease of series resistance between P3HT: PCBM layer and Al electrodes, which could be due to decrease in the effective life time of charge carriers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Structural dynamics of LaVO3 on the nanosecond time scale

Due to the strong dependence of electronic properties on the local bonding environment, a full characterization of the structural dynamics in ultrafast experiments is critical. Here, we report the dynamics and structural refinement at nanosecond time scales of a perovskite thin film by combining optical excitation with time-resolved X-ray diffraction. This is achieved by monitoring the temporal response of both integer and half-integer diffraction peaks of LaVO3 in response to an above-band-gap 800 nm pump pulse. We find that the lattice expands by 0.1% out of plane, and the relaxation is characterized by a biexponential decay with 2 and 12 ns time scales. We analyze the relative intensity change in half-integer peaks and show that the distortions to the substructure are small: the oxygen octahedral rotation angles decrease by ∼0.3° and La displacements decrease by ∼0.2 pm, which directly corresponds to an ∼0.8° increase in the V-O-V bond-angles, an in-plane V-O bond length reduction of ∼0.3 pm, and an unchanged out-of-plane bond length. This demonstration of tracking the atomic positions in a pump-probe experiment provides experimentally accessible values for structural and electronic tunability in this class of materials and will stimulate future experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanical design of a parallel flexure-based RADSI instrument for curved x-ray mirror metrology

Modern synchrotron x-ray beamlines demand reflective optics with higher surface profile accuracy to achieve diffraction-limited focusing. This necessitates advanced metrology instruments capable of delivering repeatable measurements in the nanometer to sub-nanometer range. Slope ranges exceeding 15 mrad (0.86°) and greater pose significant challenges for mirror metrology using conventional interferometric methods. Here, to address this, we present a new relative angle determinable stitching interferometry instrument featuring a parallel flexure-based mechanical design. This approach enhances vibration and thermal stability while maintaining a compact and lightweight system. Initial measurements of a cylindrical mirror with a 16 m radius of curvature and a slope range of 5 mrad demonstrate nanometer-level repeatability. Comprehensive system characterization suggests the potential for achieving sub-nanometer repeatability with further refinement to the instrument.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Synthesis, disorder and Ising anisotropy in a new spin liquid candidate PrMgAl 11 O 19

Here we report the successful synthesis of large single crystals of triangular frustrated PrMgAl 11 O 19 using the optical floating zone technique. Single crystal x-ray diffraction (XRD) measurements unveiled the presence of quenched disorder within the mirror plane, specifically ~7% of Pr ions deviating from the ideal 2d site towards the 6h site. Magnetic susceptibility measurements revealed an Ising anisotropy with the c-axis being the easy axis. Despite a large spin–spin interaction that develops below ~10 K and considerable site disorder, the spins do not order or freeze down to at least 50 mK. The availability of large single crystals offers a distinct opportunity to investigate the exotic magnetic state on a triangular lattice with an easy axis out of the plane.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Light-activated Gigahertz Ferroelectric Domain Dynamics

Using time- and spatially-resolved hard X-ray diffraction microscopy, the striking structural and electrical dynamics upon optical excitation of a single crystal of BaTiO 3 are simultaneously captured on sub-nanoseconds and nanoscale within individual ferroelectric domains and across walls. A large emergent photo-induced electric field of up to 20 million volts per meter is discovered in a surface layer of the crystal, which then drives polarization and lattice dynamics that are dramatically distinct in a surface layer versus bulk regions. A dynamical phase-field modeling (DPFM) method is developed that reveals the microscopic origin of these dynamics, leading to GHz polarization and elastic waves travelling in the crystal with sonic speeds and spatially varying frequencies. The advance of spatiotemporal imaging and dynamical modeling tools open opportunities of disentangling ultrafast processes in complex mesoscale structures such as ferroelectric domains

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Properties of antimony doped ZnO thin films deposited by spray pyrolysis technique

Antimony (Sb) doped zinc oxide (ZnO) thin films were deposited on the glass substrate at 450°C using spray pyrolysis technique. Effect of Sb doping on surface morphology structural, optical and electrical properties were studied. X-ray diffraction (XRD) analysis showed that both the undoped and doped ZnO thin films are polycrystalline in nature with (101) preferred orientation. SEM analysis showed a change in surface morphology of Sb doped ZnO thin films. Doping results in a marked increase in conductivity without affecting the transmittance of the films. ZnO films prepared with 3 at % Sb shows the lowest resistivity of 0.185 Ohm cm with a Hall mobility of 54.05 cm{sup 2} V{sup –1} s{sup –1}, and a hole concentration of 6.25 × 10{sup 17} cm{sup –3}.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Author Contribution to the Pu Handbook II: Chapter 37 LLNL Integrated Sample Preparation Glovebox (TEM) Section

The development of our Integrated Actinide Sample Preparation Laboratory (IASPL) commenced in 1998 driven by the need to perform transmission electron microscopy studies on naturally aged plutonium and its alloys looking for the microstructural effects of the radiological decay process (1). Remodeling and construction of a laboratory within the Chemistry and Materials Science Directorate facilities at LLNL was required to turn a standard radiological laboratory into a Radiological Materials Area (RMA) and Radiological Buffer Area (RBA) containing type I, II and III workplaces. Two inert atmosphere dry-train glove boxes with antechambers and entry/exit fumehoods (Figure 1), having a baseline atmosphere of 1 ppm oxygen and 1 ppm water vapor, a utility fumehood and a portable, and a third double-walled enclosure have been installed and commissioned. These capabilities, along with highly trained technical staff, facilitate the safe operation of sample preparation processes and instrumentation, and sample handling while minimizing oxidation or corrosion of the plutonium. In addition, we are currently developing the capability to safely transfer small metallographically prepared samples to a mini-SEM for microstructural imaging and chemical analysis. The gloveboxes continue to be the most crucial element of the laboratory allowing nearly oxide-free sample preparation for a wide variety of LLNL-based characterization experiments, which includes transmission electron microscopy, electron energy loss spectroscopy, optical microscopy, electrical resistivity, ion implantation, X-ray diffraction and absorption, magnetometry, metrological surface measurements, high-pressure diamond anvil cell equation-of-state, phonon dispersion measurements, X-ray absorption and emission spectroscopy, and differential scanning calorimetry. The sample preparation and materials processing capabilities in the IASPL have also facilitated experimentation at world-class facilities such as the Advanced Photon Source at Argonne National Laboratory, the European Synchrotron Radiation Facility in Grenoble, France, the Stanford Synchrotron Radiation Facility, the National Synchrotron Light Source at Brookhaven National Laboratory, the Advanced Light Source at Lawrence Berkeley National Laboratory, and the Triumph Accelerator in Canada.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2017

Studies on the Fe3+ Doping Effect on Structural, Optical and Catalytic Properties of Hydrothermally Synthesized TiO2 Photocatalyst

Pure TiO2 and Fe3+-TiO2 nanoparticles have been prepared by simple hydrothermal method with different Fe3+ concentrations. The synthesized nanoparticles are analysed to determine its structural, optical, morphological and compositional properties using X-ray diffraction, Raman, UV-DRS, photoluminescence, Mossbauer, XPS, TEM and SEM/EDS. The EDS micrograph confirms the existence of Fe3+ atoms in the TiO2 matrix with 0.85, 1.52 and 1.87 weight percent. The crystallite size and band gap decrease with increase in Fe3+concentration. The average particle size obtained from TEM is 7-11 nm which is in good agreement with XRD results. Raman bands at 640 cm-1, 517 cm-1 and 398 cm-1 further confirm pure phase anatase in all samples. XPS shows the proper substitutions of few sites of Ti4+ ions by Fe3+ ions in the TiO2 host lattice. The intensity of PL spectra for Fe3+-TiO2 shows a gradual decrease in the peak intensity with increasing Fe3+ concentration in TiO2, and it indicates lower recombination rate as Fe3+ ions increases. These nanoparticles are further studied for its photocatalytic activities using malachite green dye under UV light, visible light and sunlight.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Relevance of the Preparation of the Target for PLD on the Magnetic Properties of Films of Iron-Doped Indium Oxide

This paper concerns the importance of the preparation of the targets that may be used for pulsed laser deposition of iron-doped indium oxide films. Targets with a fixed concentration of iron are fabricated from indium oxide and iron metal or one of the oxides of iron, FeO, Fe3O4 and Fe2O3. Films from each target were ablated onto sapphire substrates at the same temperature under different oxygen pressures such that the thickness of the films was kept approximately constant. The films were studied using X-ray diffraction, X-ray absorption (both XANES and EXAFS), optical absorption and magnetic circular dichroism. The magnetic properties were measured with a SQUID magnetometer. At the lowest oxygen pressure, there was evidence that some of the iron ions in the films were in the state Fe2+, rather than Fe3+, and there was also a little metallic iron; these properties were accompanied by a substantial magnetisation. As the amount of the oxygen was increased, the number of defect phases and the saturation magnetisation was reduced and the band gap increased. In each case, we found that the amount of the oxygen that had been included in the target from the precursor added to the effect of adding oxygen in the deposition chamber. It was concluded that the amount of oxygen in the target due to the precursor was an important consideration but not a defining factor in the quality of the films.

(InFe)2O3↗
DOE OSTI2019

Preparation and Characterization of Microcellulose and Nanocellulose Fibers from Artemisia Vulgaris Bast

Artemisia vulgaris is an economic plant that is spreading widely in central China. Its unused bast generates a large amount of biomass waste annually. Utilizing the fibers in Artemisia vulgaris bast may provide a new solution to this problem. This research attempts to strengthen the understanding of Artemisia vulgaris by analyzing its fiber compositions and preparing micro- and nano-cellulose fibers, which can be used as raw materials for composites. In this work, Artemisia vulgaris bast powder (AP) and microcellulose and nanocellulose fibers (AMFs and ANFs) were produced and characterized by optical microscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD), thermogravimetric analysis (TG), and bacteriostatic test. The results indicated that cellulose, hemicellulose, and lignin were the main components in the Artemisia vulgaris bast. The cellulose content reached 40.9%. The Artemisia vulgaris single fibers were microcellulose fibers with an average length of 850.6 μm and a diameter of 14.4 μm. Moreover, the AMF had considerable antibacterial ability with an antibacterial ratio of 36.6%. The ANF showed a length range of 250–300 nm and a diameter of 10–20 nm, and it had a higher crystallinity (76%) and a lower thermal stability (initial degradation temperature of 183 °C) compared with raw ANF (233 °C). This study provides fundamental information on Artemisia vulgaris bast cellulose for its subsequent utilization.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1972

High resolution imagery with the large space telescope.

A number of general characteristics of a diffraction limited telescope are examined, giving attention to the optical system of the Stratoscope II instrument. The optical resolution of a telescope can be described in at least three different ways, involving the wavefront error, the optical transfer function, and the point spread function. The Stratoscope II tolerance budget and the performance of the instrument are discussed together with a goal for the resolution of the large space telescope (LST) which is to be designed. The very high resolving power of the LST will be utilized in many ways. The imagery of extended objects with low surface contrast is considered along with the photometry of very faint stars.

Danielson, R. E.↗
NASA NTRS1974

Change of blaze wavelength as a function of position on the surface of a concave grating

Conventional ruling of a concave diffraction grating with blaze angle constant relative to the optical axis produces a grating whose blaze wavelength changes continuously with displacement across the face of the ruled area. A simple explanation of the effect is given in terms of geometrical optics, and quantitative expressions are developed that relate the expected blaze-wavelength shift to the grating constant and aperture ratio. Results are compared with experimental efficiency measurements, and the magnitude of the effect in a typical grating is discussed.

Michels, D. J.↗