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At least 505 records · Page 28

Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties

A series of rare earth magnesium selenosilicates, RE3Mg 0.5 SiSe 7 (RE = Ce, Pr, Nd, Sm, Gd, Tb, Dy) were obtained as single crystal using the flux assisted boron chalcogen mixture (BCM) method. The structures of the crystals were determined by single-crystal X-ray diffraction. The RE3Mg 0.5 SiSe 7 series crystallizes in the hexagonal crystal system in the space group P6 3 . Polycrystalline powders were synthesized to perform physical property measurements. Magnetic measurements over the 2–300 K temperature range reveal that Ce 3 Mg 0.5 SiSe 7 and Gd 3 Mg 0.5 SiSe 7 exhibit paramagnetic behavior with negative Weiss constants (θ W = −14.50, θ W = −6.13 K, respectively). The optical properties of RE 3 Mg 0.5 SiSe 7 (RE = Ce, Pr, Nd, Sm, Gd) were measured by ultraviolet–visible (UV–vis) diffuse reflectance. Density functional theory (DFT) electronic structure calculations were performed. Furthermore, a second harmonic generation measurement was performed on a polycrystalline powder of Ce 3 Mg 0.5 SiSe 7 and was found to be SHG active with an efficiency of 0.11 times the standard potassium dihydrogen phosphate (KDP).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Novel solutions to low-frequency problems with geometrically designed beam-waveguide systems

The poor low-frequency performance of geometrically designed beam-waveguide (BWG) antennas is shown to be caused by the diffraction phase centers being far from the geometrical optics mirror focus, resulting in substantial spillover and defocusing loss. Two novel solutions are proposed: (1) reposition the mirrors to focus low frequencies and redesign the high frequencies to utilize the new mirror positions, and (2) redesign the input feed system to provide an optimum solution for the low frequency. A novel use of the conjugate phase-matching technique is utilized to design the optimum low-frequency feed system, and the new feed system has been implemented in the JPL research and development BWG as part of a dual S-/X-band (2.3 GHz/8.45 GHz) feed system. The new S-band feed system is shown to perform significantly better than the original geometrically designed system.

Imbriale, W. A.↗

Kitt Peak 60-cm vacuum telescope

A major new solar-research telescope conceived and built during a time of budget restraint is described. The observation of magnetic and velocity (circulation) field structure on a synoptic basis and with diffraction-limited resolution is the aim. New optical features include the use of oversize mirrors and windows to avoid thermal edge effects and the placement of the coelostat feed outside the vacuum, mainly for economy. The site selected has prevailing winds that clear thermals from these mirrors. Test data in the form of the system MTF and optical transmission, together with examples of full disk magnetograms and photoheliograms, show present performance capability. Measured MTF indicates a response of 0.2 at 1 sec of arc (whereas diffraction-limited response would be about 0.8). System transmission, including the accompanying spectrograph, is only 2-3% (wavelength 0.44-1.1 microns). Thus, both the optical quality and efficiency are subject to improvement.

Livingston, W. C.↗

Diffractive optical computing in free space

Abstract Structured optical materials create new computing paradigms using photons, with transformative impact on various fields, including machine learning, computer vision, imaging, telecommunications, and sensing. This Perspective sheds light on the potential of free-space optical systems based on engineered surfaces for advancing optical computing. Manipulating light in unprecedented ways, emerging structured surfaces enable all-optical implementation of various mathematical functions and machine learning tasks. Diffractive networks, in particular, bring deep-learning principles into the design and operation of free-space optical systems to create new functionalities. Metasurfaces consisting of deeply subwavelength units are achieving exotic optical responses that provide independent control over different properties of light and can bring major advances in computational throughput and data-transfer bandwidth of free-space optical processors. Unlike integrated photonics-based optoelectronic systems that demand preprocessed inputs, free-space optical processors have direct access to all the optical degrees of freedom that carry information about an input scene/object without needing digital recovery or preprocessing of information. To realize the full potential of free-space optical computing architectures, diffractive surfaces and metasurfaces need to advance symbiotically and co-evolve in their designs, 3D fabrication/integration, cascadability, and computing accuracy to serve the needs of next-generation machine vision, computational imaging, mathematical computing, and telecommunication technologies.

36 MATERIALS SCIENCE↗

High-throughput investigation of crystal-to-glass transformation of Ti–Ni–Cu ternary alloy

A high-throughput investigation of metallic glass formation via solid-state reaction was reported in this paper. Combinatorial multilayered thin-film chips covering the entire Ti-Ni-Cu ternary system were prepared using ion beam sputtering technique. Microbeam synchrotron X-ray diffraction (XRD) and X-ray fluorescence (XRF) measurements were conducted, with 1,325 data points collected from each chip, to map out the composition and the phase constitution before and after annealing at 373 K for 110 hours. The composition dependence of the crystal-to-glass transition by solid-state reaction was surveyed using this approach. The resulting composition-phase map is consistent with previously reported results. Time-of-flight secondary ion mass spectroscopy (ToF-SIMS) was performed on the representative compositions to determine the inter-diffusion between layers, the result shows that the diffusion of Ti is the key factor for the crystal-to-glass transition. In addition, both layer thickness and layer sequence play important roles as well. This work demonstrates that combinatorial chip technique is an efficient way for systematic and rapid study of crystal-to-glass transition for multi-component alloy systems.

36 MATERIALS SCIENCE↗

Achieving Balanced Crystallization Kinetics of Donor and Acceptor by Sequential-Blade Coated Double Bulk Heterojunction Organic Solar Cells

Sequential deposition has great potential to achieve high performance in organic solar cells due to the resulting well-controlled vertical phase separation. In this work, double bulk heterojunction organic solar cells are fabricated by sequential-blade cast in ambient conditions. Probed by the in situ grazing incidence X-ray diffraction and in situ UV–vis absorption measurements, the seq-blade system exhibits a different tendency from each of the binary films during the film formation process. Due to the extensive aggregation of FOIC, the binary PBDB-T:FOIC film displays a strong and large phase separation, resulting in low current density (J sc) and unsatisfactory power conversion efficiency. In the seq-blade cast system, the bottom layer PBDB-T:IT-M produces many crystal nuclei for the top layer PBDB-T:FOIC, so the PBDB-T molecules are able to crystallize easily and quickly. Balanced crystallization kinetics between polymer and small molecule and an ideal percolation network in the film are observed. In addition, the balanced crystallization kinetics are favorable toward realizing lower recombination loss through charge transport processes.

14 SOLAR ENERGY↗

Austenitic parent grain reconstruction in martensitic steel using deep learning

In this work we develop a deep convolutional architecture to estimate the prior austenite structure from observed martensite electron backscatter diffraction micrographs. A novel data augmentation strategy randomizes the global reference coordinate system which makes it possible to train our model from only four micrographs. The model is much faster than algorithmic approaches and generalizes well when applied to micrographs of a different material. Empirical evidence suggests the efficacy of the model depends on the scale of the microstructure and receptive field of the vision model. Furthermore, this work demonstrates that modern computer vision approaches are well suited for capturing complex spatial-orientation patterns present in orientation imaging micrographs.

36 MATERIALS SCIENCE↗

Probing the subtle differences between promethium and curium

Curium and promethium share similar chemical and physical properties thereby complicating their separation. Co-located processing at Oak Ridge National Laboratory results in curium contamination of the fission product stream containing promethium. To gain insight into the difficulty of this separation, the fundamental properties of these elements are experimentally and computationally probed in a 2,2’:6’,2”-terpyridine crystal system. Analysis of the isostructural compounds via single crystal X-ray diffraction and quantum theory of atoms in molecules reveals that bonding between promethium and curium is quite similar in this particular structure type. The small differences in the analysis of these two elements in this isostructural series sheds light on the difficulty required to separate the elements from each other. More so, this study develops the fundamental chemistries of two rare elements in the solid state and experimentally portrays the often-omitted position of promethium within the lanthanide series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crystal and magnetic structures of magnetic topological insulators MnBi 2 Te 4 and MnBi 4 Te 7

Using single-crystal neutron diffraction, we present a systematic investigation of the crystal structure and magnetism of the van der Waals topological insulators MnBi 2 Te 4 and MnBi 4 Te 7 , where rich topological quantum states have been recently predicted and observed. Structural refinements reveal that considerable Bi atoms occupied on the Mn sites in both materials, distinct from the previously reported antisite disorder. We show unambiguously that MnBi 2 Te 4 orders antiferromagnetically below 24 K, featured by a magnetic symmetry R I - 3 c , while MnBi 4 Te 7 is antiferromagnetic below 13 K with a magnetic space group P c - 3 c 1 . They both present antiferromagnetically coupled ferromagnetic layers with spins along the c axis. We put forward a stacking rule for the crystal structure of an infinitely adaptive series MnBi 2 n Te 3 n + 1 ( n ≥ 1 ) with a building unit of [ Bi 2 Te 3 ] . Overall, by comparing the magnetic properties between MnBi 2 Te 4 and MnBi 4 Te 7 , together with recent density-functional theory calculations, we concluded that a two-dimensional magnetism limit might be realized in the derivatives. Our work may promote theoretical studies of topological magnetic states in the series of MnBi 2 n Te 3 n + 1 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Focused Ion Beam analysis of non radioactive samples [PowerPoint]

The presentation includes various images to illustrate the analysis. Helios G4 Plasma FIB: Xe ion columns mills material 30 times faster than Ga; Options include: Energy Dispersive Spectroscopy (EDS), Wavelength Dispersive spectroscopy (WDS) Electron backscattered Diffraction (EBSD), Time of Flight Sims (ToF SIMS), Inert gas/vacuum sample transfer system; Excels at micromachining and collecting 3D datasets using various detection systems.

42 ENGINEERING↗

Transmission media effects on precise Doppler tracking

The effects of the transmission media - the earth's troposphere and ionosphere, and the solar wind - on precise Doppler tracking are discussed. The charged particle effects can be largely removed by dual frequency observations; however there are limitations to these corrections (besides system noise and/or finite integration times) including the effects of magnetic fields, diffraction, and differential refraction, all of which must be carefully evaluated. The earth's troposphere can contribute an error of delta f/f approximately 10 to the minus 14th power.

Callahan, P. S.↗

Crystal structure and density of helium to 232 kbar

The properties of helium and hydrogen at high pressure are topics of great interest to the understanding of planetary interiors. These materials constitute 95 percent of the entire solar system. A technique was presented for the measurement of X-ray diffraction from single-crystals of low-Z condenses gases in a diamond-anvil cell at high pressure. The first such single-crystal X-ray diffraction measurements on solid hydrogen to 26.5 GPa were presented. The application of this technique to the problem of the crystal structure, equation of state, and phase diagram of solid helium is reported. Crucial for X-ray diffraction studies of these materials is the use of a synchrotron radiation source which provides high brillance, narrow collimation of the incident and diffracted X-ray beams to reduce the background noise, and energy-dispersive diffraction techniques with polychromatic (white) radiation, which provides high detection efficiency.

Mao, H. K.↗

Synthesis and characterization of high-Tc superconductors in the Tl-Ca-Ba-Cu-O system

Both Tl2Ca2Ba2Cu3O10 and TlCa3BaCu3O8.5 are investigated for superconductivity as a function of the sintering temperature, time, atmosphere, and quench rate in an effort to synthesize the high-Tc superconducting phase in the thallium system. The samples are characterized by electrical resistivity measurements, X-ray diffraction, and scanning electron microscopy. Samples of starting composition Tl2Ca2Ba2Cu3O10 fired in air at 860-900 C and rapidly quenched show a Tc of 96-107 K. In contrast, specimens of starting composition TlCa3BaCu3O8.5 when baked at 900 C and slowly cooled in oxygen superconduct at 116 K and above and consist of Tl2Ca2Ba2Cu3O(10+x) as the dominant phase. The results also show that, in contrast to the case of YBa2Cu3O(7-x), doping with a small concentration of fluorine sharpens the resistive transition and produces a large Tc increase in thallium-based superconductors.

Bansal, Narottam P.↗

Lattice Dynamics of Colloidal Crystals During Photopolymerization of Acrylic Monomer Matrix

Polymerization process are the major contributors for observed lattice compression and lattice disorder of the Crystalline Colloidal Arrays (CCA) of silica spheres in polymerized acrylic/methacrylic ester films. The effect of orientation of photocell with respect to the readiation source on Bragg diffraction of CCA indicated the presence of convective stirring in thin fluid system during the photopolymerization that deleteriously affect the periodic array structures. To devise reproducible and more efficient optical filters, experimental methods to minimize or eliminate convective instabilities in monomeric dispersions during polymerization are suggested.

Sunkara, Hari B.↗

Determination of a Two-Phase Structure of Nanocrystals: GaN and SiC

The properties of nano-crystalline materials are critically dependent on the structure of the constituent grains. Experimental conditions necessary to perform structural analysis of nanocrystalline materials as a two-phase core-surface shell system are discussed. It is shown, that a standard X-ray diffraction measurements and analysis are insufficient and may lead to incorrect conclusions as to the real structure of the materials. A new method of evaluation of powder diffraction data based on the analysis of the shift of the Bragg reflections from their perfect-lattice positions was developed. "Apparent lattice parameters" quantity, alp, was introduced and calculated from the actual positions of each individual Bragg reflection. The alp values plotted versus diffraction vector (Q) show characteristic features that are used for evaluation of the experimental results. The study was based on modeling of nano-grains and simulations of theoretical intensity profiles using the Debye functions. The method was applied to the analysis of synchrotron X-ray diffraction data of GaN and SiC nanocrystals. A presence of strained surface shell and a considerable internal pressure (GaN) in the nanoparticles was concluded.

Palosz, W.↗

Fresnel Lens

Fresnel lenses span the full range of sizes from lens a few micrometers in diameter to lens several meters in diameter. These lenses are utilized in various fields including optical communication, theatrical lighting, office equipment, video entertainment systems, solar concentrators, and scientific research instruments. These lenses function either as diffractive or refractive optical elements depending on the geometrical feature size of the lens. The basic functions of these lenses is described followed by an overview of fabrication methods. A summary of applications is then provided illustrating the rich variety of applications for which fresnel lenses may be designed to fulfill.

Watson, Michael D.↗

Small Particle Response to Fluid Motion Using Tethered Particles to Simulate Microgravity

This paper reports on ground based work conducted to support the Spaceflight Definition project SHIVA (Spaceflight Holography Investigation in a Virtual Apparatus). SHIVA will advance our understanding of the movement of a particle in a fluid. Gravity usually dominates the equations of motion, but in microgravity as well as on earth other terms can become important. Through an innovative application of fractional differential equations, two members of our team produced the first analytical solution of a fundamental equation of motion, which had only been solved numerically or by approximation before. The general solution predicts that the usually neglected history term becomes important in particle response to a sinusoidal fluid movement when the characteristic viscous time is in the same order as the fluid oscillation period and peaks when the two times are equal. In this case three force terms, the Stokes drag, the added mass, and the history drag must all be included in predicting particle movement. We have developed diagnostic recording methods using holography to save all of the particle field data, allowing the experiment to essentially be transferred from space back to earth in what we call the virtual apparatus for on-earth microgravity experimentation. We can quantify precisely the three-dimensional motion of sets of particles, allowing us to test and apply the new analytical solutions. We are examining the response of particles up to 2 mm radius to fluid oscillation at frequencies up to 80 Hz with amplitudes up to 200 microns. Ground studies to support the flight development program have employed various schemes to simulate microgravity. One of the most reliable and meaningful methods uses spheres tethered to a fine hair suspended in the fluid. We have also investigated particles with nearly neutral buoyancy. Recordings are made at the peak amplitudes of vibration of the cell providing a measure of the ratio of fluid to particle amplitude. The experiment requires precise location of the particle to within microns during recording, and techniques for achieving this are one of the project challenges. Focused microscopic images and diffraction patterns are used. To make the experiment more versatile, the spaceflight system will record holograms both on film and electronically. A cross correlation procedure enables sub pixel accuracies for electronic recordings, partially accommodating the lower spatial resolution of CCDs. The electronic holograms can be down linked providing real time data. Results of the ground experiments, the flight experiment design, and data analysis procedures are reported.

Trolinger, James↗