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At least 253 records · Page 14

Photocatalytic pure water splitting activities for ZnGa{sub 2}O{sub 4} synthesized by various methods

Highlights: • High temperature solid state reaction, hydrothermal, sol-gel methods were applied. • All ZnGa{sub 2}O{sub 4} samples show UV-light catalytic activities on pure water splitting. • Bulk ZnGa{sub 2}O{sub 4} has a good photocatalytic activity per specific surface area. • Sol-gel is a superior method to prepare nanosized ZnGa{sub 2}O{sub 4} with a high activity. • The AQY for SG-ZnGa{sub 2}O{sub 4} is 2.6% for pure water splitting under 313 nm irradiation. - Abstract: We studied and compared the photocatalytic water splitting performances for ZnGa{sub 2}O{sub 4} prepared by high temperature solid state reaction (HTSSR), hydrothermal (HY) and sol-gel (SG) methods. HTSSR-ZnGa{sub 2}O{sub 4} has a relative large photocatalytic activity per surface area (1.6 μmol/h/m{sup 2}) in pure water by UV irradiation due to its high crystallinity. The HY- and SG-samples both have small particle sizes (20∼30 nm) and therefore high surface area (20 and 29 m{sup 2}/g, respectively), which leads to superior photocatalytic H{sub 2} evolution rates per unit mass (11.5 and 28.5 μmol/h/g). The apparent quantum yield of SG-ZnGa{sub 2}O{sub 4} for pure water splitting under 313 nm irradiation is 2.6%. The existence of substantial surface defects is the major problem for HY- and SG-ZnGa{sub 2}O{sub 4}. Consequently, the usage of sacrificial agents could greatly enhance the activities and indeed the H{sub 2} evolution rates in 20 Vol. % methanol aqueous solution increase to 100 and 142 μmol/h/g for HY- and SG-ZnGa{sub 2}O{sub 4}, respectively.

36 MATERIALS SCIENCE↗

First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicene shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ∼10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On the relative bias of void tracers in the Dark Energy Survey

Luminous tracers of large-scale structure are not entirely representative of the distribution of mass in our Universe. As they arise from the highest peaks in the matter density field, the spatial distribution of luminous objects is biased towards those peaks. On large scales, where density fluctuations are mild, this bias simply amounts to a constant offset in the clustering amplitude of the tracer, known as linear bias. In this work we focus on the relative bias between galaxies and galaxy clusters that are located inside and in the vicinity of cosmic voids, extended regions of relatively low density in the large-scale structure of the Universe. With the help of mock data we verify that the relation between galaxy and cluster overdensity around voids remains linear. Hence, the void-centric density profiles of different tracers can be linked by a single multiplicative constant. This amounts to the same value as the relative linear bias between tracers for the largest voids in the sample. For voids of small sizes, which typically arise in higher density regions, this constant has a higher value, possibly showing an environmental dependence similar to that observed for the linear bias itself. We confirm our findings by analysing data obtained during the first year of observations by the Dark Energy Survey. As a side product, we present the first catalogue of three-dimensional voids extracted from a photometric survey with a controlled photo-z uncertainty. Finally, our results will be relevant in forthcoming analyses that attempt to use voids as cosmological probes.

79 ASTRONOMY AND ASTROPHYSICS↗

SULI Research Report

Acoustic levitation allows for the containerless manipulation of small samples limited by density, size, and shape. Modern acoustic levitators are either constructed with Langevin horns, which need to be machined to high tolerance and require at least 100V, or ultrasonic transducers, which are robust to changes in temperature and require low voltage. We investigated the ability of the TinyLev, a commercially available single axis levitator, and prototyped a two-axis levitator. Both the TinyLev and our two-axis levitator employ phased arrays of transducers and operate at 40 kHz. Models produced with the Python toolbox Levitate showed the characteristic nodes of the TinyLev and found two previously unpublished “traps” (stable local pressure minima) of the twoaxis levitator. We plan to use these levitators at the Advanced Photon Source (APS) to study a variety of samples, via white beam diffraction and high speed imaging. It is our goal to calculate the radial distribution function with respect to temperature across phase transitions.

42 ENGINEERING↗

Gravity Sensors and the Role of 3-D Visualization and Simulation in Biomedical Research

Ross 3.0 software was developed in the Biocomputation Center for semi-automated reconstruction of objects from serial thin sections. Data are captured directly from a transmission electron microscope via a video camera to a graphics workstation where the sections are mosaicked and contours are traced, registered and displayed by semi-automated methods. For the first time, macular type II cells are described completely for their innervation patterns. The purposes are to learn more about the fundamental circuitry of the macula and to demonstrate whether the terminals are altered morphologically by space flight. Current examples, from the medial part of the macula, are from maculas collected in-flight on the Space Life Sciences-2 mission, 4.5 hrs post-flight, and from a ground control. Results show that the typical type 11 cell receives processes from up to six nearby calyces or afferents. Nearly all the processes are elongated; some have bouton-like swellings and numerous vesicles. Multiple (2 to 4) processes from a single calyx to a type II cell are common, and approx. 1/3 of the processes innervate 2 type II cells of a neighboring cluster of 3 cells. About 2% of type II cells resemble type I cells morphologically and are surrounded by demicalyces. Differences in size or shape of the terminals under flight conditions could not be determined because the sample size is still too small; but it is clear that reconstruction methods provide insights into macular circuitry not obtainable by other techniques. The results demonstrate a morphological basis for interactions between adjacent receptive fields, through feedback-feedforward connections, during preprocessing of linear acceleratory information by the maculas. While the methods are currently being tested using vestibular maculas as the model system, it is clear that the technology is applicable to any tissue that can be physically or optically sectioned. ROSS software has already been implemented for reconstructing objects from tissues studied by confocal and by transmitted light microscopy, and research into magnetic resonance imaging-computational tomography combined visualization are underway.

Ross, Muriel D.↗

Surveillance Test Articles Development

Overview of previous work at ANL: • Initial designs tested with A617 driver • 3 families of specimens: - Large: demonstrate failure during test - Small: demonstrate realistic-sized samples - Reference: to validate the strain-gauge thermal strain correction • Thermal cycling between 500 and 650, over a period of about 200 minutes • Demonstrated basic surveillance approach • Large specimens failed in gauge section • The bimetallic welds appeared intact at the end of testing (316H-A617) • Gradual decrease in strain range over time • Strain gauge reliability was an issue: at least one gauge failed • Failure mode (buckling) was not what we had expected

36 MATERIALS SCIENCE↗

Nanoscale Consequences of Irradiation Investigated by RAD-AFM (Final Report)

To assess the feasibility of measuring material property changes induced by ion irradiation one pristine and three legacy HT-9 samples were sectioned and polished. The polish protocol was first optimized using a pristine unirradiated HT-9 sample before polishing the ion irradiated samples as the spot size was small and repeated polishing could remove the ion irradiated region entirely. AFM tapping mode was used to assess the surface quality after each polish. AFM based hardness mapping was optimized for new diamond tips specifically for use with the HT-9 samples to compensate for differences in grain size, precipitates, and heterogeneity of hardness relative to past samples. In addition, a hardness calibration protocol was developed using NIST copper, nickel, and steel reference materials. Co-located SEM-EDS and AFM analysis was used to verify the ion irradiated edge using the silver/tungsten coating as a fiducial mark. Once benchmarked, the hardness across the ion irradiated cross section, a comparison of bulk hardness according to neutron irradiation, and the hardness of the ion irradiated surface edge was measured.

36 MATERIALS SCIENCE↗

The Grism Lens-Amplified Survey from space (GLASS). II. gas-phase metallicity and radial gradients in an interacting system at Z ≃ 2

We present spatially resolved gas-phase metallicity for a system of three galaxies at z = 1.85 detected in the Grism Lens-Amplified Survey from Space (GLASS). The combination of Hubble Space Telescope (HST’s) diffraction limit and strong gravitational lensing by the cluster MACS J0717+3745 results in a spatial resolution of ≃200–300 pc, enabling good spatial sampling despite the intrinsically small galaxy sizes. The galaxies in this system are separated by ≃50–200 kpc in projection and are likely in an early stage of interaction, evidenced by relatively high specific star formation rates. Their gas-phase metallicities are consistent with larger samples at similar redshift, star formation rate (SFR), and stellar mass. We obtain a precise measurement of the metallicity gradient for one galaxy and find a shallow slope compared to isolated galaxies at high redshift, consistent with a flattening of the gradient due to gravitational interaction. An alternative explanation for the shallow metallicity gradient and elevated SFR is rapid recycling of metal-enriched gas, but we find no evidence for enhanced gas-phase metallicities which should result from this effect. Notably, the measured stellar masses logM{sub ∗}/M = 7.2–9.1 probe to an order of magnitude below previous mass–metallicity studies at this redshift. The lowest mass galaxy has properties similar to those expected for Fornax at this redshift, indicating that GLASS is able to directly study the progenitors of local group dwarf galaxies on spatially resolved scales. Larger samples from the full GLASS survey will be ideal for studying the effects of feedback, and the time evolution of metallicity gradients. These initial results demonstrate the utility of HST spectroscopy combined with gravitational lensing for characterizing resolved physical properties of galaxies at high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

A spectroelectrochemical cell for ultrafast two-dimensional infrared spectroscopy

A spectroelectrochemical cell has been designed to combine electrochemistry and ultrafast two-dimensional infrared (2D-IR) spectroscopy, which is a powerful tool to extract structure and dynamics information on the femtosecond to picosecond time scale. Our design is based on a gold mirror with the dual role of performing electrochemistry and reflecting IR light. To provide the high optical surface quality required for laser spectroscopy, the gold surface is made by electron beam evaporation on a glass substrate. Electrochemical cycling facilitates in situ collection of ultrafast dynamics of redox-active molecules by means of 2D-IR. The IR beams are operated in reflection mode so that they travel twice through the sample, i.e., the signal size is doubled. This methodology is optimal for small sample volumes and successfully tested with the ferricyanide/ferrocyanide redox system of which the corresponding electrochemically induced 2D-IR difference spectrum is reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Bosonic field digitization for quantum computers

Quantum simulation of quantum field theory is a flagship application of quantum computers that promises to deliver capabilities beyond classical computing. The realization of quantum advantage will require methods that can accurately predict error scaling as a function of the resolution and parameters of the model and that can be implemented efficiently on quantum hardware. In this paper, we address the representation of lattice bosonic fields in a discretized field amplitude basis, develop methods to predict error scaling, and present efficient qubit implementation strategies. A low-energy subspace of the bosonic Hilbert space, defined by a boson occupation number cutoff, can be represented with exponentially good accuracy by a low-energy subspace of a finite-size Hilbert space. The finite representation construction and the associated errors are directly related to the accuracy of the Nyquist-Shannon sampling and the finite Fourier transforms of the boson number states in the field and the conjugate-field bases. We analyze the relation between the boson mass, the discretization parameters used for wave function sampling, and the finite representation size. Numerical simulations of small size Φ 4 problems demonstrate that the boson mass optimizing the sampling of the ground state wave function is a good approximation to the optimal boson mass yielding the minimum low-energy subspace size. However, we find that accurate sampling of general wave functions does not necessarily result in accurate representation. Finally, we develop methods for validating and adjusting the discretization parameters to achieve more accurate simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Some physical properties of Apollo 12 lunar samples

The size distribution of the lunar fines is measured, and small but significant differences are found between the Apollo 11 and 12 samples as well as among the Apollo 12 core samples. The observed differences in grain size distribtuion in the core samples are related to surface transportation processes, and the importance of a sedimentation process versus meteoritic impact gardening of the mare grounds is discussed. The optical and the radio frequency electrical properties are measured and are also found to differ only slightly from Apollo 11 results.

Gold, T.↗

Phase transformations in a Cu−Cr alloy induced by high pressure torsion

Phase transformations induced by high pressure torsion (HPT) at room temperature in two samples of the Cu-0.86 at.% Cr alloy, pre-annealed at 550 °C and 1000 °C, were studied in order to obtain two different initial states for the HPT procedure. Observation of microstructure of the samples before HPT revealed that the sample annealed at 550 °C contained two types of Cr precipitates in the Cu matrix: large particles (size about 500 nm) and small ones (size about 70 nm). The sample annealed at 1000 °C showed only a little fraction of Cr precipitates (size about 2 μm). The subsequent HPT process resulted in the partial dissolution of Cr precipitates in the first sample and dissolution of Cr precipitates with simultaneous decomposition of the supersaturated solid solution in another. However, the resulting microstructure of the samples after HPT was very similar from the standpoint of grain size, phase composition, texture analysis and hardness measurements. - Highlights: • Cu−Cr alloy with two different initial states was deformed by HPT. • Phase transformations in the deformed materials were studied. • SEM, TEM and X-ray diffraction techniques were used for microstructure analysis. • HPT leads to formation the same microstructure independent of the initial state.

36 MATERIALS SCIENCE↗

Evidence of multiscale supercurrents in K-doped BaFe 2 As 2

K-doped BaAs 2 Fe 2 (K-Ba122) superconductor is a promising material for applications. However, it has been found challenging to achieve high critical current density (J c ) in untextured bulk sample. In this paper we investigated bulk samples prepared by varying the milling energy density, which affects the grain and grain boundary microstructures, and we investigated their magnetic performance to better understand what causes their different J c . We found that in our samples, which all have small grain size, T c does not appear directly correlated to J c . Moreover, AC susceptibility reveals in at least one case obvious signs of multiscale supercurrents, not caused by granularity but that directly influence the overall J c performance. Considering the microstructural features and the magnetization response we ascribed the J c differences to lack of connectivity on a larger scale due to nano-cracks at some grain boundaries, which subdivided the samples into macroscopic regions and inevitably limited the overall performance. We discuss possible routes to overcome those extrinsic current-blocking defects.

AC susceptibility↗

THE ARECIBO H II REGION DISCOVERY SURVEY

We report the detection of radio recombination line (RRL) emission using the Arecibo Observatory at X band (9 GHz, 3 cm) from 37 previously unknown H II regions in the Galactic zone 66 Degree-Sign {>=} l {>=} 31 Degree-Sign and | b | {<=} 1 Degree-Sign . This Arecibo H II Region Discovery Survey (Arecibo HRDS) is a continuation of the Green Bank Telescope (GBT) HRDS. The targets for the Arecibo HRDS have spatially coincident 24 {mu}m and 20 cm emission of a similar angular morphology and extent. To take advantage of Arecibo's sensitivity and small beam size, sources in this sample are fainter, smaller in angle, or in more crowded fields compared to those of the GBT HRDS. These Arecibo nebulae are some of the faintest H II regions ever detected in RRL emission. Our detection rate is 58%, which is low compared to the 95% detection rate for GBT HRDS targets. We derive kinematic distances to 23 of the Arecibo HRDS detections. Four nebulae have negative local standard of rest velocities and are thus unambiguously in the outer Galaxy. The remaining sources are at the tangent-point distance or farther. We identify a large, diffuse H II region complex that has an associated H I and {sup 13}CO shell. The {approx}90 pc diameter of the G52L nebula in this complex may be the largest Galactic H II region known, and yet it has escaped previous detection.

79 ASTRONOMY AND ASTROPHYSICS↗

Total Cross Sections as a Surrogate for Neutron Capture: An Opportunity to Accurately Constrain (n,γ) Cross Sections for Nuclides Beyond the Reach of Direct Measurements

There are many (n,γ) cross sections of great interest to radiochemical diagnostics and to nuclear astrophysics which are beyond the reach of current measurement techniques, and likely to remain so for the foreseeable future. In contrast, total neutron cross sections currently are feasible for many of these nuclides and provide almost all the information needed to accurately calculate the (n,γ) cross sections via the nuclear statistical model (NSM). I demonstrate this for the case of 151 Sm; NSM calculations constrained using average resonance parameters obtained from total cross section measurements made in 1975, are in excellent agreement with recent 151 Sm (n,γ) measurements across a wide range of energy. Furthermore, I demonstrate through simulations that total cross section measurements can be made at the Manuel Lujan Jr. Neutron Scattering Center at the Los Alamos Neutron Science Center for samples as small as 10μg. Samples of this size should be attainable for many nuclides of interest. Finally, I estimate that over half of the radionuclides identified ~20 years ago as having (n,γ) cross sections of importance to s-process nucleosynthesis studies (24/43) and radiochemical diagnostics (11/19), almost none of which have been measured, can be constrained using this technique.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electron Beam Welding and Characterization of 21-6-9 Stainless Steel Annealed Plate and Welds

This report summarizes the electron beam (EB) welding and characterization work performed on annealed 21-6-9 stainless steel plate during the 2011-2012 time period. The work was directed at producing legacy autogeneous EB welds with the use of the Enhanced Modified Faraday Cup (EMFC) EB diagnostic to characterize the beam, and measuring the resulting tensile and hardness properties of the weld relative to annealed 21-6-9 stainless steel base metal. Different tensile bar configurations were produced, and the results were analyzed to determine how well the stress-strain behavior of small tensile samples compares to standard sized tensile samples for the same material. Additional comparisons were made between cross-weld tensile samples with and without weld steps to determine how the unwelded portion of a step joint affects the measured tensile behavior. Base metal tensile data was further used to calibrate a spherical indentation method to estimate uniaxial tensile behavior using a nanoindenter. The calibrated method was then used to generate the first engineering stress-strain curve for EB welded 21-6-9 stainless steel. Additional analysis was performed to determine Steinberg-Guinan and Johnson-Cook model parameters to represent both the annealed 21-6-9 SS base metal and the EB weld metal stress-strain behaviors under quasi static strain rate conditions.

36 MATERIALS SCIENCE↗

From Modules to Atoms: Techniques and Characterization for Identifying and Understanding Device-Level Photovoltaic Degradation Mechanisms

This report documents how degraded modules are analyzed for the characterization of cell-level performance reduction. The primary degradation topics presented here are 1) potential-induced degradation, 2) defect metastability and impurity diffusion, and 3) partial-shading-induced reverse-bias breakdown. Imaging techniques, such as electroluminescence imaging, photoluminescence imaging, and lock-in thermography provide spatial information of full modules on the meter scale. Area of interest can then be imaged with higher spatial resolution by zooming in with fields of view near the mm scale. We document procedures for coring cell samples from selected regions of interest using mechanical drilling. The small samples are then of suitable size for various microscopic analyses using techniques such as scanning electron microscopy, time-of-flight secondary ion spectrometry, atomic force microscopy, electron beam induced current, transmission electron microscopy, and atom probe tomography, which can provide chemical, structural, and electrical characterization down to the atomic scale.

14 SOLAR ENERGY↗

Generic Sensor Modeling Using Pulse Method

Recent development of high spatial resolution satellites such as IKONOS, Quickbird and Orbview enable observation of the Earth's surface with sub-meter resolution. Compared to the 30 meter resolution of Landsat 5 TM, the amount of information in the output image was dramatically increased. In this era of high spatial resolution, the estimation of spatial quality of images is gaining attention. Historically, the Modulation Transfer Function (MTF) concept has been used to estimate an imaging system's spatial quality. Sometimes classified by target shapes, various methods were developed in laboratory environment utilizing sinusoidal inputs, periodic bar patterns and narrow slits. On-orbit sensor MTF estimation was performed on 30-meter GSD Landsat4 Thematic Mapper (TM) data from the bridge pulse target as a pulse input . Because of a high resolution sensor s small Ground Sampling Distance (GSD), reasonably sized man-made edge, pulse, and impulse targets can be deployed on a uniform grassy area with accurate control of ground targets using tarps and convex mirrors. All the previous work cited calculated MTF without testing the MTF estimator's performance. In previous report, a numerical generic sensor model had been developed to simulate and improve the performance of on-orbit MTF estimating techniques. Results from the previous sensor modeling report that have been incorporated into standard MTF estimation work include Fermi edge detection and the newly developed 4th order modified Savitzky-Golay (MSG) interpolation technique. Noise sensitivity had been studied by performing simulations on known noise sources and a sensor model. Extensive investigation was done to characterize multi-resolution ground noise. Finally, angle simulation was tested by using synthetic pulse targets with angles from 2 to 15 degrees, several brightness levels, and different noise levels from both ground targets and imaging system. As a continuing research activity using the developed sensor model, this report was dedicated to MTF estimation via pulse input method characterization using the Fermi edge detection and 4th order MSG interpolation method. The relationship between pulse width and MTF value at Nyquist was studied including error detection and correction schemes. Pulse target angle sensitivity was studied by using synthetic targets angled from 2 to 12 degrees. In this report, from the ground and system noise simulation, a minimum SNR value was suggested for a stable MTF value at Nyquist for the pulse method. Target width error detection and adjustment technique based on a smooth transition of MTF profile is presented, which is specifically applicable only to the pulse method with 3 pixel wide targets.

Helder, Dennis L.↗