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At least 685 records · Page 38

Model-based optimization of near-field binary-pixelated beam shapers

The optimization of components that rely on spatially dithered distributions of transparent or opaque pixels and an imaging system with far-field filtering for transmission control is demonstrated. The binary-pixel distribution can be iteratively optimized to lower an error function that takes into account the design transmission and the characteristics of the required far-field filter. Simulations using a design transmission chosen in the context of high-energy lasers show that the beam-fluence modulation at an image plane can be reduced by a factor of 2, leading to performance similar to using a non-optimized spatial-dithering algorithm with pixels of size reduced by a factor of 2 without the additional fabrication complexity or cost. The optimization process preserves the pixel distribution statistical properties. Analysis shows that the optimized pixel distribution starting from a high-noise distribution defined by a random-draw algorithm should be more resilient to fabrication errors than the optimized pixel distributions starting from a low-noise, error-diffusion algorithm, while leading to similar beamshaping performance. Furthermore, this is confirmed by experimental results obtained with various pixel distributions and induced fabrication errors.

43 PARTICLE ACCELERATORS↗

Cloud response to co-condensation of water and organic vapors over the boreal forest

Abstract. Accounting for the condensation of organic vapors along with water vapor (co-condensation) has been shown in adiabatic cloud parcel model (CPM) simulations to enhance the number of aerosol particles that activate to form cloud droplets. The boreal forest is an important source of biogenic organic vapors, but the role of these vapors in co-condensation has not been systematically investigated. In this work, the environmental conditions under which strong co-condensation-driven cloud droplet number enhancements would be expected over the boreal biome are identified. Recent measurement technology, specifically the Filter Inlet for Gases and AEROsols (FIGAERO) coupled to an iodide-adduct chemical ionization mass spectrometer (I-CIMS), is utilized to construct volatility distributions of the boreal atmospheric organics. Then, a suite of CPM simulations initialized with a comprehensive set of concurrent aerosol observations collected in the boreal forest of Finland during spring 2014 is performed. The degree to which co-condensation impacts droplet formation in the model is shown to be dependent on the initialization of temperature, relative humidity, updraft velocity, aerosol size distribution, organic vapor concentration, and the volatility distribution. The predicted median enhancements in cloud droplet number concentration (CDNC) due to accounting for the co-condensation of water and organics fall on average between 16 % and 22 %. This corresponds to activating particles 10–16 nm smaller in dry diameter that would otherwise remain as interstitial aerosol. The highest CDNC enhancements (ΔCDNC) are predicted in the presence of a nascent ultrafine aerosol mode with a geometric mean diameter of ∼ 40 nm and no clear Hoppel minimum, indicative of pristine environments with a source of ultrafine particles (e.g., via new particle formation processes). Such aerosol size distributions are observed 30 %–40 % of the time in the studied boreal forest environment in spring and fall when new particle formation frequency is the highest. To evaluate the frequencies with which such distributions are experienced by an Earth system model over the whole boreal biome, 5 years of UK Earth System Model (UKESM1) simulations are further used. The frequencies are substantially lower than those observed at the boreal forest measurement site (< 6 % of the time), and the positive values, peaking in spring, are modeled only over Fennoscandia and the western parts of Siberia. Overall, the similarities in the size distributions between observed and modeled (UKESM1) are limited, which would limit the ability of this model, or any model with a similar aerosol representation, to project the climate relevance of co-condensation over the boreal forest. For the critical aerosol size distribution regime, ΔCDNC is shown to be sensitive to the concentrations of semi-volatile and some intermediate-volatility organic compounds (SVOCs and IVOCs), especially when the overall particle surface area is low. The magnitudes of ΔCDNC remain less affected by the more volatile vapors such as formic acid and extremely low- and low-volatility organic compounds (ELVOCs and LVOCs). The reasons for this are that most volatile organic vapors condense inefficiently due to their high volatility below the cloud base, and the concentrations of LVOCs and ELVOCs are too low to gain significant concentrations of soluble mass to reduce the critical supersaturations enough for droplet activation to occur. A reduction in the critical supersaturation caused by organic condensation emerges as the main driver of the modeled ΔCDNC. The results highlight the potential significance of co-condensation in pristine boreal environments close to sources of fresh ultrafine particles. For accurate predictions of co-condensation effects on CDNC, also in larger-scale models, an accurate representation of the aerosol size distribution is critical. Further studies targeted at finding observational evidence and constraints for co-condensation in the field are encouraged.

54 ENVIRONMENTAL SCIENCES↗

Transverse kinetics of a charged drop in an external electric field

We investigate a non-equilibrium behavior of a small, dense and charged drop in the transverse plane. A collective motion of the drop’s particles with constant entropy is described. Namely, we solve Vlasov’s equation with non-isotropic initial conditions. Thereby a non-equilibrium distribution function of the process of the droplet evolution in the transverse plane is calculated. An external electric field is included in the initial conditions of the equation that affects on the form of the obtained solution. Applicability of the results to the description of initial states of quark-gluon plasma is also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development of high-performance roll-to-roll-coated gas-diffusion-electrode-based fuel cells

This study focuses on determining fabrication conditions to create high-performance roll-to-roll-coated (R2R-coated) gas-diffusion electrodes (GDEs) for proton-exchange-membrane fuel cells (PEMFCs). Here, we examine how process conditions influence the distribution of ionomer in the electrode, which is shown to be critical for high performance. Using a combination of Kelvin probe, X-ray photoelectron spectroscopy, and nano-scale X-ray computed tomography we show that formation of an ionomer-rich surface is promoted by using a higher drying rate. We show that R2R-coated GDEs have higher surface ionomer concentration than spray-coated GDEs, which enables these R2R-coated GDEs to not need an additional ionomer overlayer, as is typically the case for spray-coated GDEs. This will reduce the number of processing steps and lower material costs in a manufacturing setting. This work shows that with the appropriate selection of materials, ink formulation, and processing conditions, direct-coated GDEs are a viable pathway for fuel cell manufacturing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Validity of 21 cm Spin Temperature as a Kinetic Temperature Indicator in Atomic and Molecular Gas

The gas kinetic temperature ( T {sub K} ) of various interstellar environments is often inferred from observations that can deduce level populations of atoms, ions, or molecules using spectral line observations; H i 21 cm is perhaps the most widely used, and has a long history. Usually the H i 21 cm line is assumed to be in thermal equilibrium and the populations are given by the Boltzmann distribution. A variety of processes, many involving Ly α , can affect the 21 cm line. Here we show how this is treated in the spectral simulation code Cloudy, and present numerical simulations of environments where this temperature indicator is used, with a detailed treatment of the physical processes that determine level populations within H{sup 0}. We discuss situations where this temperature indicator traces T {sub K}, cases where it fails, as well as the effects of Ly α pumping on the 21 cm spin temperature. We also show that the Ly α excitation temperature rarely traces the gas kinetic temperature.

79 ASTRONOMY AND ASTROPHYSICS↗

A fast and memory-sparing probabilistic selection algorithm for the GPU

A fast and memory-sparing probabilistic top-N selection algorithm is implemented on the GPU. This probabilistic algorithm gives a deterministic result and always terminates. The use of randomization reduces the amount of data that needs heavy processing, and so reduces both the memory requirements and the average time required for the algorithm. This algorithm is well-suited to more general parallel processors with multiple layers of memory hierarchy. Probabilistic Las Vegas algorithms of this kind are a form of stochastic optimization and can be especially useful for processors having a limited amount of fast memory available.

99 GENERAL AND MISCELLANEOUS↗

Examination of Na-Doped Mo Sputtering for CIGS Devices (CRADA Final Report)

Na is an important ingredient in Cu(In,Ga)(Se,S) 2 (CIGS) photovoltaic devices, due to its ability to increase carrier density and passivate surfaces, grain boundaries, and Se vacancies. In the highest efficiency devices, Na is supplied to the growing CIGS film by diffusion through the Mo back contact from the sodalime glass substrate. This arrangement is problematic in that the Na content of the film is only indirectly controlled: deposition times, deposition temperatures, Mo morphology, and glass composition are coupled with the Na diffusion. Results in the literature show that the Mo, not the CIGS, is the primary barrier to Na diffusion. Alternatively, using a Na-free substrate or diffusion barrier, Na may be introduced by a NaF precursor deposited on top of the Mo. However, this forces a trade-off between carrier density and adhesion. If the NaF is not entirely consumed, the CIGS layer peels away from the Mo, encouraging the use of less NaF even though the best device properties tend to result from the thickest possible NaF layers. Furthermore, although early studies show that gross control of Na is sufficient to produce 12-14% small devices, the industry has reached this level and is ready to progress to higher performance. The sensitivity of NREL device efficiency (15 to 20%) to Mo morphology suggests that fine control of Na content is necessary for very high performance. This work has investigated the use of Na doped Mo (“MONA”) sputtering targets for use in preparing CIGS devices. The Mo:Na material is doped to about 3% Na by weight, implying that a 40 nm layer on top of the standard Mo contact validation of their product. contains sufficient Na to dope a 2.5 µm CIGS film. The ability to control Na doping independent of both CIGS processing conditions and adhesion is an important gain for industry and research. Manufacturers gain a route to increased manufacturability and performance, while NREL researchers gain a tightened performance distribution of devices and increased process flexibility. Our immediate partner in this work, the Climax Molybdenum Technology Center, gains validation of their product.

14 SOLAR ENERGY↗

Ducted Assembly Steady-State Heat Transfer Software (DASSH): Theory Manual

The Ducted Assembly Steady-State Heat transfer software (DASSH) is being developed at Argonne National Laboratory to obtain a steady-state thermal fluids result for the coolant flow and temperature distribution in a hexagonally gridded reactor core with ducted assemblies. In DASSH, each assembly is assumed to contain a hexagonal bundle of wire-wrapped pins. DASSH divides the coolant in the pin bundle into subchannels on which it applies energy balances to determine coolant and duct temperatures. DASSH offers multiple models for inter assembly heat transfer and features the ability to calculate pin temperatures. This document describes the models and equations implemented in DASSH. It includes a description of the geometric system to which the models are applied and a derivation of the subchannel energy balance formulation is presented. It also reviews the available correlations and provides an overview of the process by which power distributions are generated. Finally, it covers the code execution procedure, discussing the main code objects and their interactions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Recombination of Autodissociated Water Ions in a Nanoscale Pure Water Droplet

The recombination of water ions has diverse scientific and practical implications, ranging from acid-base chemistry and biological systems to planetary environments and applications in fuel cell and carbon conversion technologies. While spatial confinement affects the physicochemical properties of water dynamics, its impact on the recombination process has rarely been studied. In this work, we investigate the dynamics of water, the water ion distribution, and the ion recombination process in water droplets as a function of droplet size through molecular dynamics simulations and adaptive quantum mechanical/molecular mechanical calculations. We compare the dynamics of recombination in water droplet sizes ranging from 100 to 18 000 waters, both in their interiors and on their surfaces. We found that the self-diffusion of water dramatically decreases in droplets with a diameter below 2.2 nm. Using a classical RexPoN force-field, we found that the ions in 1000 H2O's spend almost 50% of the time on the surface and 0.5 nm beneath it with a slight preference for OH- ion to reside longer on the surface. We estimate that, on average, recombination in these drops occurs at 400 ps in 1000 H2O's and 1 ns in 3000 H2O's. We also found that recombination is not limited by the local structure of the surface or the size of the droplet but can be influenced by the geometry of the water wire connecting the ions as they approach each other, which can often prevent recombination. Our results provide insights to the reaction microenvironments presented by nanoscopic water droplets.

Kwon, Soonho↗

Dislocation Networks and the Microstructural Origin of Strain Hardening

In this paper, when metals plastically deform, the density of line defects called dislocations increases and the microstructure is continuously refined, leading to the strain hardening behavior. Using discrete dislocation dynamics simulations, we demonstrate the fundamental role of junction formation in connecting dislocation microstructure evolution and strain hardening in face-centered cubic (fcc) Cu. The dislocation network formed consists of line segments whose lengths closely follow an exponential distribution. This exponential distribution is a consequence of junction formation, which can be modeled as a one-dimensional Poisson process. According to the exponential distribution, two non-dimensional parameters control microstructure evolution, with the hardening rate dictated by the rate of stable junction formation. Among the types of junctions in fcc crystals, we find that glissile junctions make the dominant contribution to strain hardening.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reconstruction of a Bacterial Genome from DNA Cassettes

This basic research program comprised two major areas: (1) acquisition and analysis of marine microbial metagenomic data and development of genomic analysis tools for broad, external community use; (2) development of a minimal bacterial genome. Our Marine Metagenomic Diversity effort generated and analyzed shotgun sequencing data from microbial communities sampled from over 250 sites around the world. About 40% of the 26 Gbp of sequence data has been made publicly available to date with a complete release anticipated in six months. Our results and those mining the deposited data have revealed a vast diversity of genes coding for critical metabolic processes whose phylogenetic and geographic distributions will enable a deeper understanding of carbon and nutrient cycling, microbial ecology, and rapid rate evolutionary processes such as horizontal gene transfer by viruses and plasmids. A global assembly of the generated dataset resulted in a massive set (5Gbp) of genome fragments that provide context to the majority of the generated data that originated from uncultivated organisms. Our Synthetic Biology team has made significant progress towards the goal of synthesizing a minimal mycoplasma genome that will have all of the machinery for independent life. This project, once completed, will provide fundamentally new knowledge about requirements for microbial life and help to lay a basic research foundation for developing microbiological approaches to bioenergy.

59 BASIC BIOLOGICAL SCIENCES↗

A butterfly diagram and carrington maps for century-long Ca II K spectroheliograms from the Kodaikanal observatory

The century-long (1907–2007) Ca ii K spectroheliograms from the Kodaikanal Solar Observatory (KSO) are calibrated, processed, and analyzed to follow the evolution of the bright on-disc structures called plages, possible representatives of magnetic activity on the Sun. This is the longest data set studied in Ca ii K to date, covering about 9.5 cycles of 11 yr periods. Plages are segmented with area ⩾1 arcmin{sup 2} using global thresholds for individual full disc images and subsequent application of a morphological closing operation. The plage index is calculated and is seen to have a close positive correlation with the fractional disc area covered by plages. The newly generated plage area cycle (from KSO) was compared with the same from the Mount Wilson Observatory (correlation 95.6%) for the overlapping years, i.e., 1915–2000. This study illustrates the time–latitude distribution of plage centroids by rendering a butterfly diagram (as observed for sunspots). The 3D visualization of the diagram shows one-to-one mapping between plage location, time, and area. This work further delineates the positional correlation between magnetic patches and plage regions through the comparison of synoptic maps derived from both KSO Ca ii K images and space-based full disc line-of-sight magnetograms. Regular synoptic magnetograms from ground-based observatories are available only after 1970s. Thus the long term Ca ii K data from KSO can be used as a proxy for estimating magnetic activity locations and their strengths at earlier times.

79 ASTRONOMY AND ASTROPHYSICS↗

Phase stability, porosity distribution and microstructural evolution of amorphous Al{sub 50}Ti{sub 50} powders consolidated by electrical resistance sintering

The effect of intensity and duration of the electrical resistance sintering process on the phase stability, porosity distribution and microstructural evolution of Al{sub 50}Ti{sub 50} amorphous powders is studied. The phase transformations during the consolidation process were determined by X-ray diffraction. The porosity distribution was observed by optical and scanning electron microscopy. The amorphous phase is partially transformed to the crystalline phase during the sintering process, and formation of AlTi and AlTi{sub 3} intermetallic compounds occurs for temperatures higher than 300 °C. Finally, it is observed that the compacts core have lower porosity and a higher tendency to the amorphous-crystalline phase transformation than the periphery.

36 MATERIALS SCIENCE↗

Verification of Analytical Test Based Thermohydraulic Systems Codes for One- and Two-Phase Liquid-Metal Flows

This work is devoted to the development of a system of analytical tests for verification of the thermohydraulic codes used in modeling the flow of one- and two-phase flows of liquid metals. The change of temperature in constant and variable flow of coolant, effect of axial heat conduction of the coolant on the temperature distribution, development of natural circulation in a closed loop, motion of a two-phase mixture under gravity, and fluctuations of the gas volume and distribution of the true process steam content in the presence of boiling/condensation are studied. The developed system of tests was used to verify the HYDRA-IBRAE/LM thermohydraulic code and the thermohydraulic module of the SOKRAT-BN code. The computational errors in the individual thermohydraulic parameters are obtained.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Study of the time-resolved, 3-dimensional current density distribution in solid metallic liners at 1 MA

We present a study of the time varying current density distribution in solid metallic liner experiments at the 1MA level. Measurements are taken using an array of magnetic field probes which provide 2D triangulation of the average centroid of the drive current in the load at 3 discrete axial positions. These data are correlated with gated optical self-emission imaging which directly images the breakdown and plasma formation region. Results show that the current density is azimuthally non-uniform, and changes significantly throughout the 100ns experimental timescale. Magnetic field probes show clearly motion of the current density around the liner azimuth over 10ns timescales. If breakdown is initiated at one azimuthal location, the current density remains non-uniform even over large spatial extents throughout the current drive. The evolution timescales are suggestive of a resistive diffusion process or uneven current distributions among simultaneously formed but discrete plasma conduction paths.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An additional study of multi-muon events produced in $p\bar{p}$ collisions at $\sqrt{s}=1.96$ TeV

We present one additional study of multi-muon events produced at the Fermilab Tevatron collider and recorded by the CDF II detector. We use a data set acquired with a dedicated dimuon trigger and corresponding to an integrated luminosity of 3.9 fb{sup -1}. We investigate the distribution of the azimuthal angle between the two trigger muons in events containing at least four additional muon candidates to test the compatibility of these events with originating from known QCD processes. We find that this distribution is markedly different from what is expected from such QCD processes and this observation strongly disfavours the possibility that multi-muon events result from an underestimate of the rate of misidentified muons in ordinary QCD events.

43 PARTICLE ACCELERATORS↗

An image-based technique to assess the perceptual quality of clinical chest radiographs

Purpose: Current clinical image quality assessment techniques mainly analyze image quality for the imaging system in terms of factors such as the capture system modulation transfer function, noise power spectrum, detective quantum efficiency, and the exposure technique. While these elements form the basic underlying components of image quality, when assessing a clinical image, radiologists seldom refer to these factors, but rather examine several specific regions of the displayed patient images, further impacted by a particular image processing method applied, to see whether the image is suitable for diagnosis. In this paper, the authors developed a novel strategy to simulate radiologists' perceptual evaluation process on actual clinical chest images. Methods: Ten regional based perceptual attributes of chest radiographs were determined through an observer study. Those included lung grey level, lung detail, lung noise, rib-lung contrast, rib sharpness, mediastinum detail, mediastinum noise, mediastinum alignment, subdiaphragm-lung contrast, and subdiaphragm area. Each attribute was characterized in terms of a physical quantity measured from the image algorithmically using an automated process. A pilot observer study was performed on 333 digital chest radiographs, which included 179 PA images with 10:1 ratio grids (set 1) and 154 AP images without grids (set 2), to ascertain the correlation between image perceptual attributes and physical quantitative measurements. To determine the acceptable range of each perceptual attribute, a preliminary quality consistency range was defined based on the preferred 80% of images in set 1. Mean value difference ({mu}{sub 1}-{mu}{sub 2}) and variance ratio ({sigma}{sub 1}{sup 2}/{sigma}{sub 2}{sup 2}) were investigated to further quantify the differences between the selected two image sets. Results: The pilot observer study demonstrated that our regional based physical quantity metrics of chest radiographs correlated very well with their corresponding perceptual attributes. The distribution comparisons, mean value difference estimations, and variance ratio estimations of each physical quantity between sets of images from two different techniques matched our expectation that the image quality of set 1 should be better than that of set 2. Conclusions: The measured physical quantities provide a robust reflection of perceptual image quality in clinical images. The methodology can be readily applied for automated evaluation of perceptual image quality in clinical chest radiographs.

60 APPLIED LIFE SCIENCES↗

The roles of the binodal curve and the spinodal curve in expansions from the supercritical state with flashing

Data extracted from time-of-flight (TOF) measurements made on steady-state He free jets at Göttingen already in 1986 and for pulsed Ne free jets investigated recently at Tel Aviv have been added to an earlier plot of terminal condensed-phase mass fraction x{sub 2∞} as a function of the dimensionless scaling parameter Γ. Γ characterizes the source (fluid species, temperature, pressure and throat diameter); values of x{sub 2∞} are extracted from TOF measurements using conservation of energy in the free-jet expansion. For nozzles consisting of an orifice in a thin plate; the extracted data yield 22 data points which are correlated satisfactorily by a single curve. The Ne free jets were expanded from a conical nozzle with a 20° half angle; the three extracted data points stand together but apart from the aforementioned curve, indicating that the presence of the conical wall influences significantly the expansion and hence the condensation. The 22 data points for the expansions via an orifice consist of 15 measurements with expansions from the gas-phase side of the binodal curve which crossed the binodal curve downstream from the sonic point and 7 measurements with expansions of the gas-phase product of the flashing which occurred after an expansion from the liquid-phase side of the binodal curve crossed the binodal curve upstream from the sonic point. The association of these 22 points with a single curve supports the alternating-phase model for flows with flashing upstream from the sonic point proposed earlier. In order to assess the role of the spinodal curve in such expansions, the spinodal curves for He and Ne were computed using general multi-parameter Helmholtz-free-energy equation-of-state formulations. Then, for the several sets of source-chamber conditions used in the free-jet measurements, thermodynamic states at key locations in the free-jet expansions (binodal curve, sonic point and spinodal curve) were evaluated, with the expansion presumed to be metastable from the binodal curve to the spinodal curve. TOF distributions with more than two peaks (interpreted earlier as superimposed alternating-state TOF distributions) indicated flashing of the metastable flow downstream from the binodal curve but upstream from the sonic point. This relatively early flashing is due apparently to destabilizing interactions with the walls of the source. If the expansion crosses the binodal curve downstream from the nozzle, the metastable fluid does not interact with surfaces and flashing might be delayed until the expansion reaches the spinodal curve. It is concluded that, if the expansion crosses the binodal curve before reaching the sonic point, the resulting metastable fluid downstream from the binodal curve interacts with the adjacent surfaces and flashes into liquid and vapor phases which expand alternately through the nozzle; the two associated alternating TOF distributions are superposed by the chopping process so that the result has the appearance of a single distribution with three peaks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗