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Dependence of twinned volume fraction on loading mode and Schmid factor in randomly textured magnesium

Here, the twinning activity in random textured cast magnesium during room temperature tension and compression tests was monitored by neutron diffraction (ND). Variation of integrated intensities of selected diffraction peaks, characterizing the twinned volume in particularly oriented grains was compared with calculated Schmid factors for extension twinning of these grains. It is shown that in tension there is a direct proportion between the twinned volume and the maximum value of the Schmid factor for a given grain orientation. In contrast, in compression this relation is not valid. The twinned volume in this case is influenced by both deviation of the grain from the ideal orientation and its rotation around the c-axis. The experimental results are in good agreement with those obtained from elasto-plastic self-consistent (EPSC) modeling.

36 MATERIALS SCIENCE↗

Synthesis of pore-variable mesoporous CdS and evaluation of its photocatalytic activity in degrading methylene blue

Graphical abstract: - Highlights: • Self-templated synthesis of tubular CdS. • Cadmium complexes of aliphatic acids sustain the network of mesoporous structures. • Aliphatic acids affect the phase composition and particle size. • Pore size and volume vary with aliphatic acids having different hydrocarbonyl. - Abstract: In this study, mesoporous CdS polycrystallites have been synthesized using aliphatic acids of hexanoic acid, octanoic acid, and oleic acid as coordinating and capping agents, respectively. The fibrous Cd–fatty acid salts act as a template to form the tubular CdS. The organic species are found to be necessary for maintaining the network of mesoporous CdS. The characterization results indicate that the shorter carbon chain length in aliphatic acids favors the wurtzite phase and particle size growth the specific surface area, pore diameter and pore volume show a monotonic raise with increasing carbon chain. The photocatalytic activities of mesoporous CdS tubes exhibit much higher efficiency than those of nanosized CdS powders in decolorizing methylene blue under simulated visible light.

36 MATERIALS SCIENCE↗

Capillary pressure – saturation relationships for gas shales measured using a water activity meter

Hydraulic fracturing of gas shale formations involves pumping a large volume of fracking fluid into a hydrocarbon reservoir to fracture the rock and thus increase its permeability. The majority of the fracking fluid introduced is never recovered and the fate of this lost fluid, often called “leak off,” has become the source of much debate. Information on the capillary pressure – saturation relationship for each wetting phase is needed to simulate leak off using numerical reservoir models. The petroleum industry commonly employs air – water capillary pressure – saturation curves to predict these relationships for mixed wet reservoirs. Traditional methods of measuring this curve are unsuitable for gas shales due to high capillary pressures associated with the small pores present. Still, a possible alternative method is the water activity meter which is used widely in the soil sciences for such measurements. However, its application to lithified material has been limited. Here, this study utilized a water activity meter to measure air – water capillary pressures (ranging from 1.3 to 219.6 MPa) at several water saturation levels in both the wetting and drying directions. Water contents were measured gravimetrically. Seven types of gas producing shale with different porosities (2.5–13.6%) and total organic carbon contents (0.4–13.5%) were investigated. Nonlinear regression was used to fit the resulting capillary pressure – water saturation data pairs for each shale type to the Brooks and Corey equation. Data for six of the seven shale types investigated were successfully fitted (median R 2 = 0.93), indicating this may be a viable method for parameterizing capillary pressure – saturation relationships for inclusion in numerical reservoir models. As expected, the different shale types had statistically different Brooks and Corey parameters. However, there were no significant differences between the Brooks and Corey parameters for the wetting and drying measurements, suggesting that hysteresis may not need to be taken into account in leak off simulations.

54 ENVIRONMENTAL SCIENCES↗

Ocean Optics Protocols for Satellite Ocean Color Sensor Validation, Revision 4, Volume IV: Inherent Optical Properties: Instruments, Characterizations, Field Measurements and Data Analysis Protocols

This document stipulates protocols for measuring bio-optical and radiometric data for the Sensor Intercomparision and Merger for Biological and Interdisciplinary Oceanic Studies (SIMBIOS) Project activities and algorithm development. The document is organized into 6 separate volumes as Ocean Optics Protocols for Satellite Ocean Color Sensor Validation, Revision 4. Volume I: Introduction, Background, and Conventions; Volume II: Instrument Specifications, Characterization and Calibration; Volume III: Radiometric Measurements and Data Analysis Methods; Volume IV: Inherent Optical Properties: Instruments, Characterization, Field Measurements and Data Analysis Protocols; Volume V: Biogeochemical and Bio-Optical Measurements and Data Analysis Methods; Volume VI: Special Topics in Ocean Optics Protocols and Appendices. The earlier version of Ocean Optics Protocols for Satellite Ocean Color Sensor Validation, Revision 3 is entirely superseded by the six volumes of Revision 4 listed above.

Mueller, J. L.↗

Astronautics and Aeronautics, 1966

At the opening of the tenth year in the era of man’s mobility in outer space, we can look back on 1966 as offering convincing evidence that the United States had gained great competence. This evidence included: five orbital space flights by ten Gemini astronauts; four lunar missions undertaking the orbiting of and soft landing on the moon; numerous contributions to scientific knowledge by unmanned spacecraft and sounding rockets; and further demonstrations of the practical utility of operational space systems, including weather and communications satellites. During 1966, a record 100 American spacecraft were placed into earth orbit or on escape trajectories. Thousands of revealing and useful pictures of the earth were taken from space and of the moon from lunar orbit and on its surface. The Gemini program ended with rendezvous and docking experiments and extravehicular activity by the Gemini test pilots as the Apollo R&D test flights leading to the manned lunar mission came into the schedule. Thirty-five major scientific, technological, and operational milestones were cited for 1966 by the President in his Report to the Congress on aeronautical and space activities of the United States. This was one measure of the American commitment to share in the peaceful exploration of space for all mankind. Another was our support of the final steps toward a United Nations space treaty, undertaken to ensure that the peaceful exploitation of space had juridical basis in international law. Spectacular as some events in the space venture were in 1966, they nonetheless came to have diminished novelty in the eyes of many laymen. The multitude of both important and unspectacular space activities attained almost an accepted and routine place. This volume, as well as its predecessor chronicles, offers a ready reference on the major as well as the less-well known events. Beyond the welter of documented details on the complex nature of aeronautical and space related events and their impact, this volume helps to provide a better perspective upon today as we contemplate tomorrow. Such intent also serves future historians and analysts who cannot be unmindful of what is herein presented. When the Congress created the National Aeronautics and Space Administration in 1958, it charged NASA with the responsibility to “contribute materially to . . . the expansion of human knowledge of phenomena in the atmosphere and space’’ and to “provide for the widest practical and appropriate dissemination of information concerning its activities and results thereof.” NASA has attempted to do this and to include documentation for the historical record. The relating of NASA history begins with this day-by day chronicle and leads to more specialized studies and histories of the unprecedented task of extending man’s mobility and understanding beyond his planet. While a chronology cannot in itself serve as a full-fledged history, the size of this annual volume alone is illustrative of the scope and complexity of the historical task yet to be completed as memories fade and the records disappear.

SPACE PROBE↗

Deformation Behavior of a Coarse-Grained Mg-8Al-1.5Ca-0.2Sr Magnesium Alloy at Elevated Temperatures

The compression tests were carried out on a coarse-grained Mg-8Al-1.5Ca-0.2Sr magnesium alloy samples at temperatures from 300 to 450 °C and strain rates from 0.001 to 10 s{sup −1}. The flow stress curves were analyzed using the double-differentiation method, and double minima were detected on the flow curves. The first set of minima is shown to identify the critical strain for twinning, while the second set indicates the critical strain for the initiation of dynamic recrystallization (DRX). Twin variant selection was numerically identified by comprehensive analysis of the Schmid factors for different deformation modes and the accommodation strains imposed on neighboring grains. It was found that twinning is initiated before DRX. Dynamic recrystallization volume increases with strain rate at a given deformation temperature. At high strain rate, various twin variants are activated to accommodate deformation, leading to the formation of twin intersections and high DRX volume. Fully dynamic recrystallized structure can be obtained at both high and low strain rates due to the high mobility of the grain and twin boundaries at the temperature of 400 °C.

36 MATERIALS SCIENCE↗

Comparison of Cone-Beam Tomography and Cross-Sectional Imaging for Volumetric and Dosimetric Calculations in Resin Yttrium-90 Radioembolization

PurposeTo compare the use of cone-beam computed tomography versus contrast-enhanced computed tomography (CT) and magnetic resonance imaging (MRI) in the calculation of liver volume and planned dose for yttrium-90 radioembolization.Materials and MethodsThe study retrospectively assessed 47 consecutive patients who underwent resin Y-90 radioembolization consecutively over a 2-year period at a single center. Volume calculation software was used to determine perfused lobar liver volumes from cone-beam CT (CBCT) images obtained during mapping angiography. CBCT-derived volumes were compared with perfused lobar volume derived from contrast-enhanced CT and MRI. Nominal activities as determined by the SIR-Spheres Microspheres Activity Calculator were similarly calculated and compared using both CBCT and conventionally acquired volumes.ResultsA total of 82 hepatic lobes were assessed in 47 patients. The mean percentage difference between combined CT-MRI- and CBCT-derived calculated lobar volumes was 25.3% (p = 0.994). The mean percentage difference in calculated dose between the two methods was 21.8 ± 24.6% (p = 0.42). Combined left and right lobar CT-derived dose difference was less than 10% in 22 lobes, between 10 and 25% in 20 lobes, between 25 and 50% in 13 lobes and greater than 50% in 5 lobes. Combined left and right lobar MRI-derived dose difference was less than 10% in 11 lobes, between 10 and 25% in 7 lobes, between 25 and 50% in 2 lobes and greater than 50% in 1 lobe.ConclusionsAlthough volume measurements derived from CT/MRI did not differ significantly from those derived from CBCT, variability between the two methods led to large and unexpected differences in calculated dose.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-C-9A-01: Parameter Optimization in Adaptive Region-Growing for Tumor Segmentation in PET

Purpose: To design a reliable method to determine the optimal parameter in the adaptive region-growing (ARG) algorithm for tumor segmentation in PET. Methods: The ARG uses an adaptive similarity criterion m - fσ ≤ I-PET ≤ m + fσ, so that a neighboring voxel is appended to the region based on its similarity to the current region. When increasing the relaxing factor f (f ≥ 0), the resulting volumes monotonically increased with a sharp increase when the region just grew into the background. The optimal f that separates the tumor from the background is defined as the first point with the local maximum curvature on an Error function fitted to the f-volume curve. The ARG was tested on a tumor segmentation Benchmark that includes ten lung cancer patients with 3D pathologic tumor volume as ground truth. For comparison, the widely used 42% and 50% SUVmax thresholding, Otsu optimal thresholding, Active Contours (AC), Geodesic Active Contours (GAC), and Graph Cuts (GC) methods were tested. The dice similarity index (DSI), volume error (VE), and maximum axis length error (MALE) were calculated to evaluate the segmentation accuracy. Results: The ARG provided the highest accuracy among all tested methods. Specifically, the ARG has an average DSI, VE, and MALE of 0.71, 0.29, and 0.16, respectively, better than the absolute 42% thresholding (DSI=0.67, VE= 0.57, and MALE=0.23), the relative 42% thresholding (DSI=0.62, VE= 0.41, and MALE=0.23), the absolute 50% thresholding (DSI=0.62, VE=0.48, and MALE=0.21), the relative 50% thresholding (DSI=0.48, VE=0.54, and MALE=0.26), OTSU (DSI=0.44, VE=0.63, and MALE=0.30), AC (DSI=0.46, VE= 0.85, and MALE=0.47), GAC (DSI=0.40, VE= 0.85, and MALE=0.46) and GC (DSI=0.66, VE= 0.54, and MALE=0.21) methods. Conclusions: The results suggest that the proposed method reliably identified the optimal relaxing factor in ARG for tumor segmentation in PET. This work was supported in part by National Cancer Institute Grant R01 CA172638; The dataset is provided by AAPM TG211.

60 APPLIED LIFE SCIENCES↗

Progress on the Critical Parameters for Lithium-Sulfur Batteries to be Practically Viable

Lithium–sulfur batteries have great potential to satisfy the increasing demand of energy storage systems for portable devices, electric vehicles, and grid storage because of their extremely high specific capacity, cost-effectiveness, and environmental friendliness. In spite of all these merits, the practical utilization of lithium–sulfur batteries is impeded by commonly known challenges, such as low sulfur utilization (<80%), short life (<200 cycles), fast capacity fade, and severe self-discharge effect, which mainly result from the i) low conductivity of the active material, ii) serious polysulfide shuttling, iii) large volume changes, and iv) lithium–metal anode contamination/corrosion. Numerous approaches are reported to effectively mitigate these issues. Indeed, such approaches have shown enhanced lithium–sulfur battery performances. However, many reports overlook the critical parameters, including sulfur loading (<13 mg cm-2), sulfur content (<70 wt%), and electrolyte/sulfur ratio (>11 µL mg-1), that significantly affect the analyzed electrochemical characteristics, energy density, and practicality of lithium–sulfur batteries. This review highlights the trends and progress in making cells fulfilling these fabrication parameters and discuss the challenges of the amount of sulfur and electrolyte in fabricating cells with practically necessary parameters and with high electrochemical utilization and efficiency.

25 ENERGY STORAGE↗

Corrosion and Tribocorrosion Behavior of Ti-B{sub 4}C Composites Joined with TiCuNi Brazing Alloy

Corrosion behavior of joined Ti-B{sub 4}C composites was evaluated in 9 g/L NaCl solution using cyclic polarization and electrochemical impedance spectroscopy. Tribocorrosion behavior was investigated by sliding against an alumina ball under open-circuit potential and potentiodynamic polarization. The results showed that joining did not negatively affect the corrosion behavior of the composites. Regarding tribocorrosion, while joining did not significantly influence the coefficient of friction and total wear volume loss, it resulted in slightly increased electrochemical activity under sliding. These results showed that brazing may be considered as a simple and low-cost technique for joining Ti-B{sub 4}C composites to be operated in tribocorrosive environments.

36 MATERIALS SCIENCE↗

Fischer-Tropsch synthesis: Direct cobalt nitrate reduction of promoted Co/TiO 2 catalysts

The effect of the direct reduction of cobalt nitrate versus the more conventional calcination/reduction treatment has been investigated. Porosity properties of the catalysts are not significantly modified by avoiding the calcination step, as similar BET surface area, pore volume and pore diameter are obtained for the activated catalysts. In contrast, the cobalt reducibility decreases, but smaller cobalt particles size and higher dispersion are obtained. The reduction phenomena occurring for the uncalcined catalysts are more complex because of the additional nitrate decomposition steps. TPR-MS and TPR-XANES point out that CoO x intermediate species are formed during the reductive nitrate decomposition. However, these species are oxidized by NO X (formed by nitrate decomposition) to spinel type Co 3 O 4 , which is then converted to CoO prior to the final reduction step to Co 0 . The addition of promoters (Pt, Re, Ru, Ag) improves the cobalt reducibility, especially by shifting the final reduction step (i.e., CoO to Co 0 ) to lower temperature. FT activity testing data show that activated uncalcined catalysts have higher CO conversion following the initial decline and leveling off period relative to the activated calcined catalyst. We find that the best performance is achieved with uncalcined Pt-12%Co/TiO 2 . This catalyst has the highest CO steady state conversion, which is 1.2 times higher than the Pt-promoted calcined catalyst. Moreover, its deactivation rate is 0.13%/h compared to 0.2%/h for the corresponding calcined catalyst. The difference in the catalytic activity is even higher for the un-promoted samples, where the activated uncalcined catalyst has almost double the CO conversion as compared to its calcined counterpart. Finally, the addition of other promoters such as Ru, Re and Ag has no significant effect on catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coaxial Carbon Nanotube Supported TiO 2 @MoO 2 @Carbon Core–Shell Anode for Ultrafast and High-Capacity Sodium Ion Storage

The sluggish kinetic in electrode materials is one of the critical challenges in achieving high-power sodium ion storage. We report a coaxial core-shell nanostructure composed of carbon nanotube (CNT) as the core and TiO 2 @MoO 2 @C as shells for a hierarchically nanoarchitectured anode for improved electrode kinetics. The 1D tubular nanostructure can effectively reduce ion diffusion path, increase electrical conductivity, accommodate the stress due to volume change upon cycling, and provide additional interfacial active sites for enhanced charge storage and transport properties. Significantly, a synergistic effect between TiO 2 and MoO 2 nanostructures is investigated through ex-situ solid state nuclear magnetic resonance. Furthermore, the electrode exhibits a good rate capability (150 mAh g –1 at 20 A g –1 ) and superior cycling stability with a reversibly capacity of 175 mAh g –1 at 10 A g –1 for over 8000 cycles.

25 ENERGY STORAGE↗

Polypyrrole-encapsulated amorphous Bi 2 S 3 hollow sphere for long life sodium ion batteries and lithium–sulfur batteries

Sodium ion batteries (SIBs) and lithium–sulfur (Li–S) batteries are considered as the most enticing next-generation energy storage devices to displace the widely used lithium ion batteries due to their inherent advantages. In this work, polypyrrole-encapsulated amorphous Bi 2 S 3 hollow spheres are prepared by the sulfuration of Bi–glycol spheres with a polypyrrole (PPy) coating. Benefiting from the unique hollow structure (Kirkendall effect) and the excellent conductivity and flexibility of the PPy coating, this material can be applied in both SIBs and Li–S batteries. For SIBs, the unconductive amorphous Bi 2 S 3 is electrochemically reduced to conductive metallic Bi, leading to a Bi–PPy core–shell structure. The resulting Bi acts as the main active material while the PPy coating accommodates the volume variation of Bi during sodiation/desodiation. For Li–S batteries, the outer double layer structure effectively prevents the dissolution and “shuttle effect” of polysulfides by physically containing and chemically adsorbing polysulfides, and tolerates the volume expansion of sulfur. Meanwhile, the residual polyvinyl pyrrolidone in the preparation process is chemically bonded with sulfur and exhibits the electrochemical properties, and results in additional discharging/charging capacity. Hence, this multifunctional electrode shows excellent rate capability and cycling life in SIBs and Li–S batteries. This research allows new insight into the design of multifunctional electrodes.

25 ENERGY STORAGE↗

Possibilities of soil washing for decontamination at Belgoprocess

Contaminated soils form a large part of the nuclear waste arising from decommissioning activities. The storage and disposal of these large volumes of waste is costly. For this reason techniques which can decontaminate this waste stream to free release levels are economically very interesting. A feasibility study of the possibilities of soil washing to decontaminate such soils was ordered by NIRAS/ONDRAF and performed at Belgoprocess in collaboration with DEC. Initial contamination level and particle size distributions of contaminated soils from three different sources were determined. The main isotopes detected with gamma spectrometry contained in the waste were {sup 241}Am, {sup 137}Cs, {sup 226}Ra, {sup 60}Co and {sup 232}Th. The particle size distribution revealed that more than half of the mass of the quartz sand that makes up the soil has a particle size between 125 and 212 μm. This fraction is less contaminated than the fractions containing smaller particles. However, separation of the fines fraction (< 125 μm) was not enough to achieve the free release limit. Soil attrition was tested as an extra decontamination step for the sand fraction. The removal efficiencies for the different radionuclides contained in the soil were measured. The process conditions were optimized to achieve maximum removal and a treatment method for the secondary waste coming from this process step was determined. The soil washing process was not only performed with water but also with nitric acid to assess the possibilities of a combination of a mechanical and a chemical decontamination process. Reduction efficiencies of 60-80% for the most relevant radionuclides were recorded. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SU-F-J-08: Quantitative SPECT Imaging of Ra-223 in a Phantom

Purpose: Ra-223 therapy of prostate cancer bone metastases is being used to treat patients routinely. However, the absorbed dose distribution at the macroscopic and microscopic scales remains elusive, due to the inability to image the small activities injected. Accurate activity quantification through imaging is essential to calculate the absorbed dose in organs and sub-units in radiopharmaceutical therapy, enabling personalized absorbed dose-based treatment planning methodologies and more effective and optimal treatments. Methods: A 22 cm diameter by 20 cm long cylindrical phantom, containing a 3.52 cm diameter sphere, was used. A total of 2.01 MBq of Ra-223 was placed in the phantom with 177.6 kBq in the sphere. Images were acquired on a dual-head Siemens Symbia T16 gamma camera using three 20% full-width energy windows and centered at 84, 154, and 269 keV (120 projections, 360° rotation, 45 s per view). We have implemented reconstruction of Ra-223 SPECT projections using OS-EM (up to 20 iterations of 10 subsets) with compensation for attenuation using CT-based attenuation maps, collimator-detector response (CDR) (including septal penetration, scatter and Pb x-ray modeling), and scatter in the patient using the effective source scatter estimation (ESSE) method. The CDR functions and scatter kernels required for ESSE were computed using the SIMIND MC simulation code. All Ra-223 photon emissions as well as gamma rays from the daughters Rn-219 and Bi-211 were modeled. Results: The sensitivity of the camera in the three combined windows was 107.3 cps/MBq. The visual quality of the SPECT images was reasonably good and the activity in the sphere was 27% smaller than the true activity. This underestimation is likely due to partial volume effect. Conclusion: Absolute quantitative Ra-223 SPECT imaging is achievable with careful attention to compensate for image degrading factors and system calibration.

60 APPLIED LIFE SCIENCES↗

Mathematical Model for Li-S Cell with Shuttling-Induced Capacity Loss Approximation

Lithium sulfur (Li-S) batteries have the potential to outperform the current lithium ion batteries and transform the technology of the future. However, dissolution, diffusion, and shuttling of the dissolved polysulfides result in parasitic reactions and substantial capacity loss. To provide a better understanding of the shuttling process, a 1D porous electrode mathematical model has been developed in this paper. An approximation method is used to account for the shuttling-induced capacity loss by adding an extra source/sink term in the material balance equations for the species involved in the parasitic reactions. Shuttling constants used in the source terms can be determined by fitting the model predictions to the experimental measurements. Here, the results showed that by including the approximation method, the model was able to predict the active material loss and the continuous decrease of volume fractions of Li 2 S on the cathode surface. The model sheds light on the capacity loss mechanism occurring inside the cell as a result of the shuttling of polysulfides.

25 ENERGY STORAGE↗

The SAND detector for the DUNE experiment

The Deep Underground Neutrino Experiment (DUNE) is a next-generation project aiming to study several neutrino properties. It will feature two experimental setups: a near detector that will be installed at Fermilab, in proximity of the neutrino-production point, and a far detector at a distance of 1300 km and 1500 m underground, at the SURF laboratory. The DUNE design and configuration will allow the study of neutrino oscillation, astrophysical neutrinos, and beyond standard model physics. The near detector complex foresees three detectors to be installed. Among these, the System for on-Axis Neutrino Detection (SAND) will serve as on-axis beam monitor, reduce the systematic uncertainties for the oscillation analysis, and search for physics beyond the standard model. SAND will be composed of three sub-detectors, surrounded by a 0.6 T superconducting magnet. The outermost detector will be a lead/scintillating-fiber electromagnetic calorimeter while the inner volume will include a 1-ton liquid argon active target placed upstream followed by a target tracker system. The SAND detector and its goals will be shown in this poster.

Alemanno, Francesca [Salento U.; INFN, Lecce]↗