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At least 1,621 records · Page 90

Cloud Condensation Nuclei Hygroscopicity Value-Added Product Report

The purpose of the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Cloud Condensation Nuclei Hygroscopicity Parameter (AOSCCNSMPSKAPPA and AOSCCNUHSASKAPPA) Value-Added Product (VAP) is to calculate the hygroscopicity parameter, kappa, to quantify the ability of aerosols to activate into cloud water droplets. The hygroscopicity parameter is often used to model the cloud condensation nuclei (CCN) activity of atmospheric aerosols of different sizes and compositions, providing additional insight on the influence of aerosols on climate. The AOSCCNUHSASKAPPA VAP was recently developed to provides kappa data for ARM sites where AOSCCNSMPSKAPPA was missing. Laboratory experiments show that the kappa values for highly hygroscopic aerosols vary from 0.5 to 1.4 (Petters and Kreidenweis 2007). For organic compounds they are observed to vary between 0.01 and 0.5. For non-hygroscopic aerosols, such as soot, kappa values are very close to zero. Ambient aerosols are complex mixtures of organic and inorganic compounds and previous observations indicate that kappa values for these aerosols typically vary from 0.05 to 0.9 (Petters and Kreidenweis 2007).

54 ENVIRONMENTAL SCIENCES↗

CFD and X-ray Analysis of Gaseous Direct Injection from an Outward Opening Injector

Using natural gas in an internal combustion engine (ICE) is emerging as a promising way to improve thermal efficiency and reduce exhaust emissions. In the development of such engine platforms, computational fluid dynamics (CFD) plays a fundamental role in the optimization of geometries and operating parameters. One of the most relevant issues in the simulation of direct injection (DI) gaseous processes is the accurate prediction of the gas jet evolution. The simulation of the injection process for a gaseous fuel does not require complex modeling, nevertheless properly describing high-pressure gas jets remains a challenging task. At the exit of the nozzle, the injected gas is under-expanded, the flow becomes supersonic and shocks occur due to compressibility effects. These phenomena lead to challenging computational requirements resulting from high grid resolution and low computational time-steps. In this paper, the simulation of gaseous injection from an outward opening injector was carried out with the commercial CFD software CONVERGE. Argon was injected into a quiescent chamber filled with Nitrogen. Two free-jet cases with injection pressure of 15 and 10 bar, and ambient pressure of 1 and 2 bar respectively, were tested. For the 15 bar injection pressure and 1 bar ambient pressure, a jet impinging on a barrier case was performed as well. The numerical results were validated against experimental mass measurements using X-ray radiography. The results, presented in terms of 2D maps and transverse sections of equivalent path length of argon, showed good agreement between modeling and experiments in terms of jet penetration, shape and gas mass distribution. These emphasized the significant impact of mesh size on the results for the simulation of this type of injector. Due to the small geometrical dimensions a fine mesh is required in order to deliver an accurate description of the mixture formation. Numerical results were discussed with a particular emphasis on the application to engine simulations, where a trade-off between accuracy and computational time is a necessity.

Bartolucci, Lorenzo↗

Laboratory studies of HNO3/H2O mixtures at low temperatures

The possibility of stratospheric HN3 condensing out of the gas-phase at low temperatures has become important in the chemical explanations of the rapid loss of Antarctic ozone in spring. Consequently, knowledge about the behavior of the vapor pressures of water and HNO3 over HNO3/water mixtures at stratospheric temperatures is needed to determine if HNO3 could condense, and by how much the HNO3 vapor pressure could be depressed. Laboratory investigations of vapor pressures above HNO3/water mixtures are described. Vapor pressures were initially measured over liquid and frozen bulk mixtures contained in a glass still which was attached to a stainless steel vacuum chamber. The total pressure in the chamber was monitored with a precision pressure sensor, and the vapor pressures of HNO3, water and impurities were analyzed with a mass spectrometer beam system. In a second set of experiments, vapor deposits were made to produce ice and the mono- and trihydrate of HNO3. Further data and conclusions are presented.

Hanson, David↗

Craft Stick Beams

The objective of this exercise is to provide a phenomenological 'hands-on' experience that shows how geometry can affect the load carrying capacity of a material used in construction, how different materials have different failure characteristics, and how construction affects the performance of a composite material. This will be accomplished by building beams of a single material and composite beams of a mixture of materials (popsicle sticks, fiberboard sheets, and tongue depressors); testing these layered beams to determine how and where they fail; and based on the failure analysis, designing a layered beam that will fail in a predicted manner. The students will learn the effects of lamination, adhesion, and geometry in layered beam construction on beam strength and failure location.

Karplus, Alan K.↗

MRI Measurements and Granular Dynamics Simulation of Segregation of Granular Mixture

A counter intuitive axial segregation phenomenon in a rotating horizontal cylinder has recently captured attention of many researchers in different disciplines. There is a growing consensus that the interplay between the particle dynamics and the evolution of the internal structure during the segregation process must be carefully investigated. Magnetic resonance imaging (MRI) has been used to non-invasively obtain much needed dynamic/static information such as velocity and concentration profiles, and it has proven to be capable of depicting the evolution of segregation processes. Segregation in a rotating cylinder involves two processes: the first is to transport small particles in the radial direction to form a radial core, and the second is to transform the radial core into axially segregated bands. Percolation and/or "stopping" have been proposed as mechanisms for the radial segregation. As to mechanisms for axial band formation, much less is known. The difference in the dynamic angle of repose has been proposed to segregate different components in the axial direction. Recently, Hill and Kakalios have reported that particles mix or demix depending upon the competition between diffusion and preferential drift whose order can be determined by the dynamic angle of repose through the adjustment of the rotation rate. We claim that the dynamic angle of repose could be one of the causes, however, it fails to offer reasonable explanations for certain aspects of the axial migration. For example, we always observe that the radial segregation precedes the axial segregation and small particles migrate in the radial direction to form an axially extended radial core. It then transforms into axially segregated bands. By definition, the effects of the dynamic angle of repose are restricted near the free surface where the flowing layer is present. However, during the process of transforming from the radially segregated core to axially segregated bands, small particles located in the deep core region, which is untouched by the flowing layer, also completely disappear. Usually, the dynamics angle of repose are uniquely defined for individual species to characterize particle properties, and the dynamic angle of repose thus defined provides little information for the dynamic angle of repose of the mixture since the concentration ratio and the internal packing structure do not remain the same during the segregation processes. Under microgravity environment, the dynamics angle of repose argument does not hold since there is simply no flowing layer to influence/determine the preferred directions of segregation. We have thus designed an experiment so that the effects of the dynamic angle of repose can be minimized by filling the cylinder almost completely full. Small particles still formed a radial core and also migrated to form axial bands. As ground based experiments we have designed and conducted both 2D and 3D segregation experiments. The 2D experiments are performed using a thin cylinder (the gap between two end caps is about 5 mm) filled with different combinations of particles. The 3D experiments are conducted with a long cylinder of its length and diameter of 27cm and 7cm, respectively. Results of 2D experiments indicate that different mechanisms govern particle motion in regions near and far from the axis of rotation. Results of 3D experiments indicate that a series of collapses of microstructures of particle packing (micro-collapses) may be responsible for the creation of voids for small particles to migrate through in the axial direction. We have successfully eliminated the dynamic angle of repose as a cause for segregation, however, by almost completely filling the cylinder with the particles, we have lost an opportunity to investigate a possibility of particle "mobility" being a cause for segregation which requires a flowing surface but not the difference in the angle of repose. This is currently being investigated.

Nakagawa, M.↗

Parametric Investigation of Thrust Augmentation by Ejectors on a Pulsed Detonation Tube

A parametric investigation has been made of thrust augmentation of a 1 inch diameter pulsed detonation tube by ejectors. A set of ejectors was used which permitted variation of the ejector length, diameter, and nose radius, according to a statistical design of experiment scheme. The maximum augmentations for each ejector were fitted using a polynomial response surface, from which the optimum ejector diameters, and nose radius, were found. Thrust augmentations above a factor of 2 were measured. In these tests, the pulsed detonation device was run on approximately stoichiometric air-hydrogen mixtures, at a frequency of 20 Hz. Later measurements at a frequency of 40 Hz gave lower values of thrust augmentation. Measurements of thrust augmentation as a function of ejector entrance to detonation tube exit distance showed two maxima, one with the ejector entrance upstream, and one downstream, of the detonation tube exit. A thrust augmentation of 2.5 was observed using a tapered ejector.

Wilson, Jack↗

Anaerobic co-digestion of sugarcane press mud with vinasse on methane yield

Highlights: • Press mud and vinasse co-digestion was investigated. •Methane yield during co-digestion was 64% higher to mono-digestion. • Press mud and vinasse co-digestion increased process stability. - Abstract: The conversion efficiency of high solids waste digestion as sugarcane press mud (P) may be limited due to hydrolysis step. The option of co-digestion with vinasse, main liquid waste generated from ethanol production, was investigated under batch regime at mesophilic conditions (37.5 ± 1 °C) and the best mixture was evaluated under semicontinuous regime in stirred-tank reactors. The maximum values for methane yield in batch tests were for V{sub 75}/P{sub 25} and V{sub 50}/P{sub 50} mixtures (on basis of the chemical oxygen demand (COD) percentage added in the mixture), with an average value of 246 N mL CH{sub 4} g{sup −1} COD{sub fed}, which was 13% higher than that of press mud alone. A highest methane production rate of 69.6 N mL CH{sub 4} g{sup −1} COD{sub fed}{sup −1} d{sup −1} was obtained for the mixtureV{sub 75}/P{sub 25}. During the experiment carried out in CSTR reactors, the organic loading rate (OLR) was increased from 0.5 up to 2.2 g VS L{sup −1} d{sup −1}. Methane yields of 365 L CH{sub 4} kg{sup −1} VS and biogas productivities of 1.6 L L{sup −1} were obtained in co-digestion, which was 64% higher in comparison to mono-digestion. The performance of the process in mono-digestion was less stable than in co-digestion, with a significant fall of methane yield to 1.8 kg VS m{sup −3} d{sup −1}, and a partial inhibition of the methanogenic archaeas when the OLR was increased up to 2.2 kg VS m{sup −3} d{sup −1}. The co-digestion of vinasse with press mud is a good option for the treatment of streams at the alcohol-sugar industry.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Co-assembly of Peptide Amphiphiles and Lipids into Supramolecular Nanostructures Driven by Anion–π Interactions

Co-assembly of binary systems driven by specific non-covalent interactions can greatly expand the structural and functional space of supramolecular nanostructures. We report here on the self-assembly of peptide amphiphiles and fatty acids driven primarily by anion–π interactions. The peptide sequences investigated were functionalized with a perfluorinated phenylalanine residue to promote anion–π interactions with carboxylate headgroups in fatty acids. These interactions were verified here by NMR and circular dichroism experiments as well as investigated using atomistic simulations. Positioning the aromatic units close to the N-terminus of the peptide backbone near the hydrophobic core of cylindrical nanofibers leads to strong anion–π interactions between both components. With a low content of dodecanoic acid in this position, the cylindrical morphology is preserved. However, as the aromatic units are moved along the peptide backbone away from the hydrophobic core, the interactions with dodecanoic acid transform the cylindrical supramolecular morphology into ribbon-like structures. Increasing the ratio of dodecanoic acid to PA leads to either the formation of large vesicles in the binary systems where the anion–π interactions are strong, or a heterogeneous mixture of assemblies when the peptide amphiphiles associate weakly with dodecanoic acid. Furthermore, our findings reveal how co-assembly involving designed specific interactions can drastically change supramolecular morphology and even cross from nano to micro scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of nanostructuring on the elastic properties of aluminum alloy AMg6

We experimentally investigated the nanostructuring effect on the elastic properties of aluminum alloy AMg6 (Al–Mg–Mn system). The n-AMg6 nanostuctured specimens were prepared from a commercial polycrystalline alloy by refining and homogenizing a mixture of small chips of the alloy in a planetary mill. The resulting product consists of 200-500-micron agglomerates of nanoparticles with average nanoparticle size ∼ 40–60 nanometer according to the X-ray analysis. The compacted nanopowder was extruded at a temperature of 300°C with a reduction of cross-sectional area at least 4 times to 90 mm diameter. High resolution transmission electron microscopy studies confirmed the presence of the nanostructure with a grain size of ∼60 nanometers. For the experiments, nine parallelepiped shape specimens of 20×20×40 mm{sup 3} size were cut from the central and peripheral parts of the n-AMg6 rod. We measured of the second-order and third-order elastic coefficients of the obtained samples by ultrasonic method. The same measurements were made on specimens of the primary AMg6 alloy for comparison.

36 MATERIALS SCIENCE↗

On the Bayesian calibration of computer model mixtures through experimental data, and the design of predictive models

For many real systems, several computer models may exist with different physics and predictive abilities. To achieve more accurate simulations/predictions, it is desirable for these models to be properly combined and calibrated. Here, we propose the Bayesian calibration of computer model mixture method which relies on the idea of representing the real system output as a mixture of the available computer model outputs with unknown input dependent weight functions. The method builds a fully Bayesian predictive model as an emulator for the real system output by combining, weighting, and calibrating the available models in the Bayesian framework. Moreover, it fits a mixture of calibrated computer models that can be used by the domain scientist as a mean to combine the available computer models, in a flexible and principled manner, and perform reliable simulations. It can address realistic cases where one model may be more accurate than the others at different input values because the mixture weights, indicating the contribution of each model, are functions of the input. Inference on the calibration parameters can consider multiple computer models associated with different physics. The method does not require knowledge of the fidelity order of the models. We provide a technique able to mitigate the computational overhead due to the consideration of multiple computer models that is suitable to the mixture model framework. We implement the proposed method in a real-world application involving the Weather Research and Forecasting large-scale climate model.

97 MATHEMATICS AND COMPUTING↗

Unraveling the Combined Photothermal Stability of Common Perovskite Solar Cell Compositions

In halide perovskite solar cells, certain compositions, especially those with a high mixture of anions, degrade rapidly. Here, in this study, a degradation study compares the photo (exposure to light), thermal (exposure to elevated temperatures), and photo-plus-thermal (combination) stability of three representative perovskite compositions chosen for their relatively high performance and to independently test anion versus cation effects. Based upon experience and reports, the compositions studied are triple cation with a high Br ratio (Cs 0.05 (FA 0.98 MA 0.02 ) 0.95 Pb(I 0.5 Br 0.5 ) 3 ), all iodide with a moderately high Cs ratio (FA 0.8 Cs 0.2 PbI 3 ), and FA-dominated triple cation (Cs 0.05 (FA 0.98 MA 0.02 ) 0.95 Pb(I 0.98 Br 0.02 ) 3 ). Cs 0.05 (FA 0.98 MA 0.02 ) 0.95 Pb(I 0.98 Br 0.02 ) 3 displayed the best combined photo-plus-thermal stability. Degradation mechanisms were investigated by comparing the morphology, surface composition, and bulk and interface carrier dynamics. Under the harshest aging conditions (photo-plus-thermal), phase segregation and vaporization of organic cations occurred, along with the appearance of high-energy states indicating the interaction with C 60 . The findings were verified on perovskite films blade-coated in air used in devices (FTO/NiOx/SAM/Perovskite/C 60 /BCP/Cu), achieving an efficiency of 21.9% alongside correlated stability.

14 SOLAR ENERGY↗

Bilayer Thickness Mismatch Controls Domain Size in Model Membranes

The observation of lateral phase separation in lipid bilayers has received considerable attention, especially in connection to lipid raft phenomena in cells. It is widely accepted that rafts play a central role in cellular processes, notably signal transduction. While micrometer-sized domains are observed with some model membrane mixtures, rafts much smaller than 100 nm beyond the reach of optical microscopy are now thought to exist, both in vitro and in vivo. We have used small-angle neutron scattering, a probe free technique, to measure the size of nanoscopic membrane domains in unilamellar vesicles with unprecedented accuracy. These experiments were performed using a four-component model system containing fixed proportions of cholesterol and the saturated phospholipid 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC), mixed with varying amounts of the unsaturated phospholipids 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and 1,2-dioleoylsn- glycero-3-phosphocholine (DOPC). We find that liquid domain size increases with the extent of acyl chain unsaturation (DOPC:POPC ratio). Furthermore, we find a direct correlation between domain size and the mismatch in bilayer thickness of the coexisting liquid-ordered and liquid-disordered phases, suggesting a dominant role for line tension in controlling domain size. While this result is expected from line tension theories, we provide the first experimental verification in free-floating bilayers. Importantly, we also find that changes in bilayer thickness, which accompany changes in the degree of lipid chain unsaturation, are entirely confined to the disordered phase. Together, these results suggest how the size of functional domains in homeothermic cells may be regulated through changes in lipid composition.

Heberle, Frederick A↗

AGES: Automated Gas Environment System for in situ neutron powder diffraction

High fluxes available at modern neutron and synchrotron sources have opened up a wide variety of in situ and operando studies of real processes using scattering techniques. This has allowed the user community to follow chemistry in the beam, which often requires high temperatures, gas flow, etc. In this paper, we describe an integrated gas handling system for the general-purpose powder diffraction beamline Powgen at the Spallation Neutron Source. The Automated Gas Environment System (AGES) allows control of both gas flow and temperature (room temperature to 850 °C), while measuring the partial pressure of oxygen and following the effluent gas by mass spectrometry, concurrent with neutron powder diffraction, in order to follow the structural evolution of materials under these conditions. The versatility of AGES is illustrated by two examples of experiments conducted with the system. In solid oxide fuel cell electrode materials, oxygen transport pathways in double perovskites PrBaCo 2 O 5+δ and NdBaCo 2 O 5+δ were elucidated by neutron diffraction measurements under atmosphere with oxygen partial pressures (pO 2 ) of 10 –1 to 10 –4 (achieved using mixtures of nitrogen and oxygen) and temperatures from 575 to 850 °C. In another example, the potential oxygen storage material La 1–x Sr x FeO 3 was measured under alternating flows of 15% CH 4 in N 2 and air (20% O 2 in N 2 ) at temperatures from 135 to 835 °C. As a result, from the oxygen stoichiometry, the optimal composition for oxygen storage was determined.

47 OTHER INSTRUMENTATION↗

Data-driven prediction of the output composition of an atmospheric pressure plasma jet

Cold atmospheric plasma (CAP) in open air hosts numerous chemical species engaged in thousands of chemical reactions. Comprehensive diagnosis of its chemical composition is important across various fields from medicine, where reactive oxygen and nitrogen play key roles, to surface modification. In applications, a centimeter-scale helium–air jet operates for minutes, featuring micrometer-sized streamers and an atmospheric pressure-induced collision frequency in the hundreds of GHz range. To address this intricate multi-scale issue, we introduce a machine learning approach: using a physics-informed neural network (PINN) to tackle the multi-scale complexities inherent in predicting the complete list of species concentrations, gas temperature, and electron temperature of a CAP jet supplied with a mixture of helium and air. Experimental measurements of O 3 , N 2 O, and NO 2 concentrations downstream of the plasma jet, combined with fundamental physics laws, the conservation of mass and charge, constrain the PINN, enabling it to predict the concentrations of all species that are not available from the experiment, along with gas and electron temperatures. The results, therefore, obey all the physical laws we provided and can have a chemical balance with the measured concentrations. In conclusion, this methodology holds promise for describing and potentially regulating complex systems with limited experimental datasets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Understanding the depletion of electrons in dusty plasmas at atmospheric pressure

The nucleation and growth of NPs in the gas phase using atmospheric-pressure plasma systems is an important approach to synthesizing novel dimensionally-controlled materials. In this paper, we investigated the effect of the NPs on a typical type of continuous-flow, substrate-free plasma at atmospheric pressure to understand their potential contribution to electron density changes. A tandem plasma system was set up consisting of one plasma reactor that produced carbonaceous NPs from mixtures of argon and hexane, and another identical plasma reactor where the as-grown particles were injected and non-intrusive electrical and optical measurements were performed. The electron densities obtained from conductivity measurements and a plasma fluid model were found to decrease in the presence of NPs. However, control experiments revealed that the main source of the electron depletion was residual vapor or reaction byproducts in the form of molecular species or nanoclusters and not the particles themselves. These results were validated by constant number Monte Carlo simulations which showed that at the experimentally-measured conditions, the NPs were not of sufficiently high enough concentration to reduce the electron density; however, if molecules or clusters are ionizable, they remain in sufficient concentration to deplete electron densities. Our study shows that at atmospheric pressure, because of their typically larger electron density values, particle-producing plasmas are distinct from those at low pressure, and nanoparticle formation does not have the same impact while molecular-scale species may be a more important consideration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Limitation of tritium outgassing from tritiated solid waste drums

In the framework of the development of fusion thermonuclear reactors, tritiated solid waste is foreseen and will have to be managed. The management of tritiated waste implies limitations in terms of activity and tritium degassing. The degassing tritium can be under the form of tritiated hydrogen, tritiated water and, in some specific cases, negligible amount of tritiated volatile organic compound. Hence, considering the major forms of degassing tritium, CEA has developed a mixed-compound dedicated to tritium trapping in drums. Based on several experiments, the foreseen mixed compound is composed of MnO{sub 2}, Ag{sub 2}O, Pt and molecular sieve, the three first species having the ability to convert tritiated hydrogen into tritiated water and the last one acting as a trap for tritiated water. To assess the performance of the trapping mixture, experimental tests were performed at room temperature on tritiated dust composed of beryllium and carbon. It was shown that the metallic oxides mixture used for tritiated hydrogen conversion is efficient and that tritiated water adsorption was limited due to an inefficient regeneration of the molecular sieve prior to its use. Apart from this point, the tritium release from waste was reduced by a factor of 5.5, which can be improved up to 87 if the adsorption step is efficient.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Oak Ridge National Laboratory Analysis of Waste Isolation Pilot Plant Samples: Integrated Summary Report

Nondestructive and destructive analytical methods were used to analyze samples of debris collected from the top of R15 C5, the lip of R16 C4, the parent drum, and the continuous air monitor (CAM) and fixed air sampler (FAS) filters in addition to MgO samples collected from the tops of R14 C2, R14 C4, R14 C6 and R16 C4. The analytical evidence supports the conclusion that an exothermic oxidation reaction of Swheat Scoop® by metal nitrate salts produced sufficient quantities of gas to breach drum 68660. The metals and the acidic environment found in drum 68660 are known to accelerate these oxidation reactions. Moreover, the ratio of metal nitrate salts in drum 68660 was in a range in which a low melting eutectic mixture could form, which would also accelerate the oxidation reactions. Nitrated organics were not detected and they are not necessary to produce the exothermic reaction leading to the breach of drum 68660. All the contents of the drum were not consumed and the material ejected from drum 68660 either did not experience temperatures over 200 °C, or their exposure to elevated temperatures was very limited in duration (<seconds).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of hecter fuel with export aviation gasoline

Among the fuels which will operate at compression ratios up to at least 8.0 without preignition or "pinking" is hecter fuel, whence a careful determination of its performance is of importance. For the test data presented in this report the hecter fuel used was a mixture of 30 per cent benzol and 70 per cent cyclohexane, having a low freezing point, and distilling from first drop to 90 per cent at nearly a constant temperature, about 20 degrees c. below the average distillation temperature ("mean volatility") of the x gasoline (export grade). The results of these experiments show that the power developed by hecter fuel is the same as that developed by export aviation gasoline at about 1,800 r.p.m. at all altitudes. At lower speeds differences in the power developed by the fuels become evident. Comparisons at ground level were omitted to avoid any possibility of damaging the engine by operating with open throttle on gasoline at so high a compression. The fuel consumption per unit power based on weight, not volume, averaged more than 10 per cent greater with hecter than with x gasoline. The thermal efficiency of the engine when using hecter is less than when using gasoline, particularly at higher speeds. A generalization of the difference for all altitudes and speeds being 8 per cent. A general deduction from these facts is that more hecter is exhausted unburnt. Hecter can withstand high compression pressures and temperature without preignition. (author)

Dickinson, H C↗