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At least 343 records · Page 19

Modeling Coupled Chemo-Mechanical Behavior of Randomly Oriented NMC811 Polycrystalline Li-Ion Battery Cathodes

This paper develops a three-dimensional, transient, chemo-mechanical model that predicts the performance of single secondary particle Li-ion battery cathodes. The secondary particles are composed of numerous (approximately 60) randomly oriented single-crystal primary particles. The model incorporates concentration-dependent and anisotropic material properties. As much as possible, electrochemical, transport, and structural properties for crystalline NMC811 (Li x Ni 0.8 Mn 0.1 Co 0.1 O 2 ) are taken from prior publications. Weak Van der Waals bonding between primary particles is modeled empirically using a spring analogy, which enables local primary-particle separations (disintegration) and subsequent reattachments. The model fully couples Li diffusion and the mechanical response. Results include predictions of local Li-concentrations and stresses. High stresses are found near grain boundaries, especially when the lattice orientations are greatly misaligned. Particle separations are characterized in terms of a damage parameter. The model is used to predict the effects of design and operating conditions, including charge/discharge rates, cycling scenarios, and particle sizes.

25 ENERGY STORAGE↗

Simulation-aided characterization of a versatile water-based condensation particle counter for atmospheric airborne research

Capturing the vertical profiles and horizontal variations of atmospheric aerosols often requires accurate airborne measurements. With the advantage of avoiding health and safety concerns related to the use of butanol or other chemicals, water-based condensation particle counters have emerged to provide measurements under various environments. However, airborne deployments are relatively rare due to the lack of instrument characterization under reduced pressure at flight altitudes. This study investigates the performance of a commercial “versatile” water-based condensation particle counter (vWCPC, model 3789, TSI, Shoreview, MN, USA) under various ambient pressure conditions (500–920 hPa) with a wide range of particle total number concentrations (1500–70 000 cm -3 ). The effect of conditioner temperature on vWCPC 3789 performance at low pressure is examined through numerical simulation and laboratory experiments. We show that the default instrument temperature setting of 30 °C for the conditioner is not suitable for airborne measurement and that the optimal conditioner temperature for low-pressure operation is 27°. Under the optimal conditioner temperature (27°), the 7 nm cut-off size is also maintained. Additionally, we show that insufficient droplet growth becomes more significant under the low-pressure operation. The counting efficiency of the vWCPC 3789 can vary up to 20 % for particles of different chemical compositions (e.g., ammonium sulfate and sucrose particles). However, such variation is independent of pressure.

54 ENVIRONMENTAL SCIENCES↗

Iron, magnesium, and silicon in dust from Comet Halley

The highest-quality impact mass spectrometer data from the Vega-1 and Giotto spacecraft are presently used to study the Mg, Si, and Fe composition of dust grains in Comet Halley. The results thus obtained are in general agreement with previously reported data, but differ with respect to ion ratio dispersions. A lack of sharp clustering in the data indicates that none of the detected particles can be characterized as single mineral grains; an abundant glass content in the solids may be indicated. The best match of the distribution of Fe/(Fe+Mg) is with interplanetary particles containing high temperature, Mg-rich silicates dominated by anhydrous minerals, so that Comet Halley may be a mixture of ice and high-temperature anhydrous minerals.

Lawler, Mark E.↗

An Atmospheric Cloud Physics Laboratory for the Space Laboratory

Results of research and engineering analyses to date show that it is feasible to develop and fly on the first Spacelab mission a multipurpose laboratory in which experiments can be performed on the microphysical processes in atmospheric clouds. The paper presents a series of tables on the Atmospheric Cloud Physics Laboratory, with attention given to experiment classes, the preliminary equipment list (particle generators, optical and imaging devices, particle detectors and characterizers, etc.), initial equipment (scientific equipment subsystems and flight support subsystems), and scientific functional requirements (the expansion chamber, the continuous flow diffusion chamber, the static diffusion chamber, the humidifier, and particle generators).

Smith, R.↗

A Globally Optimal Particle Tracking Technique for Stereo Imaging Velocimetry Experiments

An important phase of any Stereo Imaging Velocimetry experiment is particle tracking. Particle tracking seeks to identify and characterize the motion of individual particles entrained in a fluid or air experiment. We analyze a cylindrical chamber filled with water and seeded with density-matched particles. In every four-frame sequence, we identify a particle track by assigning a unique track label for each camera image. The conventional approach to particle tracking is to use an exhaustive tree-search method utilizing greedy algorithms to reduce search times. However, these types of algorithms are not optimal due to a cascade effect of incorrect decisions upon adjacent tracks. We examine the use of a guided evolutionary neural net with simulated annealing to arrive at a globally optimal assignment of tracks. The net is guided both by the minimization of the search space through the use of prior limiting assumptions about valid tracks and by a strategy which seeks to avoid high-energy intermediate states which can trap the net in a local minimum. A stochastic search algorithm is used in place of back-propagation of error to further reduce the chance of being trapped in an energy well. Global optimization is achieved by minimizing an objective function, which includes both track smoothness and particle-image utilization parameters. In this paper we describe our model and present our experimental results. We compare our results with a nonoptimizing, predictive tracker and obtain an average increase in valid track yield of 27 percent

McDowell, Mark↗

Morphology and particle size (MaPS) exercise: testing the applications of image analysis and morphology descriptions for nuclear forensics

Image analysis techniques have been applied and shown to be a valuable tool in nuclear forensics analysis. The interlaboratory exercise reported here has tested quantitative and qualitative approaches for characterizing nuclear materials. Particle size, surface features and morphology descriptions were compared by four laboratories on a common image set generated by Scanning Electron Microscopy and Digital Light Microscopy. Quantitative analysis of the image sets through the Morphological Analysis for MAterials software highlighted the strength of image analysis, but also that the application of the software alone can introduce significant bias in the analysis. Qualitative morphology descriptions following the process outlined by Tamasi et al. (J Radioanal Nuclear Chem 307:1611–1619, 2015) were compared with a discussion on the robustness and reproducibility of the results. Finally, future work should continue to focus on proficiency and standardization of image analysis through continued exercises within the extended nuclear forensics community.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Molecular identification of organic vapors driving atmospheric nanoparticle growth

Abstract Particles formed in the atmosphere via nucleation provide about half the number of atmospheric cloud condensation nuclei, but in many locations, this process is limited by the growth of the newly formed particles. That growth is often via condensation of organic vapors. Identification of these vapors and their sources is thus fundamental for simulating changes to aerosol-cloud interactions, which are one of the most uncertain aspects of anthropogenic climate forcing. Here we present direct molecular-level observations of a distribution of organic vapors in a forested environment that can explain simultaneously observed atmospheric nanoparticle growth from 3 to 50 nm. Furthermore, the volatility distribution of these vapors is sufficient to explain nanoparticle growth without invoking particle-phase processes. The agreement between observed mass growth, and the growth predicted from the observed mass of condensing vapors in a forested environment thus represents an important step forward in the characterization of atmospheric particle growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Subcentimeter-size particle distribution functions in planetary rings from Voyager radio and photopolarimeter occultation data

Analysis of measurements of the scattered and direct components of Voyager 1 radio occultation signals at 3.5 and 13 cm wavelengths yield estimates of the distribution functions of supracentimeter-size particles and thickness of relatively broad regions in Saturn's rings. If mearurements of signal amplitude at a shorter wavelength are combined with the previously analyzed data, the shape of the distribution functions characterizing the smaller particles can be constrained. If size distributions of arbitrary form were considered, many solutions are found that are consistent with the three available observations of signal amplitude. The best-fit power law was calculated to the three observations at three wavelengths for several of the embedded Saturn ringlets. Mie scattering theory predicts that the measured phase of the radio occultation signal is highly sensitive to particles ranging from 0.1 to 1.0 wavelengths in size, thus additional constraints on the subcentimeter-size distribution functions for both the Saturn and Uranus rings can in principle be derived from radio phase measurements.

Zebker, Howard A.↗

Mesoscale simulation of granular materials under weak shock compaction–pore size distribution effects

This research established a systematic method to generate various pore-size distributions (PSDs) and studied the effect of PSDs on the shock compaction response of granular materials using two-dimensional mesoscale simulations under identical porosity. Simulations utilized various PSDs for three particle shapes (circle, ellipse, and square). Contacting particle configurations using three PSDs, characterized by spatially uniform distributed pores to heterogeneous distributed pores, and non-contacting particle configurations under a single case of PSD were tested. The PSD of generated particle sets was characterized using coordination number, mean diameter, and bimodality coefficient as statistical metrics. Mesoscale simulations showed that regardless of the conditions of pore distributions, shock compaction of granular materials consistently demonstrates a precursor, shock compaction front, and end. However, the shock compaction velocity of contacting particles was dependent on the PSDs despite the constant initial porosity. The compaction velocity was faster in particle configurations with relatively uniform pore distributions than in heterogeneous pore distributions, which our study demonstrated can be attributed to particle rearrangement during compaction. Circular-shaped particles had high sensitivity in shock compaction response to the various PSDs. Furthermore, a contacting particle configuration tended to propagate the shock compaction wave relatively faster than particles that were in a non-contact configuration. This study established the relative importance of considering PSD as a metric over the coordination number in studies of the shock compaction response of granular materials. Further, insights are provided on the evolving shock substructure to characterize the shock compaction response of granular materials.

36 MATERIALS SCIENCE↗

Automated Particle Analysis of Hanford Tank Wastes 241-AN-106, 241-AN-101, and 241-AW-105

This effort is involved in developing particle size and density distribution (PSDD) for the major phases within Hanford tank waste sludge. The object of this work has been to use automated particle analysis (APA) methods on the Scanning Electron Microscope (SEM) to provide PSDDs. The PSDD can be used to quantify the proportion of gibbsite particles likely to settle quickly and enable blending of wastes that may be prone to pipeline plugging such as the uranium phase, clarkeite with other wastes. The Hanford tank waste solids were analyzed with SEM combined with x-ray Energy Dispersive Spectroscopy (EDS) using APA. This method can allow thousands of individual particles to be characterized and so may provide a more representative view of the samples and information PSDDs. We characterized several as-received sludge samples and developed PSDD with APA. Sample preparation methods were found to impact the collected results, as it was more difficult to collect representative samples of the larger particles. Much of the material was also dried and cemented together that further impacted results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of Ejecta Distributions from Normal Incident Hypervelocity Impact on Lunar Regolith Simulant

The National Aeronautics and Space Administration (NASA) is progressing toward long-term lunar habitation. Critical to the design of a lunar habitat is an understanding of the lunar surface environment; of specific importance is the primary meteoroid and subsequent ejecta environment. The document, NASA SP-8013, was developed for the Apollo program and is the latest definition of the ejecta environment. There is concern that NASA SP-8013 may over-estimate the lunar ejecta environment. NASA's Meteoroid Environment Office (MEO) has initiated several tasks to improve the accuracy of our understanding of the lunar surface ejecta environment. This paper reports the results of experiments on projectile impact into powered pumice and unconsolidated JSC-1A Lunar Mare Regolith stimulant (JSC-1A) targets. The Ames Vertical Gun Range (AVGR) was used to accelerate projectiles to velocities in excess of 5 km/s and impact the targets at normal incidence. The ejected particles were detected by thin aluminum foil targets placed around the impact site and angular distributions were determined for ejecta. Comparison of ejecta angular distribution with previous works will be presented. A simplistic technique to characterize the ejected particles was formulated and improvements to this technique will be discussed for implementation in future tests.

Edwards, David L.↗

Activation of intact bacteria and bacterial fragments mixed with agar as cloud droplets and ice crystals in cloud chamber experiments

Biological particles, including bacteria and bacterial fragments, have beenof much interest due to the special ability of some to nucleate ice atmodestly supercooled temperatures. This paper presents results from a recentstudy conducted on two strains of cultivated bacteria which suggest thatbacterial fragments mixed with agar, and not whole bacterial cells, serve ascloud condensation nuclei (CCN). Due to the absence of whole bacteria cellsin droplets, they are unable to serve as ice nucleating particles (INPs) inthe immersion mode under the experimental conditions. Experiments wereconducted at the Aerosol Interaction and Dynamics in the Atmosphere (AIDA)cloud chamber at the Karlsruhe Institute of Technology (KIT) by injectingbacteria-containing aerosol samples into the cloud chamber and inducing cloudformation by expansion over a temperature range of -5 to -12 ° C.Cloud droplets and ice crystals were sampled through a pumped counterflowvirtual impactor inlet (PCVI) and their residuals were characterized with asingle particle mass spectrometer (miniSPLAT). The size distribution of theoverall aerosol was bimodal, with a large particle mode composed of intactbacteria and a mode of smaller particles composed of bacterial fragmentsmixed with agar that were present in higher concentrations. Results fromthree expansions with two bacterial strains indicate that the cloud dropletresiduals had virtually the same size distribution as the smaller particlesize mode and had mass spectra that closely matched those of bacterialfragments mixed with agar. The characterization of ice residuals that weresampled through an ice-selecting PCVI (IS-PCVI) also shows that the sameparticles that activate to form cloud droplets, bacteria fragments mixed withagar, were the only particle type observed in ice residuals. These resultsindicate that the unavoidable presence of agar or other growth media inall laboratory studies conducted on cultivated bacteria can greatlyaffect the results and needs to be considered when interpreting CCN and INactivation data.

54 ENVIRONMENTAL SCIENCES↗

Applying molecular dynamics simulations to the study of micro cold spray of yttria

Micro cold spray (MCS) is a novel manufacturing process with proven success depositing dense, thick films of technical ceramics without the need for elevated processing temperatures or chemical precursors. The process transforms a loose sub-micrometer powder into an adherent film with mechanical properties approaching that of the bulk material through a phenomenon known as room temperature impact consolidation. While this phenomenon has been demonstrated for a wide variety of ceramic materials and film substrates, yttria stands out as a material that is both well-characterized in experiments and of significant interest for industrial applications due to its excellent refractory properties. This dissertation seeks to investigate the fundamental mechanisms that enable room temperature impact consolidation by using molecular dynamics (MD) simulations of yttria particle impacts and characterizing the deformation behavior of the system.

36 MATERIALS SCIENCE↗

Broader Impacts and Outreach Videos on Ocean Physics and Biogeochemistry

This is just a preliminary NF1676 in advance of filming for a project....A convergent team of experts in biology, chemistry, physics, engineering, mathematics, and computational modeling examine how dynamic and coupled phytoplankton-pathogen-particle-predator linkages coalesce to explain the observed high spatial variability in the efficiency of the export of particulate organic carbon (POC) to the deep ocean. They elucidate and quantify the linkages between viruses and ballast minerals to increase understanding of carbon cycling in the oceanic biological carbon pump and the impact of viruses within it. By providing knowledge than can be used to improve the parameterization of carbon export in Earth system models, the project will help reduce uncertainty in regional marine biogeochemical projections, potentially improving marine ecosystem and fisheries management on timescales from seasons to decades. The project includes activities that provide teaching resources and hands-on training to educators within a ‘Tools of Science’ program that provides a simple and succinct way to communicate the process of scientific research to students in a way that is useful to teachers. The project couples laboratory-based experiments on model host-virus-grazer systems with extensive field based observational and manipulative studies on natural populations of diatoms and coccolithophores, the two phytoplankton groups that account for most of the estimated particulate organic matter flux to the deep ocean. Experiments and measurements integrate diagnostic biological and chemical controls on infection and particle coagulation theory with microscale physics and grazing to quantify links to each hypothesized export mechanism under field-relevant turbulent conditions. Cutting-edge engineering and analytical tools are used to diagnose and track infection dynamics while characterizing and quantifying particle aggregation and disaggregation, mineral dissolution, sinking dynamics, grazing rates, and fecal pellet production at unprecedented resolution and under well-defined, microscale physical regimes. Field campaigns elucidate the relative efficiency of hypothesized mechanisms in stimulating POC export in natural blooms, while providing bulk and size-resolved estimates of POC flux.

Daniel B Whitt↗

Mars Science Laboratory Radiation Assessment Detector (MSLRAD) Modeling Workshop Proceedings

The Radiation Assessment Detector (RAD) (Hassler et al., 2012) onboard the Mars Science Laboratory (MSL) Curiosity rover (Grotzinger et al., 2012) has been making detailed measurements of the radiation environment on the surface of Mars since landing on 6 August 2012 (Hassler et al., 2014; Zeitlin et al., 2016). These measurements are the first of their kind on the surface of another planet and are providing essential measurements of the radiation environment on Mars in preparation for a human mission in the coming decades. The objectives of RAD are; 1) to characterize the energetic particle spectrum on the surface of Mars as a function of time in the solar cycle, including direct (galactic cosmic rays and solar energetic particles) and indirect (neutrons, etc.) radiation created in the atmosphere and regolith, 2) to determine the dose and dose‐equivalent rates as a function of time in the solar cycle, and 3) to use these observations to test and validate space radiation transport models. Initial results of the charged particle spectra (Ehresmann et al., 2014) and neutral particle spectrum (Köhler et al., 2014), as well as dose and dose‐equivalent during cruise (Zeitlin et al., 2013) and on the surface (Hassler et al., 2014) have been reported, and with almost five years of continuous measurements, RAD continues to characterize the radiation environment as solar minimum is approached.

Donald M Hassler↗