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At least 1,261 records · Page 70

Middle Atmosphere of the Southern Hemisphere (MASH) Global meteor observations system (GLOBMET) Solar Spectral Irradiance Measurements (SSIM) Global Observations and Studies of Stratospheric Aerosols (GOSSA): Progress with the MASH project

The aim of the MASH project is to study the dynamics of the middle atmosphere in the Southern Hemisphere, emphasizing inter-hemispheric differences. Both observational data and data from simulations with numerical models are being used. It is intended that MASH will be complemented by parallel studies on the transport and photochemistry of trace species in the Southern Hemisphere. Impetus for such studies has come from the unexpected finding of a springtime ozone hole over Antarctica. A summary of recent progress with the MASH project is given. Data from polar orbiting satellites are used to discuss the large scale circulation found in the Southern Hemisphere at extratropical latitudes. Comparisons are made with that of the Northern Hemisphere. Particular attention is paid to the springtime final warming, the most spectacular large scale phenomenon in the statosphere of the Southern Hemisphere. The circulation before and after this event has to be taken into account in theories for the formation and subsequent disappearance of the ozone hole.

Oneill, A.↗

Simulation of high-speed (orbital) releases of electron attachment materials in the ionosphere

The dynamics of ionospheric plasma irregularities produced by the release of electron attachment materials at orbital velocities across the geomagnetic field is studied. A two-dimensional electrostatic fluid model which includes electron attachment and mutual neutralization chemistry, self-consistent electric fields, and three-species transport is developed. Numerical simulations are performed to study the behavior at early and at late times after the release. At early times, of the order of or less than the attachment material neutral collision time, the negative ion cloud produced by the release may structure owing to the shear in the E x B velocity within the cloud. At high altitudes the cloud may bifurcate and form vortices on the back. At lower altitudes where ion-neutral collisional effects dominate, this structuring is suppressed. At late times, after a plasma depletion has formed due to neutralization chemistry, the cloud structures by the E x B interchange instability. Depending on the release altitude, the depletion structures by the collisional or inertial limit of this instability.

Scales, W. A.↗

Dynamics of phase separation of binary fluids

The results of molecular-dynamics studies of surface-tension-dominated spinodal decomposition of initially well-mixed binary fluids in the absence and presence of gravity are presented. The growth exponent for the domain size and the decay exponent of the potential energy of interaction between the two species with time are found to be 0.6 +/- 0.1, inconsistent with scaling arguments based on dimensional analysis.

Ma, Wen-Jong↗

Effect of Gravity Level on the Particle Shape and Size During Zeolite Crystal Growth

A microscopic diffusion model is developed to represent solute transport in the boundary layer of a growing zeolite crystal. This model is used to describe the effect of gravity on particle shape and solute distribution. Particle dynamics and crystal growth kinetics serve as the boundary conditions of flow and convection-diffusion equations. A statistical rate theory is used to obtain the rate of solute transport across the growing interface, which is expressed in terms of concentration and velocity of solute species. Microgravity can significantly decrease the solute velocity across the growing interface compared to its earth-based counterpart. The extent of this reduction highly depends on solute diffusion constant in solution. Under gravity, the flow towards the crystal enhances solute transport rate across the growing interface while the flow away from crystals reduces this rate, suggesting a non-uniform growth rate and thus an elliptic final shape. However, microgravity can significantly reduce the influence of flow and obtain a final product with perfect spherical shape. The model predictions compare favorably with the data of space experiment of zeolites grown in space.

Song, Hong-Wei↗

Seasonal Changes in Titan's Southern Stratosphere

In August 2009 Titan passed through northern spring equinox, and the southern hemisphere passed into fall. Since then, the moon's atmosphere has been closely watched for evidence of the expected seasonal reversal of stratospheric circulation, with increased northern insolation leading to upwelling, and consequent downwelling at southern high latitudes. If the southern winter mirrors the northern winter, this circulation will be traced by increases in short-lived gas species advected downwards from the upper atmosphere to the stratosphere. The Cassini spacecraft in orbit around Saturn carries on board the Composite Infrared Spectrometer (CIRS), which has been actively monitoring the trace gas populations through measurement of the intensity of their infrared emission bands (7-1000 micron). In this presentation we will show fresh evidence from recent CIRS measurements in June 2012, that the shortest-lived and least abundant minor species (C3H4, C4H2, C6H6, HC3N) are indeed increasing dramatically southwards of 50S in the lower stratosphere. Intriguingly, the more stable gases (C2H2, HCN, CO2) have yet to show this trend, and continue to exhibit their 'summer' abundances, decreasing towards the south pole. Possible chemical and dynamical explanations of these results will be discussed , along with the potential of future CIRS measurements to monitor and elucidate these seasonal changes.

Nixon, C. A.↗

Alabama Ground Operations during the Deep Convective Clouds and Chemistry Experiment

The Deep Convective Clouds and Chemistry (DC3) field campaign investigates the impact of deep, midlatitude convective clouds, including their dynamical, physical and lighting processes, on upper tropospheric composition and chemistry. DC3 science operations took place from 14 May to 30 June 2012. The DC3 field campaign utilized instrumented aircraft and ground ]based observations. The NCAR Gulfstream ]V (GV) observed a variety of gas ]phase species, radiation and cloud particle characteristics in the high ]altitude outflow of storms while the NASA DC ]8 characterized the convective inflow. Groundbased radar networks were used to document the kinematic and microphysical characteristics of storms. In order to study the impact of lightning on convective outflow composition, VHF ]based lightning mapping arrays (LMAs) provided detailed three ]dimensional measurements of flashes. Mobile soundings were utilized to characterize the meteorological environment of the convection. Radar, sounding and lightning observations were also used in real ]time to provide forecasting and mission guidance to the aircraft operations. Combined aircraft and ground ]based observations were conducted at three locations, 1) northeastern Colorado, 2) Oklahoma/Texas and 3) northern Alabama, to study different modes of deep convection in a variety of meteorological and chemical environments. The objective of this paper is to summarize the Alabama ground operations and provide a preliminary assessment of the ground ]based observations collected over northern Alabama during DC3. The multi ] Doppler, dual ]polarization radar network consisted of the UAHuntsville Advanced Radar for Meteorological and Operational Research (ARMOR), the UAHuntsville Mobile Alabama X ]band (MAX) radar and the Hytop (KHTX) Weather Surveillance Radar 88 Doppler (WSR ]88D). Lightning frequency and structure were observed in near real ]time by the NASA MSFC Northern Alabama LMA (NALMA). Pre ]storm and inflow proximity soundings were obtained with the UAHuntsville mobile sounding unit and the Redstone Arsenal (QAG) morning sounding.

Carey, Lawrence↗

Three Stage Cool Flame Droplet Burning Behavior of n-Alkane Droplets at Elevated Pressure Conditions: Hot, Warm and Cool Flame

Transient, isolated n-alkane droplet combustion is simulated at elevated pressure for helium-diluent substituted-air mixtures. We report the presence of unique quasi-steady, three-stage burning behavior of large sphero-symmetric n-alkane droplets at these elevated pressures and helium substituted ambient fractions. Upon initiation of reaction, hot-flame diffusive burning of large droplets is initiated that radiatively extinguishes to establish cool flame burning conditions in nitrogen/oxygen “air” at atmospheric and elevated pressures. However, at elevated pressure and moderate helium substitution for nitrogen ( X He > 20%), the initiated cool flame burning proceeds through two distinct, quasi-steady-state, cool flame burning conditions. The classical “Hot flame ” ( ∼1500 K) radiatively extinguishes into a “Warm flame ” burning mode at a moderate maximum reaction zone temperature ( ∼ 970 K), followed by a transition to a lower temperature ( ∼765 K), quasi-steady “Cool flame ” burning condition. The reaction zone (“flame”) temperatures are associated with distinctly different yields in intermediate reaction products within the reaction zones and surrounding near-field, and the flame-standoff ratios characterizing each burning mode progressively decrease. The presence of all three stages first appears with helium substitution near 20%, and the duration of each stage is observed to be strongly dependent on helium substitutions level between 20–60%. For helium substitution greater than 60%, the hot flame extinction is followed by only the lower temperature cool flame burning mode. In addition to the strong coupling between the diffusive loss of both energy and species and the slowly evolving degenerate branching in the low and negative temperature coefficient (NTC) kinetic regimes, the competition between the low-temperature chain branching and intermediate-temperature chain termination reactions control the “Warm” and “Cool ” flame quasi-steady conditions and transitioning dynamics.

Droplet Combustion↗

Separations Consortium: Lignin Rich Stream Fractionation and Purification

In support of the Bioenergy Technologies Office in converting lignin to fuels and chemicals, this project develops scalable separations based on membranes and Electordeionization (EDI) to recover low molecular weight (LMW) compounds from lignin rich streams. The project addresses three technology barriers in developing the bioeconomy; (1) Cost of production (2) Selective separation of organic acid species, and (3) Advanced bioprocess development. Specifically, membrane cascades using Tangential Flow Filtration (TFF) are investigated for the recovery of LMW lignin compounds from lignin rich streams such as Alkaline Pretreatment Liquor (APL), Reductive Catalytic Fractionation (RCF) oil, and Catalytic Oxidation oil. Process concepts, including dynamic filtration, are investigated to meet specific performance targets indicated by the consortium's Industrial Advisory Board for the membrane filtration including maintaining permeance > 1 LMH/bar and an overall cost target of < $1/kg of LMW lignin. EDI is investigated as an integral part of the membrane cascade to recover LMW aromatic acids and as an alternative to nanofiltration. Economic analysis of the processes is presented with a focus on minimizing energy consumption and capital expenditure. Furthermore, a sensitivity analysis is presented to identify key cost drivers and optimize holistic process operating conditions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Molecular understanding of ion transport in a zwitterionic electrolyte

Zwitterions (ZIs) are unique molecules that carry both positive and negative charges, resulting in overall charge neutrality and high dielectric constants. These distinctive properties have enabled broad applications of zwitterionic functionality, including the emerging use of ZIs in lithium-ion battery electrolytes. As a contribution to this developing field, we use all-atom molecular dynamics simulations to investigate the ion transport mechanisms in amorphous mixtures of a zwitterionic liquid containing a range of LiTFSI salt concentrations. Furthermore, the local coordination environment around the Li + ions plays a strong role in governing ionic conductivity, as well as the enhancement of Li + transport numbers with increasing salt concentration. Addition of small amounts of water leads to increased conductivity and ion mobilities due to the water coordinating with the Li + ions, which reduces direct interactions with larger charged species.

Classical molecular dynamic simulations↗

Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica

Here, we present a combined molecular dynamics (MD) simulation and X-ray absorption fine structure (XAFS) spectroscopic investigation of aqueous iron adsorption on nanoconfined amorphous silica surfaces. The simulation models examine the effects of pore size, pH (surface charge), iron valency, and counter-ion (chloride or hydroxide). The simulation methods were validated by comparing the coordination environment of adsorbed iron with coordination numbers and bond lengths derived from XAFS. In the MD models, nanoconfinement effects on local iron coordination were investigated by comparing results for unconfined silica surfaces and in confined domains within 2 nm, 4 nm, and 8 nm pores. Experimentally, coordination environments of iron adsorbed onto mesoporous silica with 4 nm and 8 nm pores at pH 7.5 were investigated. The effect of pH in the MD models was included by simulating Fe(II) adsorption onto negatively charged SiO 2 surfaces and Fe(III) adsorption on neutral surfaces. The simulation results show that iron adsorption depends significantly on silica surface charge, as expected based on electrostatic interactions. Adsorption on a negatively charged surface is an order of magnitude greater than on the neutral surface, and simulated surface coverages are consistent with experimental results. Pore size effects from the MD simulations were most notable in the adsorption of Fe(II) at deprotonated surface sites (SiO - ), but adsorption trends varied with concentration and aqueous Fe speciation. The coordination environment of adsorbed iron varied significantly with the type of anion. Considerable ion pairing with hydroxide anions led to the formation of oligomeric surface complexes and aqueous species, resulting in larger iron hydroxide clusters at higher surface loadings.

54 ENVIRONMENTAL SCIENCES↗

Time-, space-, and molecule-resolved multiple plasma reactive species in complex settings using an innovative approach of cavity ringdown spectroscopy (Project Final Report)

The primary research goal of this 2-year project is to demonstrate the feasibility of an innovative approach to measure reactive plasma species in the most challenging settings: right on the surface of water and under water. We propose to use the Brewster angle-cavity ringdown spextroscopy (BA-CRDS). Research objectives include: 1) Measurements of OH and NO in the plasma gas-phase zone (Z1) using different types of LTP sources including continuous and pulsed plasma jets, sheets, torches, etc. 2) Measurements of OH and NO in the multiphase reaction zones, right on the surface of water (Z2) and under water (Z3). 3) RS formation and loss mechanisms and reaction dynamics in the three zones. 4) Generalization of the proposed system to be configurable with other selected innovative techniques for other LTP parameters; invitation of selected PIs to form a strong collaborative team to pursue the follow-up effort (Category-2).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Drivers and ecological impacts of a wildfire outbreak in the southern Appalachian Mountains after decades of fire exclusion

During one of the warmest and driest droughts of the last century, the southern Appalachian Mountains experienced a regional outbreak of over a dozen large wildfires in late fall of 2016. We provide a synthesis of long-term forest changes leading up to the 2016 wildfires, examine the climatic setting and patterns of burn severity in relationship to topography, and discuss the ecological and management implications of these and future fires. During the pre- and post-European settlement periods, frequent low- and mixed-severity wildfires interacted with complex topographic gradients and maintained heterogenous landscapes dominated by several species of oak (Quercus spp.), pine (Pinus spp.), and the American chestnut (Castanea dentata). Land-use changes associated with European settlement, loss of the American chestnut, and 20th century fire exclusion resulted in large scale shifts towards mesic, fire-intolerant species (i.e. mesophication). Wildfire activity began increasing in the early 1980s, but most fires in the region are small (<1,000 ha). In Fall of 2016, deciduous tree leaf fall occurred concurrently with a period of anomalously dry and warm weather, creating ideal conditions for fire ignition and spread. Thousands of ignitions across the region strained suppression resources and eight fires grew to greater than 5,000 ha. The 2016 fires were larger and burned more area than in the previous three decades combined. In one unique landscape setting, the Chimney Tops 2 Fire, a synoptic wind event drove extreme fire behavior and burned large, high-severity patches resulting in devastating effects in the wildland urban interface. However, immediate post-fire burn severity mosaics for other fires were composed primarily of low- (73 %) and moderate-severity (21 %) fire effects. High-severity fire comprised only 6 % of the area burned, and occurred mostly on steep upper slopes and ridges on south-facing aspects, reflecting the importance of bottom-up topographic drivers in this region. Although the fires will likely enhance biodiversity by restoring fire-dependent species and creating early seral habitat, invasions of non-native plant species, delayed mortality of mature pines and oaks, and rapid re-sprouting of pyrophyllic shrubs pose significant management challenges. Although similar large fire outbreaks may become more common under future climatic conditions, they are unlikely to reverse the effects of mesophication and significantly alter forest dynamics at broad spatial scales. Furthermore, the 2016 fires exposed the vulnerability of the region to wildfire during acute fall drought and demonstrate the potential ecological effects of future wildfires in mixed pine-hardwood landscapes of the southern Appalachians.

54 ENVIRONMENTAL SCIENCES↗

Ir(hkl) Surface Electrochemistry in a Nonadsorbing Acidic Medium

The fundamental properties of electrochemical materials depend on the multiple and often complex interactions between electrode surface sites and electrolyte species at the electrochemical interface. Despite Iridium use in electrolyzer systems, much of its surface electrochemistry remains underexplored. This study investigates the surface electrochemistry of Ir(111), Ir(100), and Ir(110) surfaces in acidic media. Using cyclic voltammetry and CO charge displacement experiments, we establish the charge states and adsorbate coverages as a function of the electrode potential, revealing the presence of hydrogen and hydroxyl co-adsorption at low potentials on (111), and almost no coverage of H ad on (110) facet. In situ Shell Isolated Nanoparticle Enhanced Raman Spectroscopy experiments provide direct evidence of the formation of key adsorbate species, such as hydrogen, hydroxyl, and oxygen, but most importantly, their interactions with interfacial water, confirmed by Density Functional Theory calculations. Our findings highlight the role of co-adsorption and interspecies interactions, with microkinetic adsorption voltammetry simulations corroborating the influence of lateral interactions on adsorption dynamics, particularly for Ir(100) where the OHad formation occurs as a sharp adsorption/desorption current. Our results underscores the importance of interfacial water and hydrogen bonding networks in shaping the electrochemical behavior on Ir surfaces, refining our baseline understanding of the Ir surface electrochemistry necessary for the development of advanced Ir-based electrochemical materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling and Analysis of a Novel Offshore Binary Species Free-Floating Longline Macroalgal Farming System

The investigation of innovative macroalgal cultivation is important and needed to optimize farming operations, increase biomass production, reduce the impact on the ecosystem, and lower system and operational costs. However, most macroalgal farming systems (MFSs) are stationary, which need to occupy a substantial coastal area, require extensive investment in farm infrastructure, and cost high fertilizer and anchoring expenses. This study aims to model, analyze, and support a novel binary species free-floating longline macroalgal cultivation concept. The expected outcomes could provide a basis for the design and application of the novel MFS to improve biomass production, decrease costs, and reduce the impact on the local ecosystem. In this paper, Saccharina latissima and Nereocystis luetkeana were modeled and validated, and coupled with longline to simulate the binary species MFS free float in various growth periods and associated locations along the US west coast. Further, the numerical predictions indicated the possibility of failure on the longline and breakage at the kelp holdfasts is low. However, the large forces due to an instantaneous change in dynamic loads caused by loss of hydrostatic buoyancy when the longline stretches out of the water would damage the kelps. Buoy-longline contact interactions could damage the buoy, resulting in the loss of the system by sinking. Furthermore, the kelp-longline and kelp-kelp entanglements could potentially cause kelp damage.

59 BASIC BIOLOGICAL SCIENCES↗

Monitoring spacecraft atmosphere contaminants by laser absorption spectroscopy

Laser-based spectrophotometric methods which have been proposed for the detection of trace concentrations of gaseous contaminants include Raman backscattering (LIDAR) and passive radiometry (LOPAIR). Remote sensing techniques using laser spectrometry are presented and in particular a simple long-path laser absorption method (LOLA), which is capable of resolving complex mixtures of closely related trace contaminants at ppm levels is discussed. A number of species were selected for study which are representative of those most likely to accumulate in closed environments, such as submarines or long-duration manned space flights. Computer programs were developed which will permit a real-time analysis of the monitored atmosphere. Estimates of the dynamic range of this monitoring technique for various system configurations, and comparison with other methods of analysis, are given.

Steinfeld, J. I.↗

Ion-neutral coupling in the high-latitude F region Evaluation of ion heating terms from Dynamics Explorer 2

Ion and neutral motions in the high latitude F layer were studied simultaneously during six passes of the Dynamics Explorer 2 spacecraft. The passes were made over the south polar cap in October 1981. An ion energy balance equation was defined to express the exchange of energy between the F layer and other atmospheric constituents. A momentum equation expressed the momentum exchange between the species. An approximate form of the energy balance equation was also formulated. The time constant for ion-neutral collisional momentum transfer significantly affected Joule heating in the F layer. Regions of large velocity disparities and ion temperature enhancements were detected as hot spots. The results indicate that a feedback mechanism may arise in terms of neutral compositional changes and enhanced ionospheric recombination. The approximate equation furnished values for ion heating rates which matched the data.

Killeen, T. L.↗

Convection and chemistry effects in CVD: A 3-D analysis for silicon deposition

The computational fluid dynamics code FLUENT has been adopted to simulate the entire rectangular-channel-like (3-D) geometry of an experimental CVD reactor designed for Si deposition. The code incorporated the effects of both homogeneous (gas phase) and heterogeneous (surface) chemistry with finite reaction rates of important species existing in silane dissociation. The experiments were designed to elucidate the effects of gravitationally-induced buoyancy-driven convection flows on the quality of the grown Si films. This goal is accomplished by contrasting the results obtained from a carrier gas mixture of H2/Ar with the ones obtained from the same molar mixture ratio of H2/He, without any accompanying change in the chemistry. Computationally, these cases are simulated in the terrestrial gravitational field and in the absence of gravity. The numerical results compare favorably with experiments. Powerful computational tools provide invaluable insights into the complex physicochemical phenomena taking place in CVD reactors. Such information is essential for the improved design and optimization of future CVD reactors.

Gokoglu, S. A.↗

The Galileo Energetic Particles Detector

Amongst its complement of particles and fields instruments, the Galileo spacecraft carries an Energetic Particles Detector (EPD) designed to measure the characteristics of particle populations important in determining the size, shape, and dynamics of the Jovian magnetosphere. To do this the EPD provides 4pi angular coverage and spectral measurements for Z greater than or equal to 1 ions from 20 keV to 55 MeV, for electrons from 15 keV to greater than 11 MeV, and for the elemental species helium through iron from approximately 10 keV/nucl to 15 MeV/nucl. Two bidirectional telescopes, mounted on a stepping platform, employ magnetic deflection, energy loss versus energy, and time-of-flight techniques to provide 64 rate channels and pulse height analysis of priority selected events. The EPD data system provides a large number of possible operational modes from which a small number will be selected to optimize data collection during the many encounter and cruise phases of the mission. The EPD employs a number of safeing algorithms that are to be used in the event that its self-checking procedures indicate a problem. The instrument and its operation are described.

Williams, D. J.↗