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At least 127 records · Page 7

Numerical modeling of chemical vapor deposition (CVD) in a horizontal reactor

In the present numerical prediction of the deposition rate of silicon from silane in a CVD process, the conservation equations for mass, momentum, energy, and chemical species are solved on a staggered grid using the SIMPLE algorithm, while the rate of chemical reactions in the gas phase and on the susceptor surface is obtained from an Arrhenius rate equation. Predicted deposition rates as a function of position along the susceptor with and without the gas phase chemical reaction are compared with the available experimental and numerical data; agreement is excellent except at the leading edge of the susceptor, where the deposition rate is overpredicted.

Sheikholeslami, M. Z.↗

Inferences on the Emplacement Dynamics of Martian Impact Crater Ejecta: Constraints from Mola Topography

Lobate ejecta deposits surround many of the younger impact craters on Mars. Viking Orbiter images indicate the distal parts of the ejecta blankets of these lobate craters are characterized by ramparts. In the absence of detailed topographic data for characterizing the topology of these apparently fluidized ejecta deposits, physical models have relied upon their morphologic characteristics. The most widely accepted model for the formation of such rampart ejecta deposits on Mars invokes fluidization of the ejecta to produce one or more viscous flow lobes. The availability of high-precision topographic data from the Mars Orbiter Laser Altimeter [4,51 facilitates a more quantitative examination of the physical processes involved in the formation of rampart ejecta deposits on Mars. Here we investigate the emplacement constraints that can be developed from the dimensions, topography, and morphology of martian rampart craters. The primary assumptions we have adopted are: (1) the ejecta blanket is emplaced as a continuum flow over the martian surface, rather than an airfall deposit, and (2) that the observable dimensions of the deposits are indicative of flow dimensions during emplacement.

Garvin, J. B.↗

GUI to Facilitate Research on Biological Damage from Radiation

A graphical-user-interface (GUI) computer program has been developed to facilitate research on the damage caused by highly energetic particles and photons impinging on living organisms. The program brings together, into one computational workspace, computer codes that have been developed over the years, plus codes that will be developed during the foreseeable future, to address diverse aspects of radiation damage. These include codes that implement radiation-track models, codes for biophysical models of breakage of deoxyribonucleic acid (DNA) by radiation, pattern-recognition programs for extracting quantitative information from biological assays, and image-processing programs that aid visualization of DNA breaks. The radiation-track models are based on transport models of interactions of radiation with matter and solution of the Boltzmann transport equation by use of both theoretical and numerical models. The biophysical models of breakage of DNA by radiation include biopolymer coarse-grained and atomistic models of DNA, stochastic- process models of deposition of energy, and Markov-based probabilistic models of placement of double-strand breaks in DNA. The program is designed for use in the NT, 95, 98, 2000, ME, and XP variants of the Windows operating system.

Cucinotta, Frances A.↗

Comparison of Possible Sources of Lunar Polar Hydrogen Deposits

We present a model to study the deposition of H at the lunar poles. It assigns the fraction of H migrating to the polar cold traps given an input and predicts the form of H at the poles. We verify the model and show examples of simulations.

Crider, D. H.↗

Effects of Spatial Resolution on the Simulated Dust Aerosol Lifecycle: Implications for Dust Event Magnitude and Timing in the NASA GEOS-5 AGCM

The NASA GEOS-5 atmospheric transport model simulates global aerosol distributions with an online aerosol module. GEOS-5 may be run at various horizontal spatial resolutions depending on the research application. For example, long integration climate simulations are typically run at 2 deg or 1 deg grid spacing, whereas aerosol reanalysis and forecasting applications may be performed at O.5 deg or 0.25 deg resolutions. In this study, we assess the implications of varying spatial resolution on the simulated aerosol fields, with a particular focus on dust. Dust emissions in GEOS-5 are calculated with one of two parameterizations, one based on the Goddard Chemistry, Aerosol, Radiation, and Transport (GO CART) model and another based on the Dust Entrainment and Deposition (DEAD) model. Emission fluxes are parameterized in terms of the surface wind speed, either the 10-m (GO CART) or friction (DEAD) wind speed. We consider how surface wind speeds and thus the dust emission rates are a function of the model spatial resolution. We find that spatial resolution has a significant effect on the magnitude of dust emissions, as higher resolution versions of the model have typically higher surface wind speeds. Utilizing space-borne observations from MISR, MODIS, and CALIOP, we find that simulated Aerosol Optical Thickness (AOT) distributions respond differently to spatial resolution over the African and Asian source regions, highlighting the need to regional dust emission tuning. When compared to ground-based observations from AERONET, we found improved timing of dust events with as spatial resolution was increased. In an attempt to improve the representation of the dust aerosol lifecycle at coarse resolutions, we found that incorporating the effects of sub-grid wind variability in a course resolution simulation led to improved agreement with observed AOT magnitudes, but did not impact the timing of simulated dust events.

Nowottnick, E.↗

Novel Optical Diagnostic Techniques for Studying Particle Deposition Upon Large Cylinders in a Sheared Suspension

On a twelve-month voyage to Mars, one astronaut will require at least two tons of potable water and two tons of pure oxygen. Efficient, reliable fluid reclamation is therefore necessary for manned space exploration. Space habitats require a compact, flexible, and robust apparatus capable of solid-fluid mechanical separation over a wide range of fluid and particle densities and particle sizes. In space, centrifugal filtration, where particles suspended in fluid are captured by rotating fixed-fiber mat filters, is a logical candidate for mechanical separation. Non-colloidal particles are deposited on the fibers due to inertial impaction or direct interception. Since rotation rates are easily adjustable, inertial effects are the most practical way to control separation rates for a wide variety of multiphase mixtures in variable gravity environments. Understanding how fluid inertia and differential fluid-particle inertia, characterized by the Reynolds and Stokes numbers, respectively, affect deposition is critical in optimizing filtration in a microgravity environment. This work will develop non-intrusive optical diagnostic techniques for directly visualizing where and when non-colloidal particles deposit upon, or contact, solid surfaces: 'particle proximity sensors'. To model particle deposition upon a single filter fiber, these sensors will be used in ground-based experiments to study particle dynamics as in the vicinity of a large (compared with the particles) cylinder in a simply sheared (i.e., linearly-varying, zero-mean velocity profile) neutrally-buoyant, refractive-index matched solid-liquid suspension.

Yoda, M.↗

Clast sizes in terrestrial and Martian ignimbrite lag deposits

A theoretical model for predicting the sizes of clasts which may be expected in proximal ignimbrite deposits on the earth and Mars is developed. The model can provide an explanation of the eruption mechanism. It takes into account the inside and outside conditions of a vent from which a large-scale pyroclastic flow takes place. The drag forces exerted by the dusty gas on relatively large clasts are also taken into account. The sizes of the largest clasts that contribute to a proximal lag breccia deposit can thus be deduced. The analysis has shown that the pressure at the surface vent level in an ignimbrite-forming eruption is independent of the planetary atmospheric pressure; the gravity and vent size then become the major factors controlling the size of the largest clast which can be erupted.

Wilson, Lionel↗

Evaluation of SO2, SO4(2−) and an Updated SO2 Dry Deposition Parameterization in the United Kingdom Earth System Model

In this study we evaluate simulated surface SO2 and sulphate (SO4(2-)) concentrations from the United Kingdom Earth System Model (UKESM1) against observations from ground based measurement networks in the USA and Europe for the period 1987 to 2014. We find that UKESM1 captures the historical trend for decreasing concentrations of atmospheric SO2 and SO4(2-) in both Europe and the USA over the period 1987 to 2014. However, in the polluted regions of the eastern USA and Europe, UKESM1 over-predicts surface SO2 concentrations by a factor of 3, while under-predicting surface SO4(2-) concentrations by 25-35%. In the cleaner western USA, the model over-predicts both surface SO2 and SO4(2-) concentrations by a factor of 12 and 1.5 respectively. We find that UKESM1’s bias in surface SO2 and SO4(2-) concentrations is variable according to region and season. We also evaluate UKESM1 against total column SO2 from the Ozone Monitoring Instrument (OMI) using an updated data product. This comparison provides information about the model’s global performance, finding that UKESM1 over predicts total column SO2 over much of the globe, including the large source regions of India, China, the USA and Europe as well as over outflow regions. Finally, we assess the impact of a more realistic treatment of the model’s SO2 dry deposition parameterization. This change increases SO2 dry deposition to the land and ocean surfaces, thus reducing the atmospheric loading of SO2 and SO(sup 2-)(sub 4). In comparison with the ground-based and satellite observations, we find that the modified parameterization reduces the models over prediction of surface SO2 concentrations and total column SO2. Relative to the ground-based observations the simulated surface SO4(2-) concentrations are also reduced, while the simulated SO2 dry deposition fluxes increase.

SO2↗

Computer modeling of a hot filament diamond deposition reactor

A commercial fluid mechanics program, FLUENT, has been applied to the modeling of a hot-filament diamond deposition reactor. Streamlines and contours of constant temperature and species concentrations are obtained for practical reactor geometries and conditions. The modeling is presently restricted to two-dimensional simulations and to a chemical mechanism of ten independent homogeneous and surface reactions. Comparisons are made between predicted power consumption, substrate temperature, and concentrations of atomic hydrogen and methyl-radical with values taken from the literature. The results to date indicate that the modeling can aid in the rational design and analysis of practical reactor configurations.

Kuczmarski, Maria A.↗

Far-Reaching Impacts of African Dust- A Calipso Perspective

African dust can transport across the tropical Atlantic and reach the Amazon basin, exerting far-reaching impacts on climate in downwind regions. The transported dust influences the surface-atmosphere interactions and cloud and precipitation processes through perturbing the surface radiative budget and atmospheric radiative heating and acting as cloud condensation nuclei and ice nuclei. Dust also influences biogeochemical cycle and climate through providing nutrients vital to the productivity of ocean biomass and Amazon forests. Assessing these climate impacts relies on an accurate quantification of dust transport and deposition. Currently model simulations show extremely large diversity, which calls for a need of observational constraints. Kaufman et al. (2005) estimated from MODIS aerosol measurements that about 144 Tg of dust is deposited into the tropical Atlantic and 50 Tg of dust into the Amazon in 2001. This estimated dust import to Amazon is a factor of 3-4 higher than other observations and models. However, several studies have argued that the oversimplified characterization of dust vertical profile in the study would have introduced large uncertainty and very likely a high bias. In this study we quantify the trans-Atlantic dust transport and deposition by using 7 years (2007-2013) observations from CALIPSO lidar. CALIPSO acquires high-resolution aerosol extinction and depolarization profiles in both cloud-free and above-cloud conditions. The unique CALIPSO capability of profiling aerosols above clouds offers an unprecedented opportunity of examining uncertainties associated with the use of MODIS clear-sky data. Dust is separated from other types of aerosols using the depolarization measurements. We estimated that on the basis of 7-year average, 118142 Tg of dust is deposited into the tropical Atlantic and 3860 Tg of dust into the Amazon basin. Substantial interannual variations are observed during the period, with the maximum to minimum ratio of about 1.6 and 2.5 for the deposition to the tropical Atlantic and Amazon, respectively. The MODIS-based estimates appear to fall within the range of CALIPSO-based estimates; and the difference between MODIS and CALIPSO estimates can be largely attributed to the interannual variability, which is corroborated by long-term surface dust concentration observations in the tropical Atlantic. Considering that CALIPSO generally tends to underestimate the aerosol loading, our estimate is likely to represent a low bound for the dust transport and deposition estimate. The finding suggests that models have substantial biases and considerable effort is needed to improve model simulations of dust cycle.

dust↗

Solar Ion Processing of Itokawa Grains: Reconciling Model Predictions with Sample Observations

Analytical TEM observations of Itokawa grains reported to date show complex solar wind ion processing effects in the outer 30-100 nm of pyroxene and olivine grains. The effects include loss of long-range structural order, formation of isolated interval cavities or "bubbles", and other nanoscale compositional/microstructural variations. None of the effects so far described have, however, included complete ion-induced amorphization. To link the array of observed relationships to grain surface exposure times, we have adapted our previous numerical model for progressive solar ion processing effects in lunar regolith grains to the Itokawa samples. The model uses SRIM ion collision damage and implantation calculations within a framework of a constant-deposited-energy model for amorphization. Inputs include experimentally-measured amorphization fluences, a Pi steradian variable ion incidence geometry required for a rotating asteroid, and a numerical flux-versus-velocity solar wind spectrum.

Christoffersen, Roy↗

Modeling of InP metalorganic chemical vapor deposition

The growth of InP by metalorganic chemical vapor deposition (MOCVD) in a horizontal reactor is being modeled with a commercially available computational fluid dynamics modeling code. The mathematical treatment of the MOCVD process has four primary areas of concern: 1) transport phenomena, 2) chemistry, 3) boundary conditions, and 4) numerical solution methods. The transport processes involved in CVD are described by conservation of total mass, momentum, energy, and atomic species. Momentum conservation is described by a generalized form of the Navier-Stokes equation for a Newtonian fluid and laminar flow. The effect of Soret diffusion on the transport of particular chemical species and on the predicted deposition rate is examined. Both gas-phase and surface chemical reactions are employed in the model. Boundary conditions are specified at the inlet and walls of the reactor for temperature, fluid flow and chemical species. The coupled set of equations described above is solved by a finite difference method over a nonuniform rectilinear grid in both two and three dimensions. The results of the 2-D computational model is presented for gravity levels of zero- and one-g. The predicted growth rates at one-g are compared to measured growth rates on fused silica substrates.

Black, Linda R.↗

Design and Impacts of Land-Biogenic-Atmosphere Coupling in the NASA-Unified WRF (NU-WRF) Modeling System

Land-Atmosphere coupling is typically designed and implemented independently for physical (e.g. water and energy) and chemical (e.g. biogenic emissions and surface depositions)-based models and applications. Differences in scale, data requirements, and physics thus limit the ability of Earth System models to be fully coupled in a consistent manner. In order for the physical-chemical-biological coupling to be complete, treatment of the land in terms of surface classification, condition, fluxes, and emissions must be considered simultaneously and coherently across all components. In this study, we investigate a coupling strategy for the NASA-Unified Weather Research and Forecasting (NU-WRF) model that incorporates the traditionally disparate fluxes of water and energy through NASA's LIS (Land Information System) and biogenic emissions through BEIS (Biogenic Emissions Inventory System) and MEGAN (Model of Emissions of Gases and Aerosols from Nature) into the atmosphere. In doing so, inconsistencies across model inputs and parameter data are resolved such that the emissions from a particular plant species are consistent with the heat and moisture fluxes calculated for that land cover type. In turn, the response of the atmospheric turbulence and mixing in the planetary boundary layer (PBL) acts on the identical surface type, fluxes, and emissions for each. In addition, the coupling of dust emission within the NU-WRF system is performed in order to ensure consistency and to maximize the benefit of high-resolution land representation in LIS. The impacts of those self-consistent components on' the simulation of atmospheric aerosols are then evaluated through the WRF-Chem-GOCART (Goddard Chemistry Aerosol Radiation and Transport) model. Overall, this ambitious project highlights the current difficulties and future potential of fully coupled. components. in Earth System models, and underscores the importance of the iLEAPS community in supporting improved knowledge of processes and innovative approaches for models and observations.

Tan, Qian↗

Multi-model Comparison of the Volcanic Sulfate Deposition from the 1815 Eruption of Mt. Tambora

The eruption of Mt. Tambora in 1815 was the largest volcanic eruption of the past 500 years. The eruption had significant climatic impacts, leading to the 1816 "year without a summer", and remains a valuable event from which to understand the climatic effects of large stratospheric volcanic sulfur dioxide injections. The eruption also resulted in one of the strongest and most easily identifiable volcanic sulfate signals in polar ice cores, which are widely used to reconstruct the timing and atmospheric sulfate loading of past eruptions. As part of the Model Intercomparison Project on the climatic response to Volcanic forcing (VolMIP), five state-of-the-art global aerosol models simulated this eruption. We analyze both simulated background (no Tambora) and volcanic (with Tambora) sulfate deposition to polar regions and compare to ice core records. The models simulate overall similar patterns of background sulfate deposition, although there are differences in regional details and magnitude. However, the volcanic sulfate deposition varies considerably between the models with differences in timing, spatial pattern and magnitude. Mean simulated deposited sulfate on Antarctica ranges from 19 to 264 kgkm-2 and on Greenland from 31 to 194 kgkm-2, as compared to the mean ice-core derived estimates of roughly 50 kgkm-2 for both Greenland and Antarctica. The ratio of the hemispheric atmospheric sulfate aerosol burden after the eruption to the average ice sheet deposited sulfate varies between models by up to a factor of 15. Sources of this inter-model variability include differences in both the formation and the transport of sulfate aerosol. Our results suggest that deriving relationships between sulfate deposited on ice sheets and atmospheric sulfate burdens from model simulations may be associated with greater uncertainties than previously thought.

Marshall, Lauren↗

Kinetic Model Development of the Carbon Vapor Deposition Reactor to Predict Performance Versus Design

To enable complete closure of a Sabatier-based atmosphere revitalization system where oxygen recovery is predicated by carbon dioxide reduction to methane and water, there must be a means of recovering the hydrogen from the byproduct methane. Honeywell’s carbon vapor deposition (CVD) reactor is a potential technology that provides a thermochemical means by which methane decomposes at high temperatures (> 1,000 °C) into hydrogen, solid carbon, and a small percentage of hydrocarbons. This advanced methane pyrolysis reactor utilizes a carbon fiber substrate to capture and immobilize the solid pyrolytic carbon rather than allowing continuation toward undesirable soot. The CVD reactor is a highly dynamic system whose characteristic geometry changes while operating. The reactor model was developed to provide predictive performance assessment capabilities at different operating conditions, geometries, and configurations to aid in technology development. Modeling of the CVD reactor considered the multitude of simultaneous and interdependent physicochemical processes that are entailed, including: (1) the homogeneous gas-phase pyrolysis reactions, (2) the heterogeneous deposition reactions, and (3) the transport of gaseous species in the reactor domains. A 1-D CVD reactor model was developed based on a general packed-bed, axial-dispersion plug flow reactor model with a solid substrate balance to account for carbon deposition. The model includes 59 species and 243 reactions constituting the methane pyrolysis reaction network, carbon deposition, and interconversions of oxygenate species. The reactor model was compared to brassboard test data, where it was shown to be able to capture the pertinent physicochemical phenomena as evidenced by its agreement with short-duration run data (i.e., looking at different temperature and flow rate conditions), as well as trend agreement with the brassboard reactor’s long-duration test data. Recommendations are provided on further model development steps as well as its use cases.

Air Revitalization↗

High-Density Plasma Reactors: Simulations for Design

The development of improved and more efficient plasma reactors is a costly process for the semiconductor industry. Until five years ago, the Industry made most of its advancements through a trial and error approach. More recently, the role of computational modeling in the design process has increased. Both conventional computational fluid dynamics (CFD) techniques like Navier-Stokes solvers as well as particle simulation methods are used to model plasma reactor flowfields. However, since high-density plasma reactors generally operate at low gas pressures on the order of 1 to 10 mTorr, a particle simulation may be necessary because of the failure of CFD techniques to model rarefaction effects. The direct simulation Monte Carlo method is the most widely accepted and employed particle simulation tool and has previously been used to investigate plasma reactor flowfields. A plasma DSMC code is currently under development at NASA Ames Research Center with its foundation as the object-oriented parallel Cornell DSMC code, MONACO. The present investigation is a follow up of a neutral flow investigation of the effects of process parameters as well as reactor design on etch rate and etch rate uniformity. The previous work concentrated on silicon etch of a chlorine flow in a configuration typical of electron cyclotron resonance (ECR) or helical resonator type reactors. The effects of the plasma on the dissociation chemistry were modeled by making assumptions about the electron temperature and number density. The electrons or ions themselves were not simulated.The present work extends these results by simulating the charged species.The electromagnetic fields are calculated such that power deposition is modeled self-consistently. Electron impact reactions are modeled along with mechanisms for charge exchange. An bipolar diffusion assumption is made whereby electrons remain tied to the ions. However, the velocities of tile electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. The interaction between the neutral flow and plasma is examined, and results for etch rate uniformity from the previous research and the present plasma simulations are compared.

Hash, David B.↗

Solar Energy Deposition Rates in the Mesosphere Derived from Airglow Measurements: Implications for the Ozone Model Deficit Problem

We derive rates of energy deposition in the mesosphere due to the absorption of solar ultraviolet radiation by ozone. The rates are derived directly from measurements of the 1.27-microns oxygen dayglow emission, independent of knowledge of the ozone abundance, the ozone absorption cross sections, and the ultraviolet solar irradiance in the ozone Hartley band. Fifty-six months of airglow data taken between 1982 and 1986 by the near-infrared spectrometer on the Solar-Mesosphere Explorer satellite are analyzed. The energy deposition rates exhibit altitude-dependent annual and semi-annual variations. We also find a positive correlation between temperatures and energy deposition rates near 90 km at low latitudes. This correlation is largely due to the semiannual oscillation in temperature and ozone and is consistent with model calculations. There is also a suggestion of possible tidal enhancement of this correlation based on recent theoretical and observational analyses. The airglow-derived rates of energy deposition are then compared with those computed by multidimensional numerical models. The observed and modeled deposition rates typically agree to within 20%. This agreement in energy deposition rates implies the same agreement exists between measured and modeled ozone volume mixing ratios in the mesosphere. Only in the upper mesosphere at midlatitudes during winter do we derive energy deposition rates (and hence ozone mixing ratios) consistently and significantly larger than the model calculations. This result is contrary to previous studies that have shown a large model deficit in the ozone abundance throughout the mesosphere. The climatology of solar energy deposition and heating presented in this paper is available to the community at the Middle Atmosphere Energy Budget Project web site at http://heat-budget.gats-inc.com.

Mlynczak, Martin G.↗