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DOE OSTI2021

Three-Dimensional Modeling of the Explicit Chemistry of Organic Aerosols: Formation, Removal, and Comparison with Observations

The major goals of the project were to further our understanding of the formation of secondary organic aerosols (SOA) from major anthropogenic and biogenic precursors, and to evaluate the GECKO-A chemistry model in the context of three DOE-led field campaigns (GoAmazon, BBOP, and HI-SCALE) with the long-term objective of improving the treatment of organic gases and particles in three-dimensional regional and global models. The three field campaigns were selected to evaluate and improve specific aspects of GECKO-A: (i) GoAmazon to help quantify interactions of biogenic and anthropogenic emissions; (ii) BBOP to predict the UV-visible absorption properties of biomass burning aerosols (brown carbon) from explicit molecular properties; and (iii) HI-SCALE to evaluate new model components that include aqueous (cloud) processing of organic gases and aerosols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Three-dimensional modelling of trace species in the Arctic lower stratosphere

A three-dimensional radiative-dynamical-chemical model has been developed and used to study some aspects of modeling the polar lower stratosphere. The model includes a comprehensive gas-phase chemistry scheme as well as a treatment of heterogeneous reactions occurring on the surface of polar stratospheric clouds. Tracer transport is treated by an accurate, nondispersive scheme with little diffusion suited to the representation of strong gradients. Results from a model simulation of early February 1990 are presented and used to illustrate the importance of the model transport scheme. The model simulation is also used to examine the potential for Arctic ozone destruction and the relative contributions of the chemical cycles responsible.

Chipperfield, Martyn↗

DOE OSTI2012

Application of a three-dimensional model for a study of the energy transfer of a high-pressure mercury horizontal lamp

This paper is devoted to study the dynamics of a discharge lamp with high intensity in a horizontal position. As an example of application, we chose the high-pressure mercury lamp. For this, we realized a three-dimensional model, a stable and powered DC. After the validation of this model, we used it to reproduce the influence of some parameters that have appeared on major transport phenomena of mass and energy in studying the lamp operating in a horizontal position. Indeed, the mass of mercury and the electric current are modified and the effect of convective transport is studied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1994

Three-dimensional model interpretation of NO(x) measurements from the lower stratosphere

A three-dimensional off-line chemistry transport model, driven by European Center for Medium-Range Forecasts winds and temperatures, is used to interpret measurements of NO and NO2 taken from the DC-8 during the second Airborne Arctic Stratospheric Expedition. The model was run in three configurations: gas phase chemistry alone, inclusion of the N2O5 aerosol reaction, and inclusion of both N2O5 and ClONO2 aerosol reactions. The run including the N2O5 aerosol reaction alone usually agreed best with measured NO(x)/NO(y) ratios in midlatitude air masses. The NO(x)/NO(y) ratios of the run with both aerosol reactions were always too low, while the gas phase ratios were usually too high, especially during March. All three simulations generated extremely low NO2/NO(y) ratios in air parcels that had spent several days or more in the polar night. Measured NO2/NO(y) ratios in these types of air masses were sometimes equally low but could also be considerably higher. Observed NO/NO2 ratios differed strongly from known theory.

Folkins, Ian↗

DOE OSTI2012

Three-dimensional model and simulation of vacuum arcs under axial magnetic fields

In this paper, a three-dimensional (3d) magneto-hydro-dynamic (MHD) model of axial magnetic field vacuum arcs (AMFVAs) is established. Based on this model, AMFVAs are simulated and analyzed. Three-dimensional spatial distributions of many important plasma parameters and electric characteristics in AMFVAs can be obtained, such as ion number density, ion temperature, electron temperature, plasma pressure, current densities along different directions (x, y, and z), ion velocities along different directions, electric fields strength along different directions, and so on. Simulation results show that there exist significant spiral-shaped rotational phenomena in the AMFVAs, this kind of rotational phenomenon also can be verified by the many related experiments (AMFVAs photographs, especially for stronger AMF strength). For current simulation results of AMFVAs, the maximal rotational velocity at anode side is about 1100 m/s. Radial electric field is increased from arc center to arc edge; axial electric field is decreased from cathode side to anode side. Radial electric field at arc edge can be larger than axial electric field. Azimuthal electric field in most regions is much smaller than radial and axial electric field, but it can reach about 1.19 kV/m. Radial magnetic field is the smallest one compared with other components, it reaches to maximum value at the position near to anode, it can influence arc characteristics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Three-dimensional modeling of a plasma in a strong azimuthal magnetic field

Three-dimensional magnetohydrodynamic (MHD) simulations are able to model the generation of disc-shaped plasma, driven by laser ablation from a current carrying rod in a pulsed-power machine producing azimuthal magnetic fields of 2–3 MG. The plasma at such extreme conditions is unique in that the parameter space for the plasma β and Hall parameter χ transition from below unity to greater than unity at different stages of the plasma generation. In simulations, the formation of the plasma disc in the azimuthal direction, is driven by heat flux from the laser spot and depends on the set of transport coefficients used in simulations. The most recent set of transport coefficients leads to the formation of plasma ejecta at the back end of the rod, that qualitatively matches experiments. Specifically, the cross-gradient Nernst effect, which twists magnetic field, is shown to have a large effect on the shape of the back end ejecta. In the direction along the axis of the rod there is propagation of perturbations from the disc as observed in experiments. In simulations the period of temperature perturbations is in good agreement with experimental results. Furthermore, an instability due to coupling of heat flux and the magnetic field advection provides a possible explanation for perturbation growth along the axis of the rod, and the instability growth rate is consistent with experimental results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2000

Selected contribution: a three-dimensional model for assessment of in vitro toxicity in balaena mysticetus renal tissue

This study established two- and three-dimensional renal proximal tubular cell cultures of the endangered species bowhead whale (Balaena mysticetus), developed SV40-transfected cultures, and cloned the 61-amino acid open reading frame for the metallothionein protein, the primary binding site for heavy metal contamination in mammals. Microgravity research, modulations in mechanical culture conditions (modeled microgravity), and shear stress have spawned innovative approaches to understanding the dynamics of cellular interactions, gene expression, and differentiation in several cellular systems. These investigations have led to the creation of ex vivo tissue models capable of serving as physiological research analogs for three-dimensional cellular interactions. These models are enabling studies in immune function, tissue modeling for basic research, and neoplasia. Three-dimensional cellular models emulate aspects of in vivo cellular architecture and physiology and may facilitate environmental toxicological studies aimed at elucidating biological functions and responses at the cellular level. Marine mammals occupy a significant ecological niche (72% of the Earth's surface is water) in terms of the potential for information on bioaccumulation and transport of terrestrial and marine environmental toxins in high-order vertebrates. Few ex vivo models of marine mammal physiology exist in vitro to accomplish the aforementioned studies. Techniques developed in this investigation, based on previous tissue modeling successes, may serve to facilitate similar research in other marine mammals.

Whales/genetics/physiology↗

NASA NTRS2000

Cellular Responses to Mechanical Stress Selected Contribution: A Three-Dimensional Model for Assessment of in Vitro Toxicity in Balaena Mysticetus Renal Tissue

Goodwin, T. J.↗

NASA NTRS1972

Corrections to vibrational transition probabilities calculated from a three-dimensional model.

Corrections to the collision-induced vibration transition probability calculated by Hansen and Pearson from a three-dimensional semiclassical model are examined. These corrections come from the retention of higher order terms in the expansion of the interaction potential and the use of the actual value of the deflection angle in the calculation of the transition probability. It is found that the contribution to the transition cross section from previously neglected potential terms can be significant for short range potentials and for the large relative collision velocities encountered at high temperatures. The correction to the transition cross section obtained from the use of actual deflection angles will not be appreciable unless the change in the rotational quantum number is large.

Stallcop, J. R.↗

NASA NTRS1986

A global three-dimensional model of the circulation and chemistry of CFCl3, CF2Cl2, CH3CCl3, CCl4, and N2O

The use of a three-dimensional spectral model to study the tropospheric and stratospheric circulation, chemistry, and photochemistry of the CFCl3, CF2Cl2, CH3CCl3, CCl4, and N2O atmospheric species is examined. The components of the model are described. Lifetime, regional, and global trends and budgets for the species are evaluated. Calculated horizontal, vertical, and temporal distributions of the atmospheric species are compared with observations; good correlation is detected. The differences observed between calculated and observed surface distributions of CH3CCl3 and the vertical distribution of CCl4 are analyzed. The calculated global atmospheric lifetimes of CFCl3, CF2Cl2, CCl4, and N2O are 73, 210, 48, and 182 years, respectively.

Golombek, A.↗

NASA NTRS1993

A multiple-mode three-dimensional model of VLF propagation in the earth-ionosphere waveguide in the presence of localized D region disturbances

Transient localized D region disturbances, such as those associated with lightning discharges, affect the characteristics of VLF waves propagating in the Earth-ionosphere waveguide. In particular, both phase and amplitude changes in the subionospheric signal can be observed at receiving sites as a result of the wave scattering that takes place in the disturbed region. In the present paper we present a multiple-mode three-dimensional model of VLF propagation in the Earth-ionosphere waveguide in the presence of localized D region disturbances. The model takes into account great circle (GC) propagation paths with realistic ground and ionospheric conductivity changes that result in mode conversion along the path. It is assumed that conductivity changes transverse to the GC paths are negligible except in the vicinity of the D region disturbance and that mode coupling is negligible within the disturbed region. This new model is applied to experimental observations and is found to be in general agreement. The diagnostics potential of the model for characterizing energetic particle precipitation events is discussed.

Poulsen, William L.↗

NASA NTRS1990

Generation of animation sequences of three dimensional models

The invention is directed toward a method and apparatus for generating an animated sequence through the movement of three-dimensional graphical models. A plurality of pre-defined graphical models are stored and manipulated in response to interactive commands or by means of a pre-defined command file. The models may be combined as part of a hierarchical structure to represent physical systems without need to create a separate model which represents the combined system. System motion is simulated through the introduction of translation, rotation and scaling parameters upon a model within the system. The motion is then transmitted down through the system hierarchy of models in accordance with hierarchical definitions and joint movement limitations. The present invention also calls for a method of editing hierarchical structure in response to interactive commands or a command file such that a model may be included, deleted, copied or moved within multiple system model hierarchies. The present invention also calls for the definition of multiple viewpoints or cameras which may exist as part of a system hierarchy or as an independent camera. The simulated movement of the models and systems is graphically displayed on a monitor and a frame is recorded by means of a video controller. Multiple movement and hierarchy manipulations are then recorded as a sequence of frames which may be played back as an animation sequence on a video cassette recorder.

Poi, Sharon↗

NASA NTRS1992

Three-dimensional modeling of diesel engine intake flow, combustion and emissions

A three-dimensional computer code (KIVA) is being modified to include state-of-the-art submodels for diesel engine flow and combustion: spray atomization, drop breakup/coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, soot and radiation, and the intake flow process. Improved and/or new submodels which were completed are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NOx, and spray/wall impingement with rebounding and sliding drops. Results to date show that adding the effects of unsteadiness and compressibility improves the accuracy of heat transfer predictions; spray drop rebound can occur from walls at low impingement velocities (e.g., in cold-starting); larger spray drops are formed at the nozzle due to the influence of vaporization on the atomization process; a laminar-and-turbulent characteristic time combustion model has the flexibility to match measured engine combustion data over a wide range of operating conditions; and finally, the characteristic time combustion model can also be extended to allow predictions of ignition. The accuracy of the predictions is being assessed by comparisons with available measurements. Additional supporting experiments are also described briefly. To date, comparisons with measured engine cylinder pressure and heat flux data were made for homogeneous charge, spark-ignited and compression-ignited engines. The model results are in good agreement with the experiments.

Reitz, R. D.↗

NASA NTRS1988

Global climate changes as forecast by Goddard Institute for Space Studies three-dimensional model

The global climate effects of time-dependent atmospheric trace gas and aerosol variations are simulated by NASA-Goddard's three-dimensional climate model II, which possesses 8 x 10-deg horizontal resolution, for the cases of a 100-year control run and three different atmospheric composition scenarios in which trace gas growth is respectively a continuation of current exponential trends, a reduced linear growth, and a rapid curtailment of emissions due to which net climate forcing no longer increases after the year 2000. The experiments begin in 1958, run to the present, and encompass measured or estimated changes in CO2, CH4, N2O, chlorofluorocarbons, and stratospheric aerosols. It is shown that the greenhouse warming effect may be clearly identifiable in the 1990s.

Hansen, J.↗

NASA NTRS1988

Adaptive wall research with two- and three-dimensional models in low speed and transonic tunnels

This paper summarises recent research at the University of Southampton into adaptive wall technology and outlines the direction of current efforts. The work is aimed at developing techniques for use in test sections where the top and bottom walls may be adjusted in single curvature. Wall streamlining eliminates, as far as experimentally possible, the top and bottom wall interference in low speed and transonic aerofoil testing. A streamlining technique has been developed for low speeds which allows the testing of swept wing panels in low interference environments. At higher speeds, a comparison of several two-dimensional transonic streamlining algorithms has been made and a technique for streamlining with a choked test section has also been developed. Three-dimensional work has mainly concentrated on tests of sidewall mounted half-wings and the development of the software packages required to assess interference and to adjust the flexible walls. It has been demonstrated that two-dimensional wall adaptation can significantly modify the level of wall interference around relatively large three-dimensional models. The residual interferences are small and are probably amenable to standard post-test correction methods. Tests on a calibrated wing-body model are planned in the near future to further validate the proposed streamlining technique.

Lewis, M. C.↗

NASA NTRS1993

Three-dimensional modeling of diesel engine intake flow, combustion and emissions-2

A three-dimensional computer code, KIVA, is being modified to include state-of-the-art submodels for diesel engine flow and combustion. Improved and/or new submodels which have already been implemented and previously reported are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NO(x), and spray/wall impingement with rebounding and sliding drops. Progress on the implementation of improved spray drop drag and drop breakup models, the formulation and testing of a multistep kinetics ignition model, and preliminary soot modeling results are described. In addition, the use of a block structured version of KIVA to model the intake flow process is described. A grid generation scheme was developed for modeling realistic (complex) engine geometries, and computations were made of intake flow in the ports and combustion chamber of a two-intake-value engine. The research also involves the use of the code to assess the effects of subprocesses on diesel engine performance. The accuracy of the predictions is being tested by comparisons with engine experiments. To date, comparisons were made with measured engine cylinder pressure, temperature and heat flux data, and the model results are in good agreement with the experiments. Work is in progress that will allow validation of in-cylinder flow and soot formation predictions. An engine test facility is described that is being used to provide the needed validation data. Test results were obtained showing the effect of injection rate and split injections on engine performance and emissions.

Reitz, R. D.↗

NASA NTRS1995

Results of Tests Performed on the Acoustic Quiet Flow Facility Three-Dimensional Model Tunnel

The test results briefly described in this report were obtained on the three-dimensional 1:48 scale tunnel modeled on the design proposed by Messrs. D.S.M.A. Corporation. More particularly, while the test chamber dimensions were indeed scaled down in the ration of 1:48, including the contraction and the collector as well, the duct system itself leading to and from the chamber was adapted to suit laboratory conditions and space limitations. Earlier tests with the two-dimensional model showed that blowing mode was preferred as against the suction mode, hence all tests were performed with blowing only. At the exit of the contraction the maximum airspeed attained with the 1 HP blower unit was about 200 ft/sec. This airspeed may be increased in future if desired. The test results show that pressure recovery in the diffuser was about 34 percent due to the large blockage at its entrance. Velocity traverses taken across the diffuser entrance explain the reason for this blockage. Recirculation, studied with both, hot-wire anemometry and flow-visualization techniques, was largely affected by the design of the test chamber itself and the amount of vent-air admitted to the chamber. Vent-air helped to decrease the level of turbulence.

Barna, P. S.↗

DOE OSTI2016

Three-dimensional modeling of outcrop-to-outcrop hydrothermal circulation on the eastern flank of the Juan de Fuca Ridge

We present three-dimensional simulations of coupled fluid and heat transport in the ocean crust, to explore patterns and controls on ridge-flank hydrothermal circulation on the eastern flank of the Juan de Fuca Ridge. Field studies have shown that there is large-scale fluid flow in the volcanic ocean crust in this region, including local convection and circulation between two basement outcrops separated by ~50 km. New simulations include an assessment of crustal permeability and aquifer thickness, outcrop permeability, the potential influence of multiple discharging outcrops, and a comparison between two-dimensional (profile) and three-dimensional representations of the natural system. Field observations that help to constrain new simulations include a modest range of flow rates between recharging and discharging outcrops, secondary convection adjacent to the recharging outcrop, crustal permeability determinations made in boreholes, and the lack of a regional seafloor heat flux anomaly as a consequence of advective heat loss from the crust. Three-dimensional simulations are most consistent with field observations when models use a crustal permeability of 3 ×10 -13 to 2 × 10 -12 m 2 , and the crustal aquifer is ≤300 m thick, values consistent with borehole observations. Here, we find fluid flow rates and crustal cooling efficiencies that are an order of magnitude greater in three-dimensional simulations than in two-dimensional simulations using equivalent properties. Lastly, simulations including discharge from an additional outcrop can also replicate field observations but tend to increase the overall rate of recharge and reduce the flow rate at the primary discharge site.

58 GEOSCIENCES↗