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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Three-Dimensional Modeling of the Solar Wind: From the Coronal Base to the Outer Heliosphere

We have developed a global fully three-dimensional magnetohydrodynamic solar wind model for the region that extends from the coronal base to 100 AU. The simulation domain consists of tree spherical shell subdomains with computational boundaries between them placed at 20 solar radii and 0.3 AU. The location of the first boundary ensures that the flow at the boundary is both supersonic and super-Alfvenic. A steady-state solution in the innermost (coronal) region is obtained by the time-relaxation method. The solution uses a tilted dipole model or solar magnetograms as the boundary condition at the coronal base and includes a flux of Alfven waves in the WKB approximation which provide additional acceleration for the coronal outflow in the open field regions. The intermediate region solution is constructed by the integration of steady-state equations along radius using a marching scheme. The outer region solution (0.3-100 AU) is obtained again by the time relaxation and takes into account turbulence transport and heating as well as heating, flow deceleration, and other effects due to the interstellar pickup protons treated as a separate fluid. We use the model to simulate the global steady-state structure of the solar wind from the coronal base to the heliospheric boundary and compare the results with Ulysses and Voyager observations.

Usmanov, A. V↗
DOE OSTI2026

Assessing shellfish water exposure to fecal bacteria pollution in Salish Sea: three-dimensional modeling and implications for monitoring

Fecal bacteria (FB) contamination poses significant risks to shellfish safety and management in coastal and estuarine waters. Despite extensive pollution identification and correction efforts, FB contamination in shellfish-growing areas persists in the Salish Sea, highlighting the need to identify overlooked sources and better understand FB transport from riverine and shoreline inputs to shellfish beds. To address this, a high-resolution three-dimensional hydrodynamic model coupled with FB kinetics was developed and applied to a case study site in Salish Sea—Portage Bay—to simulate freshwater plume circulation, flushing dynamics, and bacterial transport. Daily FB loading from the major freshwater inflow—Nooksack River was generated by both linear interpolation and integrating a machine learning approach (XGBoost), trained on historical hydrological and meteorological data. The model successfully reproduced both the magnitude and seasonal variation of FB concentrations in Portage Bay for the year of 2021, demonstrating that simplified FB kinetics with first-order decay due to mortality was effective in this dynamic coastal environment with short flushing time. Model results identified the Nooksack River as the dominant far-field FB source, while scenario simulations showed that near-field coastal stormwater outfalls elevated local FB levels following rainfall, particularly under low-flow conditions. The XGBoost prediction provided comparable or superior accuracy to linear interpolation, particularly during periods of missing observational data, by capturing short-term variability and event-driven loading more effectively. Integrating data-driven riverine FB inputs with mechanistic coastal numerical modeling provides a robust framework for operational forecasting of shellfish bed exposure risk and supports adaptive monitoring and management of shellfish growing areas in the Salish Sea and similar coastal systems.

Salish Sea↗
DOE OSTI2011

THREE-DIMENSIONAL MODELING OF RELATIVISTIC COLLISIONLESS ION-ELECTRON SHOCKS

Two-dimensional (2D) modeling of collisionless shocks has been of tremendous importance in understanding the physics of nonlinear evolution, momentum transfer, and particle acceleration, but current computer capacities have now reached a point where three-dimensional (3D) modeling is becoming feasible. We present the first 3D model of a fully developed and relaxed relativistic ion-electron shock, and analyze and compare it to similar 2D models. Quantitative and qualitative differences are found with respect to the 2D models. The shock jump conditions are naturally different, because of the extra degree of freedom, but in addition it is found that strong parallel electric fields develop at the shock interface, the level of magnetic field energy is lower, and the non-thermal particle distribution is shallower with a power-law index of {approx}2.2.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Cell culture for three-dimensional modeling in rotating-wall vessels: an application of simulated microgravity

High-density, three-dimensional cell cultures are difficult to grow in vitro. The rotating-wall vessel (RWV) described here has cultured BHK-21 cells to a density of 1.1 X 10(7) cells/ml. Cells on microcarriers were observed to grow with enhanced bridging in this batch culture system. The RWV is a horizontally rotated tissue culture vessel with silicon membrane oxygenation. This design results in a low-turbulence, low-shear cell culture environment with abundant oxygenation. The RWV has the potential to culture a wide variety of normal and neoplastic cells.

Weightlessness Simulation↗
DOE OSTI2018

Three-dimensional modeling and numerical predictions of multimodal nonlinear behavior in damaged concrete blocks

In this work, the multimodal nonlinear elastic behavior of concrete, which is representative of a consolidated granular material, is modeled numerically. Starting from a local three-dimensional softening law, the initial stiffness properties are re-estimated according to the local strain field. The experiments deal with samples of thermally damaged concrete blocks successively excited around their first three modes of vibration. The geometry of these samples cannot be described by a one-dimensional approximation in these experiments where compressional and shear motions are strongly coupled. Despite this added complexity, the nonlinear behavior for the three modes of vibration of the samples is well captured by the simulations using a single scalar nonlinear parameter appropriately integrated into the elasticity equations. Finally, it is shown that without sufficient attention paid to the latter, the conclusions would have brought erroneous statements such as nonlinearity dispersion or strain type dependence.

58 GEOSCIENCES↗
DOE OSTI2014

Inversion of infrared imaging bolometer based on one-dimensional and three-dimensional modeling in HL-2A

Linear regularization has been applied to the HL-2A infrared imaging bolometer to reconstruct local plasma emission with one-dimensional (1D) and three-dimensional (3D) modeling under the assumption of toroidal symmetry. In the 3D modeling, a new method to calculate the detector point response function is introduced. This method can be adapted to an arbitrarily shaped pinhole. With the full 3D treatment of the detector geometry, up to 50% of the mean-squared error is reduced compared with the 1D modeling. This is attributed to the effects of finite detector size being taken into account in the 3D modeling. Meanwhile, the number of the bolometer pixels has been optimized to 20 × 20 by making a trade-off between the number of bolometer pixels and the sensitivity of the system. The plasma radiated power density distributions have been calculated as a demonstration using 1D modeling and 3D modeling, respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Three-dimensional modeling and simulations of single-crystal and bi-crystal titanium for high-strain-rate loading conditions

High purity single crystal titanium (Ti) under shock wave loading is modeled under both one-dimensional and three-dimensional cylindrical conditions. Cylinder sizes of 10 μm and 20 μm radius are both considered in order to assess influence of boundary conditions. A thermodynamically consistent single crystal model for application to shock conditions is presented. The model accounts for the coupled non-linear elastic, dislocation slip, deformation twinning, and structural phase transformation response of the titanium material. Plate impact experiment results using a copper flyer are used to compare against the simulations for crystals oriented in [0001] and [10$\overline1$1] crystallographic directions. The one-dimensional and threedimensional simulations of the two differently oriented single crystals indicate differences between the one-dimensional and three-dimensional representation, especially for the [10$\overline1$1] oriented single crystal. This orientation breaks the relative orientation symmetry between the crystal and cylinder which otherwise exists for the [0001] oriented single crystal. A significant amount of heterogeneity in the field response of the[10$\overline1$1] oriented simulation was demonstrated due to the highly coupled nature of the deformation. A bi-crystal model composed of both the [0001] and [10$\overline1$1] orientations with the boundary between the two along the axis of the cylinder is also considered for a cylinder model size of 10 μm. The results indicate a strong interaction between the two grains that affects the ω phase volume fraction achieved relative to the single crystal calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Combining Three-Dimensional Modeling with Artificial Intelligence to Increase Specificity and Precision in Peptide–MHC Binding Predictions

The reliable prediction of the affinity of candidate peptides for the MHC is important for predicting their potential antigenicity and thus influences medical applications, such as decisions on their inclusion in T cell–based vaccines. In this study, we present a rapid, predictive computational approach that combines a popular, sequence-based artificial neural network method, NetMHCpan 4.0, with three-dimensional structural modeling. We find that the ensembles of bound peptide conformations generated by the programs MODELLER and Rosetta FlexPepDock are less variable in geometry for strong binders than for low-affinity peptides. In tests on 1271 peptide sequences for which the experimental dissociation constants of binding to the well-characterized murine MHC allele H-2D b are known, by applying thresholds for geometric fluctuations the structure-based approach in a standalone manner drastically improves the statistical specificity, reducing the number of false positives. Furthermore, filtering candidates generated with NetMHCpan 4.0 with the structure-based predictor led to an increase in the positive predictive value (PPV) of the peptides correctly predicted to bind very strongly (i.e., Kd < 100 nM) from 40 to 52% (p = 0.027). The combined method also significantly improved the PPV when tested on five human alleles, including some with limited data for training. Overall, an average increase of 10% in the PPV was found over the standalone sequence-based method. The combined method should be useful in the rapid design of effective T cell–based vaccines.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1994

Three dimensional model calculations of the global dispersion of high speed aircraft exhaust and implications for stratospheric ozone loss

Two-dimensional (zonally averaged) photochemical models are commonly used for calculations of ozone changes due to various perturbations. These include calculating the ozone change expected as a result of change in the lower stratospheric composition due to the exhaust of a fleet of supersonic aircraft flying in the lower stratosphere. However, zonal asymmetries are anticipated to be important to this sort of calculation. The aircraft are expected to be restricted from flying over land at supersonic speed due to sonic booms, thus the pollutant source will not be zonally symmetric. There is loss of pollutant through stratosphere/troposphere exchange, but these processes are spatially and temporally inhomogeneous. Asymmetry in the pollutant distribution contributes to the uncertainty in the ozone changes calculated with two dimensional models. Pollutant distributions for integrations of at least 1 year of continuous pollutant emissions along flight corridors are calculated using a three dimensional chemistry and transport model. These distributions indicate the importance of asymmetry in the pollutant distributions to evaluation of the impact of stratospheric aircraft on ozone. The implications of such pollutant asymmetries to assessment calculations are discussed, considering both homogeneous and heterogeneous reactions.

Douglass, Anne R.↗
DOE OSTI2024

Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling

Clustering of gaseous sulfuric acid (SA) enhanced by dimethylamine (DMA) is a major mechanism for new particle formation (NPF) in polluted atmospheres. However, uncertainty remains regarding the SA–DMA nucleation parameterization that reasonably represents cluster dynamics and is applicable across various atmospheric conditions. This uncertainty hinders accurate three-dimensional (3-D) modeling of NPF and the subsequent assessment of its environmental and climatic impacts. Here we extensively compare different cluster-dynamics-based parameterizations for SA–DMA nucleation and identify the most reliable one through a combination of box model simulations, 3-D modeling, and in situ observations. Results show that the parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations, incorporating the latest theoretical insights (DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-311++G(3df,3pd) level of theory) and adequate representation of cluster dynamics, exhibits dependable performance in 3-D NPF simulation for both winter and summer conditions in Beijing and shows promise for application in diverse atmospheric conditions. Another ACDC-derived parameterization, replacing the level of theory with RI-CC2/aug-cc-pV(T+d)Z//M06-2X/6–311++G(3df,3pd), also performs well in NPF modeling at relatively low temperatures around 280 K but exhibits limitations at higher temperatures due to inappropriate representation of SA–DMA cluster thermodynamics. Additionally, a previously reported parameterization incorporating simplifications is applicable for simulating NPF in polluted atmospheres but tends to overestimate particle formation rates under conditions of elevated temperature (>∼300 K) and low-condensation sink (<∼3×10 -3 s −1 ). Our findings highlight the applicability of the new ACDC-derived parameterization, which couples the latest SA–DMA nucleation theory and holistic cluster dynamics, in 3-D NPF modeling. The ACDC-derived parameterization framework provides a valuable reference for developing parameterizations for other nucleation systems.

Shen, Jiewen↗
NASA NTRS1990

Three-dimensional modelling of horizontal chemical vapor deposition. I - MOCVD at atmospheric pressure

A systematic numerical study of the MOCVD of GaAs from trimethylgallium and arsine in hydrogen or nitrogen carrier gas at atmospheric pressure is reported. Three-dimensional effects are explored for CVD reactors with large and small cross-sectional aspect ratios, and the effects on growth rate uniformity of tilting the susceptor are investigated for various input flow rates. It is found that, for light carrier gases, thermal diffusion must be included in the model. Buoyancy-driven three-dimensional flow effects can greatly influence the growth rate distribution through the reactor. The importance of the proper design of the lateral thermal boundary conditions for obtaining layers of uniform thickness is emphasized.

Ouazzani, Jalil↗
NASA NTRS1977

Three-dimensional modelling in magnetotelluric and magnetic variational sounding

The Galerkin finite-element method is used to obtain approximate solutions for the three-dimensional induction problem. A rectangular conductive prism is considered as an example, and solutions are obtained for linear and circularly polarized incident plane-wave fields. Magnetotelluric tensor impedances and magnetic transfer functions are computed. Polar diagrams of the tensor impedances and magnetic transfer functions along with their amplitude contour maps are presented. The dimensionality parameter, skew, is contoured at the surface of the earth. It is shown that the relative amplitudes and shapes of the additional and principal impedance polar diagrams can be used to determine the dimensionality of geoelectrical structures. Stations with skew values greater than 0.2 are significantly influenced by the three-dimensionality of the geoelectric structure. The amplitudes of the magnetic transfer function and the orientations of its polar diagrams exhibit large anomalies in the vicinity of the intersection of the lateral contacts.

Reddy, I. K.↗
NASA NTRS1978

A three-dimensional model of corotating streams in the solar wind. I - Theoretical foundations

The paper is concerned with the development of the theoretical and mathematical background pertinent to the study of steady, corotating solar wind structure in all three spatial dimensions. The dynamical evolution of the plasma in interplanetary space (defined as the region beyond roughly 35 Rs where the flow is supersonic) is approximately described by the nonlinear, single-fluid, polytropic magnetohydrodynamic or hydrodynamic equations. Efficient numerical techniques are outlined for solving this complex system of coupled, hyperbolic partial differential equations. The present formulation is inviscid and nonmagnetic, but the methods used allow for the potential inclusion of both features with only modest modifications. A simple, highly idealized hydrodynamic model stream is examined to illustrate the fundamental processes involved in the three-dimensional dynamics of stream evolution. It is found that spatial variations in the rotational stream interaction mechanism produce small nonradial flows on a global scale that lead to the transport of mass, energy, and momentum away from regions of relative compression and into regions of relative rarefaction. Comparison with simpler models demonstrates the essential nonlinear, multidimensional nature of the interplanetary dynamics.

Pizzo, V.↗
DOE OSTI2015

THE ATMOSPHERIC CIRCULATION OF THE HOT JUPITER WASP-43b: COMPARING THREE-DIMENSIONAL MODELS TO SPECTROPHOTOMETRIC DATA

The hot Jupiter WASP-43b (2 M{sub J}, 1 R{sub J}, T {sub orb} = 19.5 hr) has now joined the ranks of transiting hot Jupiters HD 189733b and HD 209458b as an exoplanet with a large array of observational constraints. Because WASP-43b receives a similar stellar flux as HD 209458b but has a rotation rate four times faster and a higher gravity, studying WASP-43b probes the effect of rotation rate and gravity on the circulation when stellar irradiation is held approximately constant. Here we present three-dimensional (3D) atmospheric circulation models of WASP-43b, exploring the effects of composition, metallicity, and frictional drag. We find that the circulation regime of WASP-43b is not unlike other hot Jupiters, with equatorial superrotation that yields an eastward-shifted hotspot and large day-night temperature variations (∼600 K at photospheric pressures). We then compare our model results to Hubble Space Telescope (HST)/WFC3 spectrophotometric phase curve measurements of WASP-43b from 1.12 to 1.65 μm. Our results show the 5× solar model light curve provides a good match to the data, with a peak flux phase offset and planet/star flux ratio that is similar to observations; however, the model nightside appears to be brighter. Nevertheless, our 5× solar model provides an excellent match to the WFC3 dayside emission spectrum. This is a major success, as the result is a natural outcome of the 3D dynamics with no model tuning. These results demonstrate that 3D circulation models can help interpret exoplanet atmospheric observations, even at high resolution, and highlight the potential for future observations with HST, James Webb Space Telescope, and other next-generation telescopes.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

Global three-dimensional model calculations of the budgets and present-day atmospheric lifetimes of CF2ClCFCl2 (CFC-113) and CHClF2 (CFC-22)

The annual percentage increases in concentrations of the chlorofluorocarbons CFC-113 (an industrial solvent) and CFC-22 (a refrigerant) are the highest among major chlorofluorocarbons in the atmosphere today. The present-day atmospheric lifetimes for these species are computed using a global three-dimensional dynamical-chemical model. The present-day lifetimes of both are long (15.5 years for CFC-22 and 136 or 195 years for CFC-113, depending on assumed O2 absorption cross sections), underscoring the need to decrease their emissions in order to minimize their future role in ozone destruction and greenhouse warming.

Golombek, Amram↗
NASA NTRS2016

Three-Dimensional Modeling of Aircraft High-Lift Components with Vehicle Sketch Pad

Vehicle Sketch Pad (OpenVSP) is a parametric geometry modeler that has been used extensively for conceptual design studies of aircraft, including studies using higher-order analysis. OpenVSP can model flap and slat surfaces using simple shearing of the airfoil coordinates, which is an appropriate level of complexity for lower-order aerodynamic analysis methods. For three-dimensional analysis, however, there is not a built-in method for defining the high-lift components in OpenVSP in a realistic manner, or for controlling their complex motions in a parametric manner that is intuitive to the designer. This paper seeks instead to utilize OpenVSP's existing capabilities, and establish a set of best practices for modeling high-lift components at a level of complexity suitable for higher-order analysis methods. Techniques are described for modeling the flap and slat components as separate three-dimensional surfaces, and for controlling their motion using simple parameters defined in the local hinge-axis frame of reference. To demonstrate the methodology, an OpenVSP model for the Energy-Efficient Transport (EET) AR12 wind-tunnel model has been created, taking advantage of OpenVSP's Advanced Parameter Linking capability to translate the motions of the high-lift components from the hinge-axis coordinate system to a set of transformations in OpenVSP's frame of reference.

Olson, Erik D.↗
DOE OSTI2018

Three-dimensional model of intracellular and intercellular Ca2+ waves propagation in endothelial cells

Highlights: • Image-based 3D simulation model for intercellular and intracellular Ca{sup 2+} waves. • Metabolic reactions were divided into membrane and cytoplasm domains. • Ca{sup 2+} and IP{sub 3} diffused across the cell and gap junctions. • Ca{sup 2+} waves are propagated from focal stimulated point in numerical simulation. • Ca{sup 2+} wave speed was in agreement with those from cell culture experiments. Intracellular and intercellular Ca{sup 2+} waves play key roles in cellular functions, and focal stimulation triggers Ca{sup 2+} wave propagation from stimulation points to neighboring cells, involving localized metabolism reactions and specific diffusion processes. Among these, inositol 1,4,5-trisphosphate (IP{sub 3}) is produced at membranes and diffuses into the cytoplasm to release Ca{sup 2+} from endoplasmic reticulum (ER). In this study, we developed a three-dimensional (3D) simulation model for intercellular and intracellular Ca{sup 2+} waves in endothelial cells (ECs). 3D model of 2 cells was reconstructed from confocal microscopic images and was connected via gap junctions. Cells have membrane and cytoplasm domains, and metabolic reactions were divided into each domain. Finally, the intracellular and intercellular Ca{sup 2+} wave propagations were induced using microscopic stimulation and were compared between numerical simulations and experiments. The experiments showed that initial sharp increases in intracellular Ca{sup 2+} occurred approximately 0.3 s after application of stimuli. In addition, Ca{sup 2+} wave speeds remained constant in cells, with intracellular and intercellular speeds of approximately 35 and 15 μm/s, respectively. Simulations indicated initial increases in Ca{sup 2+} concentrations at points of stimulation, and these were then propagated across stimulated and neighboring cells. In particular, initial rapid increases in intracellular Ca{sup 2+} were delayed and subsequent intracellular and intercellular Ca{sup 2+} wave speeds were approximately 25 and 12 μm/s, respectively. Simulation results were in agreement with those from cell culture experiments, indicating the utility of our 3D model for investigations of intracellular and intercellular messaging in ECs.

60 APPLIED LIFE SCIENCES↗