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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bound-preserving finite element approximations of the Keller–Segel equations

We report this paper aims to develop numerical approximations of the Keller–Segel equations that mimic at the discrete level the lower bounds and the energy law of the continuous problem. We solve these equations for two unknowns: the organism (or cell) density, which is a positive variable, and the chemoattractant density, which is a non-negative variable. We propose two algorithms, which combine a stabilized finite element method and a semi-implicit time integration. The stabilization consists of a nonlinear artificial diffusion that employs a graph-Laplacian operator and a shock detector that localizes local extrema. As a result, both algorithms turn out to be nonlinear and can generate cell and chemoattractant numerical densities fulfilling lower bounds. However, the first algorithm requires a suitable constraint between the space and time discrete parameters, whereas the second one does not. We design the latter to attain a discrete energy law on acute meshes. We report some numerical experiments to validate the theoretical results on blowup and nonblowup phenomena. In the blowup setting, we identify a locking phenomenon that relates the L ∞ (Ω)-norm to the L 1 (Ω)-norm limiting the growth of the singularity when supported on a macroelement.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Recent progress in the development and understanding of SUPG methods with special reference to the compressible Euler and Navier-Stokes equations

The current status of streamline-upwind/Petrov-Galerkin (SUPG) methods for the analysis of flow problems is surveyed in an analytical review. Problem areas addressed include classical Galerkin, upwind, artificial-diffusion, SUPG, discontinuous Galerkin, space-time FEM, and discontinuity-capturing approaches to the scalar advection-diffusion equation; incompressible flows; advective-diffusive systems; and the compressible Euler and Navier-Stokes equations. Graphs and diagrams are provided, and the good stability properties of state-of-the-art SUPG methods are pointed out.

Hughes, Thomas J. R.↗
NASA NTRS1994

Transport characteristics of a finite-difference dynamics model combined with a spectral transport model of the middle atmosphere

A three-dimensional off-line spectral transport model has been combined with a global, mechanistic, finite-difference dynamics model of the middle atmosphere in order to study transport and photochemistry in the middle atmosphere for specific, observed episodes. In this paper, the basic transport characteristics of the combined models are examined, first using steady, idealized flow fields and second using time-dependent flow fields closely related to observed atmospheric behavior. Transport conducted with the combined models is found to compare favorably with transport conducted on-line in the dynamics model, given appropriate time averaging of the flow fields and suitable choice of artificial diffusion.

Duncan, T.↗
NASA NTRS2006

Simulations of Sea-Ice Dynamics Using the Material-Point Method

In recent years, the availability of large volumes of recorded ice motion derived from high-resolution SAR data has provided an amazingly detailed look at the deformation of the ice cover. The deformation is dominated by the appearance of linear kinematic features that have been associated with the presence of leads. These remarkable data put us in a position to begin detailed evaluation of current coupled mechanical and thermodynamic models of sea ice. This presentation will describe the material point method (MPM) for solving these model equations. MPM is a numerical method for continuum mechanics that combines the best aspects of Lagrangian and Eulerian discretizations. The material points provide a Lagrangian description of the ice that models convection naturally. Thus, properties such as ice thickness and compactness are computed in a Lagrangian frame and do not suffer from errors associated with Eulerian advection schemes, such as artificial diffusion, dispersion, or oscillations near discontinuities. This desirable property is illustrated by solving transport of ice in uniform, rotational and convergent velocity fields. Moreover, the ice geometry is represented by unconnected material points rather than a grid. This representation facilitates modeling the large deformations observed in the Arctic, as well as localized deformation along leads, and admits a sharp representation of the ice edge. MPM also easily allows the use of any ice constitutive model. The versatility of MPM is demonstrated by using two constitutive models for simulations of wind-driven ice. The first model is a standard viscous-plastic model with two thickness categories. The MPM solution to the viscous-plastic model agrees with previously published results using finite elements. The second model is a new elastic-decohesive model that explicitly represents leads. The model includes a mechanism to initiate leads, and to predict their orientation and width. The elastic-decohesion model can provide similar overall deformation as the viscous-plastic model; however, explicit regions of opening and shear are predicted. Furthermore, the efficiency of MPM with the elastic-decohesive model is competitive with the current best methods for sea ice dynamics. Simulations will also be presented for an area of the Beaufort Sea, where predictions can be validated against satellite observations of the Arctic.

Sulsky, D.↗
NASA NTRSDate not supplied

Investigating Photogrammetric Accuracy of a Lunar-lander-induced Crater Measurement System

Laboratory measurements have been made to validate the performance of the Stereo CAmeras for Lunar Plume-Surface Studies (SCALPSS) stereo photogrammetry systems which will be flying to the moon on two of NASA’s upcoming Commercial Lunar Payload Services (CLPS) missions. Until recently, the system’s accuracy had only been studied using idealized geometric shapes as measurement targets. A realistic crater model of representative scale and an idealized ‘staircase’ target have been used to compare measurement accuracy of ideal versus lunar-like objects, with the commercial V-STARS® system being used to provide the known reference values for comparison. In a parametric study, altitude, lens focal length, and camera separation are varied to assess each parameter’s impact on photogrammetric accuracy in relation to the scaling law prediction developed previously. The SCALPSS 1.0 and 1.1 configurations have been validated on the crater model within acceptable accuracy for the missions, performing significantly better than the scaling law prediction in some cases. A semi-automated post-processing routine was developed in MATLAB® and proved successful for the cross-correlation of features between two stereo images. For some cases of extreme convergence angles between a camera pair, manual feature detection and matching was required. By using this manual process, the crater depth map was reconstructed but with worse accuracy than the idealized staircase measurements; refinements to the processing algorithm are expected to improve future results. Also examined in this work is the impact of illumination environments, both natural (e.g., Sun angles) and artificial (diffuse or structured illumination sources), on the camera system’s ability to measure the erosion of the lunar terrain.

Plume-surface interaction↗
NASA NTRSDate not supplied

Investigating Photogrammetric Accuracy of a Lunar-lander-induced Crater Measurement System

Laboratory measurements have been made to validate the performance of the Stereo CAmeras for Lunar Plume-Surface Studies (SCALPSS) stereo photogrammetry systems which will be flying to the moon on two of NASA’s upcoming Commercial Lunar Payload Services (CLPS) missions. Until recently, the system’s accuracy had only been studied using idealized geometric shapes as measurement targets. A realistic crater model of representative scale and an idealized ‘staircase’ target have been used to compare measurement accuracy of ideal versus lunar-like objects, with the commercial V-STARS® system being used to provide the known reference values for comparison. In a parametric study, altitude, lens focal length, and camera separation are varied to assess each parameter’s impact on photogrammetric accuracy in relation to the scaling law prediction developed previously. The SCALPSS 1.0 and 1.1 configurations have been validated on the crater model within acceptable accuracy for the missions, performing significantly better than the scaling law prediction in some cases. A semi-automated post-processing routine was developed in MATLAB® and proved successful for the cross-correlation of features between two stereo images. For some cases of extreme convergence angles between a camera pair, manual feature detection and matching was required. By using this manual process, the crater depth map was reconstructed but with worse accuracy than the idealized staircase measurements; refinements to the processing algorithm are expected to improve future results. Also examined in this work is the impact of illumination environments, both natural (e.g., Sun angles) and artificial (diffuse or structured illumination sources), on the camera system’s ability to measure the erosion of the lunar terrain.

Plume-surface interaction↗
NASA NTRS2004

New Gas Polarographic Hydrogen Sensor

Polarography is the measurement of the current that flows in solution as a function of an applied voltage. The actual form of the observed polarographic current depends upon the manner in which the voltage is applied and on the characteristics of the working electrode. The new gas polarographic H2 sensor shows a current level increment with concentration of the gaseous H2 similar to those relating to metal ions in liquid electrolytes in well-known polarography. This phenomenon is caused by the fact that the diffusion of the gaseous H2 through a gas diffusion hole built in the sensor is a rate-determining step in the gaseous-hydrogen sensing mechanism. The diffusion hole artificially limits the diffusion of the gaseous H2 toward the electrode located at the sensor cavity. This gas polarographic H2 sensor. is actually an electrochemical-pumping cell since the gaseous H2 is in fact pumped via the electrochemical driving force generated between the electrodes. Gaseous H2 enters the diffusion hole and reaches the first electrode (anode) located in the sensor cavity to be transformed into an H+ ions or protons; H+ ions pass through the electrolyte and reach the second electrode (cathode) to be reformed to gaseous H2. Gas polarographic 02 sensors are commercially available; a gas polarographic 02 sensor was used to prove the feasibility of building a new gas polarographic H2 sensor.

Dominguez, Jesus A.↗
NASA NTRS2006

H2 Detection via Polarography

Polarography is the measurement of the current that flows in solution as a function of an applied voltage. The actual form of the observed polarographic current depends upon the manner in which the voltage is applied and on the characteristics of the working electrode. The new gas polarographic H2 sensor shows a current level increment with concentration of the gaseous H2 similar to those relating to metal ions in liquid electrolytes in well-known polarography. This phenomenon is caused by the fact that the diffusion of the gaseous H2 through a gas diffusion hole built in the sensor is a rate-determining step in the gaseous-hydrogen sensing mechanism. The diffusion hole artificially limits the diffusion of the gaseous H2 toward the electrode located at the sensor cavity. This gas polarographic H2 sensor is actually an electrochemical-pumping cell since the gaseous H2 is in fact pumped via the electrochemical driving force generated between the electrodes. Gaseous H2 enters the diffusion hole and reaches the first electrode (anode) located in the sensor cavity to be transformed into an H ions or protons; H ions pass through the electrolyte and reach the second electrode (cathode) to be reformed to gaseous H2. Gas polarographic O2 sensors are commercially available; a gas polarographic O2 sensor was used to prove the feasibility of building a new gas polarographic H2 sensor.

Dominquez, Jesus↗
DOE OSTI2026

High-Fidelity, Low-Dissipation/Symmetry-Preserving Numerical Scheme for Solving the Euler Equations with Unstructured, Metric-Based Mesh Adaptation

This work presents an overview of a high-fidelity compressible Euler solver that utilizes the continuous Galerkin (CG) method with added artificial numerical diffusion for stabilization to solve a variety of unsteady and steady benchmark inviscid flow problems. This work shows that discretizing the Euler equations with this CG approach and first order basis functions produces a cost-effective stencil as well as simple well-posed boundary conditions. We show through convergence testing with manufactured solutions that the reduced stencil of CG, combined with the low amount of artificial diffusion required when using the stabilization method outlined in this work, leads to stable and highly accurate results for a variety of unsteady and steady applications. When combined with the adaptive mesh refinement approach used for many of the cases in this work, our results show that the flow solver achieves even more accurate results. A variety of inviscid flow cases are presented in this work, including transient 2D cases with complex shock structures and several steady 3D airfoils sections with a constant span.

Doetsch, Kevin [ORNL] (ORCID:0000000267051705)↗
DOE OSTI2021

Artificial neural network prediction of self-diffusion in pure compounds over multiple phase regimes

Artificial neural networks (ANNs) were developed to accurately predict the self-diffusion constants for pure components in liquid, gas and super critical phases. The ANNs were tested on an experimental database of 6625 self-diffusion constants for 118 different chemical compounds. The presence of multiple phases results in a heavy skew in the distribution of diffusion constants and multiple approaches were used to address this challenge. First, an ANN was developed with the raw diffusion values to assess what the main drawbacks of this direct method were. The first approach for improving the predictions involved taking the log 10 of diffusion to provide a more uniform distribution and reduce the range of target output values used to develop the ANN. The second approach involved developing individual ANNs for each phase using the raw diffusion values. Results show that the log transformation leads to a model with the best self-diffusion constant predictions and an overall average absolute deviation (AAD) of 6.56%. The resultant ANN is a generalized model that can be used to predict diffusion across all three phases and over a diverse group of compounds. The importance of each input feature was ranked using a feature addition method revealing that the density of the compound has the largest impact on the ANN prediction of self-diffusion constants in pure compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Long-Range Exciton Diffusion in Two-Dimensional Assemblies of Cesium Lead Bromide Perovskite Nanocrystals

Förster resonant energy transfer (FRET)-mediated exciton diffusion through artificial nanoscale building block assemblies could be used as an optoelectronic design element to transport energy. However, so far, nanocrystal (NC) systems supported only diffusion lengths of 30 nm, which are too small to be useful in devices. In this work, we demonstrate a FRET-mediated exciton diffusion length of 200 nm with 0.5 cm 2 /s diffusivity through an ordered, two-dimensional assembly of cesium lead bromide perovskite nanocrystals (CsPbBr 3 PNCs). Exciton diffusion was directly measured via steady-state and time-resolved photoluminescence (PL) microscopy, with physical modeling providing deeper insight into the transport process. This exceptionally efficient exciton transport is facilitated by PNCs' high PL quantum yield, large absorption cross section, and high polarizability, together with minimal energetic and geometric disorder of the assembly. This FRET-mediated exciton diffusion length matches perovskites' optical absorption depth, thus enabling the design of device architectures with improved performances and providing insight into the high conversion efficiencies of PNC-based optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Drop size distribution broadening mechanisms in a bin microphysics Eulerian model

In this study, processes that broaden drop size distributions (DSDs) in Eulerian models with two-moment bin microphysics are analyzed. Numerous tests are performed to isolate the effects of different physical mechanisms that broaden DSDs in two- and three-dimensional Weather Research and Forecasting model simulations of an idealized ice-free cumulus cloud. Additionally, sensitivity of these effects to modifying horizontal and vertical model grid spacings is also examined. As expected, collision-coalescence is a key process broadening the modeled DSDs. In-cloud droplet activation also contributes substantially to DSD broadening, whereas evaporation has only a minor effect and sedimentation has little effect. Cloud dilution (mixing of cloud-free and cloudy air) also broadens the DSDs considerably, whether or not it is accompanied by evaporation. This mechanism involves the reduction of droplet concentration from dilution along the cloud’s lateral edges, leading to locally high supersaturation and enhanced drop growth when this air is subsequently lifted in the updraft. DSD broadening ensues when the DSDs are mixed with those from the cloud core. Decreasing the horizontal and vertical model grid spacings from 100 m to 30 m has limited impact on the DSDs. However, when these physical broadening mechanisms (in-cloud activation, collision-coalescence, dilution, etc.) are turned off, there is a reduction of DSD width by up to ~20-50% when the vertical grid spacing is decreased from 100 m to 30 m, consistent with effects of artificial broadening from vertical numerical diffusion. Nonetheless, this artificial numerical broadening appears to be relatively unimportant overall for DSD broadening when physically based broadening mechanisms in the model are included for this cumulus case.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Parallel diffusion operator for magnetized plasmas with improved spectral fidelity

Diffusive transport processes in magnetized plasmas are highly anisotropic, with fast parallel transport along the magnetic field lines sometimes faster than perpendicular transport by orders of magnitude. This constitutes a major challenge for describing non-grid-aligned magnetic structures in Eulerian (grid-based) simulations. Here, the present paper describes and validates a new method for parallel diffusion in magnetized plasmas based on the anti-symmetry representation [Halpern and Waltz, Phys. Plasmas 25, 060703 (2018)]. In the anti-symmetry formalism, diffusion manifests as a flow operator involving the logarithmic derivative of the transported quantity. Qualitative plane wave analysis shows that the new operator naturally yields better discrete spectral resolution compared to its conventional counterpart. Numerical simulations comparing the new method against existing finite difference methods are carried out, showing significant improvement. In particular, we find that combining anti-symmetry with finite differences in diagonally staggered grids essentially eliminates the so-called “artificial numerical diffusion” that affects conventional finite difference and finite volume methods.

Anisotropic diffusion↗
DOE OSTI2022

Prediction of Self-Diffusion in Binary Fluid Mixtures Using Artificial Neural Networks

Artificial neural networks (ANNs) were developed to accurately predict the self-diffusion constants for individual components in binary fluid mixtures. The ANNs were tested on an experimental database of 4328 self-diffusion constants from 131 mixtures containing 75 unique compounds. The presence of strong hydrogen bonding molecules may lead to clustering or dimerization resulting in non-linear diffusive behavior. To address this, self- and binary association energies were calculated for each molecule and mixture to provide information on intermolecular interaction strength and were used as input features to the ANN. An accurate, generalized ANN model was developed with an overall average absolute deviation of 4.1%. Forward input feature selection reveals the importance of critical properties and self-association energies along with other fluid properties. Additional ANNs were developed with subsets of the full input feature set to further investigate the impact of various properties on model performance. The results from two specific mixtures are discussed in additional detail: one providing an example of strong hydrogen bonding and the other an example of extreme pressure changes, with the ANN models predicting self-diffusion well in both cases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

On the origin of steep edges and filaments in vorticity and potential vorticity fields

High-resolution numerical calculations are shown which capture the fundamental process responsible for the intensification of vorticity gradients in an isolated vortex subject to externally imposed distrubances. Imposition of almost any weak strain or shear field in stripping away the relatively weak vorticity at the edge of the vortex and leaves it with gradients four to six orders of magnitude greater than in the initial state. Calculations displaying such enormous gradients have never been reported previously, because of the artificial eddy diffusivities that always limit such gradients in standard numerical models. The present calculations, which have no such limitations, have been made possible by the development of a novel and robust new numerical technique for vortex dynamics called contour surgery.

Dritschel, D. G.↗
NASA NTRS1991

Leading-edge receptivity for blunt-nose bodies

This research program investigates boundary-layer receptivity in the leading-edge region for bodies with blunt leading edges. Receptivity theory provides the link between the unsteady distrubance environment in the free stream and the initial amplitudes of the instability waves in the boundary layer. This is a critical problem which must be addressed in order to develop more accurate prediction methods for boundary-layer transition. The first phase of this project examines the effects of leading-edge bluntness and aerodynamic loading for low Mach number flows. In the second phase of the project, the investigation is extended to supersonic Mach numbers. Singular perturbation techniques are utilized to develop an asymptotic theory for high Reynolds numbers. In the first year, the asymptotic theory was developed for leading-edge receptivity in low Mach number flows. The case of a parabolic nose is considered. Substantial progress was made on the Navier-Sotkes computations. Analytical solutions for the steady and unsteady potential flow fields were incorporated into the code, greatly expanding the types of free-stream disturbances that can be considered while also significantly reducing the the computational requirements. The time-stepping algorithm was modified so that the potential flow perturbations induced by the unsteady pressure field are directly introduced throughout the computational domain, avoiding an artificial 'numerical diffusion' of these from the outer boundary. In addition, the start-up process was modified by introducing the transient Stokes wave solution into the downstream boundary conditions.

Kerschen, Edward J.↗
NASA NTRS1945

Some Basic Laws of Isotropic Turbulent Flow

An Investigation is made of the diffusion of artificially produced turbulence behind screens or other turbulence producers. The method is based on the author's concept of disturbance moment as a certain theoretically well-founded measure of turbulent disturbances.

Loitsianskii, L. G.↗