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Results for “surface complexation modeling”

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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Using a fast Fourier method to model sound propagation in a stratified atmosphere over a stratified porous-elastic ground

Using a Fast Fourier integration method and a global matrix method for solution of the boundary condition equations at all interfaces simultaneously, a useful tool for predicting acoustic propagation in a stratified fluid over a stratified porous-elastic solid was developed. The model for the solid is a modified Biot-Stoll model incorporating four parameters describing the pore structure corresponding to the Rayleigh-Attenborough rigid-porous structure model. The method is also compared to another Fast Fourier code (CERL-FFP) which models the ground as an impedance surface under a horizontally stratified air. Agreement with the CERL FFP is good. The effects on sound propagation of a combination of ground elasticity, complex ground structure, and atmospheric conditions are demonstrated by theoretical results over a snow layer, and experimental results over a model ground surface.

Tooms, S.↗
NASA NTRS1989

A Monte Carlo/response surface strategy for sensitivity analysis: application to a dynamic model of vegetative plant growth

We describe the application of a strategy for conducting a sensitivity analysis for a complex dynamic model. The procedure involves preliminary screening of parameter sensitivities by numerical estimation of linear sensitivity coefficients, followed by generation of a response surface based on Monte Carlo simulation. Application is to a physiological model of the vegetative growth of soybean plants. The analysis provides insights as to the relative importance of certain physiological processes in controlling plant growth. Advantages and disadvantages of the strategy are discussed.

Non-NASA Center↗
DOE OSTI2020

The impact of mineral reactive surface area variation on simulated mineral reactions and reaction rates

Reactive transport modeling is an essential tool to simulate complex geochemical reactions in porous media that can impact formation properties including porosity and permeability. However, simulating these reactions is challenging due to uncertainties in model parameters, particularly mineral surface areas. Imaging has emerged as a powerful means of estimating model parameters including porosity and mineral abundance, accessibility and accessible surface area. However, these parameters, particularly mineral accessible surface area, vary with image resolution. This work aims to enhance understanding of the impact of image resolution and other means of estimating mineral reactive surface area on simulated mineral reactions and reaction rates. Mineral surface areas calculated from images with resolutions of 0.34 μm and 5.71 μm were used to simulate mineral reactions in the context of geologic CO 2 sequestration in the Paluxy formation at the continuum scale. Additional simulations were carried out using BET surface areas collected from the literature and geometric surface areas. Simulations were run for 7300 days and mineral volume fractions and effluent ion concentrations tracked and compared. Variations in mineral surface areas measured from images are within 1 order of magnitude and yield similar simulation results, indicating the impact of image resolution on simulated reactions and reaction rates is minimum for the resolutions and sample considered. In comparison, surface areas obtained from BET and geometric approaches are 1–4 orders of magnitude higher than image-obtained surface areas and result in greater simulated reaction rates and extents. Minerals with high reaction rates (calcite and siderite) are most impacted by surface area values at short times where simulated mineral volume fractions at longer times agree relatively well, even for simulations with several orders of magnitude variation in surface area. Phases with lower reaction rates, such as K-feldspar and muscovite, are predominantly impacted over longer times where variations in surface areas impact reaction extents and porosity evolution. Overall, variations in surface areas due to image resolution are small and result in little variation in simulated reactions and reaction rates while there are significant variations in simulation results when other surface area estimates are used. These variations, however, depend on the reactivity of the mineral phase where surface areas of fast-reacting phases largely impact simulations at short (hours to days) timescales and surface areas of slower-reactive phases impact longer term simulations (years).

58 GEOSCIENCES↗
NASA NTRSDate not supplied

Identification and Study of Validation Level Test Cases for Computational Modeling of Non-Charring Ablators

Computational modeling of Thermal Protection System (TPS) materials, used for aerospace applications, provides numerous advantages in preliminary selection and design of a heatshield material and shape for atmospheric entry vehicles. However, to serve as a reliable tool for prediction of material thermal and ablative behavior, the modeling approach needs to be validated against real experimental and flight data, preferably at a range of applied conditions. The validation study is typically very complex as it requires reliable measured data not only for the material thermal response and surface recession, but also well characterized environmental conditions. The validation problem becomes even more complex when the material thermal response is dictated by multi-physics effects such as solid conduction, in-depth thermal decomposition, pyrolysis gas flow and chemical reactions. The multi-physics effects complicate not only the modeling effort, but also the experimental measurement for validation of various aspects of the highly coupled problem. In this study, an attempt is made to identify suitable experimental data that could serve as a source for validation of material thermal response modeling tools. To reduce the computational complexity, this study focuses only on non-charring ablators, where the material thermal response could be modeled with a single governing equation for solid conduction and the ablation is limited only to the surface of the material. With a well characterized and publicly available experimental data being sparse, the study is limited in presenting test cases for only three materials: camphor, graphite and FiberForm® in the sequence of increased modeling complexity. Graphite is a commonly used TPS material for aerospace applications, both for leading edges of high-speed vehicles and internal insulation of solid rocket motors. FiberForm® is a porous carbon pre-form used in preparation of the well known PICA material Tran et al. [1996]. Inclusion of camphor into the list is conditioned with the relative simplicity in modeling the material thermal and chemical response and the low-enthalpy flow environment. In addition, camphor has been used as a simple test material for study of flow transition behavior by Stock and Ginoux [1973] and assessment of a heatshield shape change at flight relevant conditions by Rotondi et al. [2022]. In this work, the identified experimental data was extracted from the public literature and test cases that yet have been published. As it was found from the review, not a single test case contains an exhaustive set of data that would validate every aspect of the material physics. However, in the data collected, various aspects of the material behavior can be still validated, such as surface and in-depth temperature, amount of recession and a shape change. The identified experimental data for each case is accompanied with a characterized flow environment and simulated boundary conditions predicted by a Data-Parallel Line Relaxation (DPLR) code Wright et al. [1998]. In addition, material thermal response numerical simulations in each test case are performed with Kentucky Aerothermodynamics and Thermal Response System (KATS-MR) Zibitsker et al. [2022] providing a comparative study and a sanity check for the proposed validation data. Sample results from the performed numerical study are shown below. Figure 1 shows distribution of surface heat flux and pressure values on a hemi-cylinder model made of FiberForm® and tested in HyMETS arc-jet facility. The results are shown for the high pressure condition among the two tests. Flow simulation was performed with DPLR code on a quarter of original geometry. In the figure, the quarter shape was mirrored across zx and xy planes to show the complete distribution. Figure 2 shows the material response results for the high pressure case (7500 Pa), simulated with KATS-MR and a comparison to the experimental data for the surface temperature and shape shape. The simulation was performed on a 2-D slice, extracted in the xy plane at the middle of the sample. Figure 3 shows the material response simulation for the low pressure case (3500 Pa) and a comparison to the experimental data for surface temperature and shape change.

ablation↗
NASA NTRS1992

Unforced decadal fluctuations in a coupled model of the atmosphere and ocean mixed layer

Global average temperature in a 100-year control run of a model used for greenhouse gas response simulations showed low-frequency natural variability comparable in magnitude to that observed over the last 100 years. The model variability was found to be barotropic in the atmosphere, and located in the tropical strip with largest values near the equator in the Pacific. The model variations were traced to complex, low-frequency interactions between the meridional sea surface temperature gradients in the eastern equatorial Pacific, clouds at both high and low levels, and features of the tropical atmospheric circulation. The variations in these and other model parameters appear to oscillate between two limiting climate states. The physical scenario accounting for the oscillations on decadal time scales is almost certainly not found in the real world on shorter time scales due to limited resolution and the omission of key physics (e.g., equatorial ocean dynamics) in the model. The real message is that models with dynamical limitations can still produce significant long-term variability. Only a thorough physical diagnosis of such simulations and comparisons with decadal-length data sets will allow one to decide if faith in the model results is, or is not, warranted.

Barnett, T. P.↗
NASA NTRS2016

Ground-Level Digital Terrain Model (DTM) Construction from Tandem-X InSAR Data and Worldview Stereo-Photogrammetric Images

The ground-level digital elevation model (DEM) or digital terrain model (DTM) information are invaluable for environmental modeling, such as water dynamics in forests, canopy height, forest biomass, carbon estimation, etc. We propose to extract the DTM over forested areas from the combination of interferometric complex coherence from single-pass TanDEM-X (TDX) data at HH polarization and Digital Surface Model (DSM) derived from high-resolution WorldView (WV) image pair by means of random volume over ground (RVoG) model. The RVoG model is a widely and successfully used model for polarimetric SAR interferometry (Pol-InSAR) technique for vertical forest structure parameter retrieval [1][2][3][4]. The ground-level DEM have been obtained by complex volume decorrelation in the RVoG model with the DSM using stereo-photogrammetric technique. Finally, the airborne lidar data were used to validate the ground-level DEM and forest canopy height results.

Lee, Seung-Kuk↗
NASA NTRS2014

Using SpaceClaim/TD Direct for Modeling Components with Complex Geometries for the Thermal Desktop-Based Advanced Stirling Radioisotope Generator Model

SpaceClaim/TD Direct has been used extensively in the development of the Advanced Stirling Radioisotope Generator (ASRG) thermal model. This paper outlines the workflow for that aspect of the task and includes proposed best practices and lessons learned. The ASRG thermal model was developed to predict component temperatures and power output and to provide insight into the prime contractors thermal modeling efforts. The insulation blocks, heat collectors, and cold side adapter flanges (CSAFs) were modeled with this approach. The model was constructed using mostly TD finite difference (FD) surfaces solids. However, some complex geometry could not be reproduced with TD primitives while maintaining the desired degree of geometric fidelity. Using SpaceClaim permitted the import of original CAD files and enabled the defeaturing repair of those geometries. TD Direct (a SpaceClaim add-on from CRTech) adds features that allowed the mark-up of that geometry. These so-called mark-ups control how finite element (FE) meshes were generated and allowed the tagging of features (e.g. edges, solids, surfaces). These tags represent parameters that include: submodels, material properties, material orienters, optical properties, and radiation analysis groups. TD aliases were used for most tags to allow analysis to be performed with a variety of parameter values. Domain-tags were also attached to individual and groups of surfaces and solids to allow them to be used later within TD to populate objects like, for example, heaters and contactors. These tools allow the user to make changes to the geometry in SpaceClaim and then easily synchronize the mesh in TD without having to redefine these objects each time as one would if using TD Mesher.The use of SpaceClaim/TD Direct has helped simplify the process for importing existing geometries and in the creation of high fidelity FE meshes to represent complex parts. It has also saved time and effort in the subsequent analysis.

Power Systems↗
NASA NTRS2014

Mean Flow Augmented Acoustics in Rocket Systems

Oscillatory motion in solid rocket motors and liquid engines has long been a subject of concern. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process and gas dynamics. The customary approach to modeling acoustic waves inside a rocket chamber is to apply the classical inhomogeneous wave equation to the combustion gas. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while the acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The converging section of a rocket nozzle, where gradients in pressure, density, and velocity become large, is a notable region where this approach is not applicable. The expulsion of unsteady energy through the nozzle of a rocket is identified as the predominate source of acoustic damping for most rocket systems. An accurate model of the acoustic behavior within this region where acoustic modes are influenced by the presence of a steady mean flow is required for reliable stability predictions. Recently, an approach to address nozzle damping with mean flow effects was implemented by French [1]. This new approach extends the work originated by Sigman and Zinn [2] by solving the acoustic velocity potential equation (AVPE) formulated by perturbing the Euler equations [3]. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, (del squared)(psi) − (lambda/c)(exp 2)(psi) − M(dot)[M(dot)(del)(del(psi))] − 2(lambda(M/c) + (M(dot)del(M))(dot)del(psi)−2(lambda)(psi)[M(dot)del(1/c)]=0 (1) with M as the Mach vector, c as the speed of sound, and lambda as the complex eigenvalue. French apply the finite volume method to solve the steady flow field within the combustion chamber and nozzle with inviscid walls. The complex eigenvalues and eigenvector are determined with the use of the ARPACK eigensolver. The present study employs the COMSOL Multphysics framework to solve the coupled eigenvalue problem using the finite element approach. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluated the gas flow inside of a solid rocket motor using St. Robert's law modeling solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are used by the coefficient form of the mathematics module to determine the eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. Pertinent results from these analyses are the complex valued eigenvalue and eigenvectors. Comparisons are made to the French results to evaluate the modeling approach. A comparison of the French results with that of the present analysis is displayed in figures 1 and 2, respectively. The graphic shows the first tangential eigenvector's real (a) and imaginary (b) values.

Fischbach, Sean R.↗
NASA NTRS1993

Grand challenge scientific questions in coupled modeling

Most convective field experiments in the past (e.g., SESAME, CCOPE, CINDE) have attempted to resolve only the immediate scales of moist convection using network arrays that spanned two or three atmospheric scales at most. Furthermore, these scales have been defined more on practical considerations (cost, manpower, etc.) than on a clear understanding of their theoretical significance. Unfortunately, this has precluded a description of the entire life cycle of MCS's and their interaction with larger scale systems, the land surface, and trace species. Fortunately, the following factors now make it possible to attempt to simulate scale contraction processes from the synoptic scale down to the cloud scale, as well as interactions between complex meteorological, land surface, precipitation, chemical, and hydrologic processes with coupled, multiscale models: the availability of new technology to sample meteorological fields at high temporal and spatial resolution over a broad region made possible by the weather observing modernization program; increased computer power and improved numerical approaches to run limited area models with nonhydrostatic precipitation physics so as to explicitly resolve MCS (Mesoscale Convective System) processes; and four dimensional assimilation of non-conventional data to provide dynamically consistent datasets for diagnostic analysis of nonlinear scale-interactive dynamics. Several examples of scale-interactive processes which present grand challenges for coupled, multiscale modeling were presented.

Koch, Steven↗
NASA NTRS1980

Comparison of NASCAP modelling results with lumped circuit analysis

Engineering design tools that can be used to predict the development of absolute and differential potentials by realistic spacecraft under geomagnetic substorm conditions are described. Two types of analyses are in use: (1) the NASCAP code, which computes quasistatic charging of geometrically complex objects with multiple surface materials in three dimensions; (2) lumped element equivalent circuit models that are used for analyses of particular spacecraft. The equivalent circuit models require very little computation time, however, they cannot account for effects, such as the formation of potential barriers, that are inherently multidimensional. Steady state potentials of structure and insulation are compared with those resulting from the equivalent circuit model.

Stang, D. B.↗
NASA NTRSDate not supplied

Study of Graphite Ablation at Arc-Jet Conditions using Finite-Rate and Equilibrium Chemistry Models

Moving at hypersonic speeds through the atmosphere generates immense amount of heat that triggers thermo-chemical non-equilibrium effects in the flow approaching the vehicle and leads to surface chemical reactions that cause ablation and consume the material mass. This complex behavior and interaction of the aerothermal environment with a graphite surface is com- putationally modeled in the present work using a fully-coupled simulation between flow solver CHAMPS NBS-Cart and material response solver KATS-MR. In this study, we account for the thermo-chemical non-equilibrium effects occurring in the flow and use an 11-species air-carbon re- action model to simulate the ablation of the material. The reactions at the surface such oxidation, nitridation and recombination are modeled with a newly developed air-carbon reaction model. The coupled simulation is applied to study two experimental cases performed at IHF arc-jet facility at NASA Ames research center. The obtained results are compared against the measured data of surface recession, as well as surface and in-depth temperatures. Additionally, uncoupled sim- ulations, performed with equilibrium chemistry at the wall, point out the substantial differences between the coupled and uncoupled solutions, leading to higher deviation of the predicted temper- atures. Overall, we show excellent agreement between the coupled simulation predictions and the experimental data in all measured quantities.

EDL↗
NASA NTRS1978

Simulation gravity modeling to spacecraft-tracking data - Analysis and application

It is proposed that line-of-sight gravity measurements derived from spacecraft-tracking data can be used for quantitative subsurface density modeling by suitable orbit simulation procedures. Such an approach avoids complex dynamic reductions and is analogous to the modeling of conventional surface gravity data. This procedure utilizes the vector calculations of a given gravity model in a simplified trajectory integration program that simulates the line-of-sight gravity. Solutions from an orbit simulation inversion and a dynamic inversion on Doppler observables compare well (within 1% in mass and size), and the error sources in the simulation approximation are shown to be quite small. An application of this technique is made to lunar crater gravity anomalies by simulating the complete Bouguer correction to several large young lunar craters. It is shown that the craters all have negative Bouguer anomalies.

Phillips, R. J.↗
NASA NTRS1989

Automated thermal mapping techniques using chromatic image analysis

Thermal imaging techniques are introduced using a chromatic image analysis system and temperature sensitive coatings. These techniques are used for thermal mapping and surface heat transfer measurements on aerothermodynamic test models in hypersonic wind tunnels. Measurements are made on complex vehicle configurations in a timely manner and at minimal expense. The image analysis system uses separate wavelength filtered images to analyze surface spectral intensity data. The system was initially developed for quantitative surface temperature mapping using two-color thermographic phosphors but was found useful in interpreting phase change paint and liquid crystal data as well.

Buck, Gregory M.↗
NASA NTRS1989

Automated thermal mapping techniques using chromatic image analysis

Thermal imaging techniques are introduced using a chromatic image analysis system and temperature sensitive coatings. These techniques are used for thermal mapping and surface heat transfer measurements on aerothermodynamic test models in hypersonic wind tunnels. Measurements are made on complex vehicle configurations in a timely manner and at minimal expense. The image analysis system uses separate wavelength filtered images to analyze surface spectral intensity data. The system was initially developed for quantitative surface temperature mapping using two-color thermographic phosphors but was found useful in interpreting phase change paint and liquid crystal data as well.

Buck, Gregory M.↗
NASA NTRS2013

Composite Design and Manufacturing Development for Human Spacecrafts

The Structural Engineering Division at the NASA Johnson Space Center (JSC) has begun work on lightweight, multi‐functional pressurized composite structures. The first candidate vehicle for technology development is the Multi‐Mission Space Exploration Vehicle (MMSEV) cabin, known as the Gen 2B cabin, which has been built at JSC by the Robotics Division. Of the habitable MMSEV vehicle prototypes designed to date, this is the first one specifically analyzed and tested to hold internal pressure and the only one made out of composite materials. This design uses a laminate base with zoned reinforcement and external stringers, intended to demonstrate certain capabilities, and to prepare for the next cabin design, which will be a composite sandwich panel construction with multi‐functional capabilities. As part of this advanced development process, a number of new technologies were used to assist in the design and manufacturing process. One of the methods, new to JSC, was to build the Gen 2B cabin with Out of Autoclave technology to permit the creation of larger parts with fewer joints. An 8‐ply pre‐preg layup was constructed to form the cabin body. Prior to lay‐up, a design optimization software called FiberSIM was used to create each ply pattern. This software is integrated with Pro/Engineer to allow for customized draping of each fabric ply over the complex tool surface. Slits and darts are made in the software model to create an optimal design that maintains proper fiber placement and orientation. The flat pattern of each ply is then exported and sent to an automated cutting table where the patterns are cut out of graphite material. Additionally, to assist in lay‐up, a laser projection system (LPT) is used to project outlines of each ply directly onto the tool face for accurate fiber placement and ply build‐up. Finally, as part of the OoA process, a large oven was procured to post‐cure each part. After manufacturing complete, the cabin underwent modal and pressure testing (currently in progress at date of writing) and will go on to be outfitted and used for further ops usage.

Litteken, Douglas↗
NASA NTRS1999

Modeling Laser Altimeter Return Waveforms Over Complex Vegetation Using High-Resolution Elevation Data

The upcoming generation of laser altimeters record the interaction of emitted laser radiation with terrestrial surfaces in the form of a digitized waveform. We model these laser altimeter return waveforms as the sum of the reflections from individual surfaces within laser footprints, accounting for instrument-specific properties. We compare over 1000 modeled and recorded waveform pairs using the Pearson correlation. We show that we reliably synthesize the vertical structure information for vegetation canopies contained in a medium-large diameter laser footprint from a high-resolution elevation data set.

Blair, J. Bryan↗
DOE OSTI2021

Perspectives on Machine Learning-assisted Plasma Medicine: Towards Automated Plasma Treatment

Cold atmospheric plasmas (CAPs) have shown great promise for medical applications through their synergistic chemical, electrical, and thermal effects, which can induce therapeutic outcomes. However, safe and reproducible plasma treatment of complex biological surfaces poses a major hurdle to the widespread adoption of CAPs for medical applications. Predictive modeling of the mutual interactions between the plasma and biological surfaces and, thus, systematic approaches to quantify and predict plasma treatment outcomes remain largely elusive due to the lack of mechanistic understanding of plasma-surface interactions that can span across vastly different length-and time-scales. In addition, real-time sensing capabilities in biomedical CAP devices are often limited, which can be detrimental to plasma treatment due to the intrinsic plasma and surface variability during the treatment, as well as sensitivity to external perturbations. All of these challenges can make reproducible and effective plasma treatment of biological surfaces difficult to realize, which is further compounded by errors due to human operation of hand-held CAP devices. Machine learning and data-driven approaches can be particularly useful in addressing these challenges in three major ways: (i) data-driven modeling of hard-to-model plasma-surface interactions and plasma treatment outcomes; (ii) learning data analytics for plasma and surface diagnostics in real-time; and (iii) developing predictive controllers that enable reliable and effective CAP treatments. Furthermore, this paper discusses the promise of machine learning to accelerate plasma medicine research in these areas, toward machine learning-assisted and automated CAP treatment of complex biological surfaces.

60 APPLIED LIFE SCIENCES↗