Engineering Papers⌕ Search

SEARCH · Engineering Papers

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Satellite-Detected Ocean Ecosystem Response to Volcanic Eruption in the Subarctic Northeast Pacific Ocean

Volcanic eruptions in the Aleutian archipelago during the summer of 2008 deposited large quantities of iron-laden ash to the Subarctic North Pacific Ocean. The surface ocean ecosystem response has been previously characterized using limited in situ and autonomous field measurements and numerical modeling, but basin-scale satellite remote sensing has been limited to a simple description of chlorophyll variability. Here, we show that the ecosystem response is a complex combination of phytoplankton biomass and physiology that can be described with satellite ocean color diagnostics such as the chlorophyll to carbon biomass ratio (Chl:Cphyto) and chlorophyll fluorescence yield. Together, these quantities outline a more complete picture of ecological response spanning unique signals of iron stress (and relief from), photo acclimation, changes in phytoplankton growth rate, increases in biomass, and timescales of decay for these processes.

Ocean Ecosystem↗
NASA NTRS2022

Constraining Arctic Climate Projections of Wintertime Warming With Surface Turbulent Flux Observations and Representation of Surface-Atmosphere Coupling

The drivers of rapid Arctic climate change—record sea ice loss, warming SSTs, and a lengthening of the sea ice melt season—compel us to understand how this complex system operates and use this knowledge to enhance Arctic predictability. Changing energy flows sparked by sea ice decline, spotlight atmosphere-surface coupling processes as central to Arctic system function and its climate change response. Despite this, the representation of surface turbulent flux parameterizations in models has not kept pace with our understanding. The large uncertainty in Arctic climate change projections, the central role of atmosphere-surface coupling, and the large discrepancy in model representation of surface turbulent fluxes indicates that these processes may serve as useful observational constraints on projected Arctic climate change. This possibility requires an evaluation of surface turbulent fluxes and their sensitivity to controlling factors (surface-air temperature and moisture differences, sea ice, and winds) within contemporary climate models (here Coupled Model Intercomparison Project 6). The influence of individual controlling factors and their interactions is diagnosed using a multi-linear regression approach. This evaluation is done for four sea ice loss regimes, determined from observational sea ice loss trends, to control for the confounding effects of natural variability between models and observations. The comparisons between satellite- and model-derived surface turbulent fluxes illustrate that while models capture the general sensitivity of surface turbulent fluxes to declining sea ice and to surface-air gradients of temperature and moisture, substantial mean state biases exist. Specifically, the central Arctic is too weak of a heat sink to the winter atmosphere compared to observations, with implications to the simulated atmospheric circulation variability and thermodynamic profiles. Models were found to be about 50% more efficient at turning an air-sea temperature gradient anomaly into a sensible heat flux anomaly relative to observations. Further, the influence of sea ice concentration on the sensible heat flux is underestimated in models compared to observations. The opposite is found for the latent heat flux variability in models; where the latent heat flux is too sensitive to a sea ice concentration anomaly. Lastly, the results suggest that present-day trends in sea ice retreat regions may serve as suitable observational constraints of projected Arctic warming.

turbulent fluxes↗
NASA NTRS1991

RWF rotor-wake-fuselage code software reference guide

The RWF (Rotor-Wake-Fuselage) code was developed from first principles to compute the aerodynamics associated with the complex flow field of helicopter configurations. The code is sized for a single, multi-bladed main rotor and any configuration of non-lifting fuselage. The mathematical model for the RWF code is based on the integration of the momentum equations and Green's theorem. The unknowns in the problem are the strengths of prescribed singularity distributions on the boundaries of the flow. For the body (fuselage) a surface of constant strength source panels is used. For the rotor blades and rotor wake a surface of constant strength doublet panels is used. The mean camber line of the rotor airfoil is partitioned into surface panels. The no-flow boundary condition at the panel centroids is modified at each azimuthal step to account for rotor blade cyclic pitch variation. The geometry of the rotor wake is computers at each time step of the solution. The code produces rotor and fuselage surface pressures, as well as the complex geometry of the evolving rotor wake.

Berry, John D.↗
NASA NTRS2004

Scientific Objectives, Measurement Needs, and Challenges Motivating the PARAGON Aerosol Initiative

Aerosols are involved in a complex set of processes that operate across many spatial and temporal scales. Understanding these processes, and ensuring their accurate representation in models of transport, radiation transfer, and climate, requires knowledge of aerosol physical, chemical, and optical properties and the distributions of these properties in space and time. To derive aerosol climate forcing, aerosol optical and microphysical properties and their spatial and temporal distributions, and aerosol interactions with clouds, need to be understood. Such data are also required in conjunction with size-resolved chemical composition in order to evaluate chemical transport models and to distinguish natural and anthropogenic forcing. Other basic parameters needed for modeling the radiative influences of aerosols are surface reflectivity and three-dimensional cloud fields. This large suite of parameters mandates an integrated observing and modeling system of commensurate scope. The Progressive Aerosol Retrieval and Assimilation Global Observing Network (PARAGON) concept, designed to meet this requirement, is motivated by the need to understand climate system sensitivity to changes in atmospheric constituents, to reduce climate model uncertainties, and to analyze diverse collections of data pertaining to aerosols. This paper highlights several challenges resulting from the complexity of the problem. Approaches for dealing with them are offered in the set of companion papers.

optical depth↗
NASA NTRSDate not supplied

New Constraints on the Volatile Deposit in Mercury’s North Polar Crater, Prokofiev

There is strong evidence from multi-wavelength, multi-instrument observations and thermal models for the presence of ice and other volatiles in Mercury’s north polar permanently shadowed regions (PSRs)[1-6]. Ground-based radar measurements identified bright regions in some polar craters interpreted to be water ice on or near the surface[1]. The MESSENGER spacecraft found that some radar-bright deposits appeared bright in the optical and near-infrared while others appeared dark[4-6]. The bright regions were interpreted to be exposed surface ice while the dark regions were hypothesized to be complex organic volatile lag deposits overlaying buried ice[3]. One example of the former is in the 112 km diameter crater, Prokofiev, for which the Mercury Dual Imaging System (MDIS) acquired broadband images while in Sun shadow but illuminated by scattered light from the crater walls[5]. These images revealed a relatively high-albedo region spatially correlated with the PSR. Subsequent work[7] found a small offset between the boundary of the radar-bright region and that of the PSR predicted by an illumination model based on the polar digital elevation model (DEM)from the Mercury Laser Altimeter (MLA). Such an offset, if true, could have implications for the ice properties and its delivery and destruction mechanisms. However, the low resolution (1 km/pix) of the polar MLA DEM precluded a definitive conclusion. In the present work, we build new higher-resolution topographic, illumination, and thermal models of Prokofiev to place stronger constraints on its PSR and volatile deposits. We also study the MLA reflectance data in this crater to quantitatively estimate the ice abundance.

Michael K Barker↗
NASA NTRS1993

SPH modelling of energy partitioning during impacts on Venus

Impact cratering of the Venusian planetary surface by meteorites was investigated numerically using the Smoothed Particle Hydrodynamics (SPH) method. Venus presently has a dense atmosphere. Vigorous transfer of energy between impacting meteorites, the planetary surface, and the atmosphere is expected during impact events. The investigation concentrated on the effects of the atmosphere on energy partitioning and the flow of ejecta and gas. The SPH method is particularly suitable for studying complex motion, especially because of its ability to be extended to three dimensions. In our simulations, particles representing impactors and targets are initially set to a uniform density, and those of atmosphere are set to be in hydrostatic equilibrium. Target, impactor, and atmosphere are represented by 9800, 80, and 4200 particles, respectively. A Tillotson equation of state for granite is assumed for the target and impactor, and an ideal gas with constant specific heat ratio is used for the atmosphere. Two dimensional axisymmetric geometry was assumed and normal impacts of 10km diameter projectiles with velocities of 5, 10, 20, and 40 km/s, both with and without an atmosphere present were modeled.

Takata, T.↗
NASA NTRSDate not supplied

Machine-Learned Committor Functions for Reactive Molecular Dynamics

Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.

polymer simulations↗
NASA NTRS1975

Computer aided flexible envelope designs

Computer aided design methods are presented for the design and construction of strong, lightweight structures which require complex and precise geometric definition. The first, flexible structures, is a unique system of modeling folded plate structures and space frames. It is possible to continuously vary the geometry of a space frame to produce large, clear spans with curvature. The second method deals with developable surfaces, where both folding and bending are explored with the observed constraint of available building materials, and what minimal distortion result in maximum design capability. Alternative inexpensive fabrication techniques are being developed to achieve computer defined enclosures which are extremely lightweight and mathematically highly precise.

Resch, R. D.↗
NASA NTRS1989

Estimating biogeochemical fluxes across sagebrush-steppe landscapes with Thematic Mapper imagery

Thematic Mapper (TM) satellite data were coupled to an ecosystem simulation model to simulate variation in nitrogen mineralization over time and space in a sagebrush steppe. This system of data inputs and calculations provides estimates of ecosystem properties including rates of biogeochemical processes over extensive and complex landscapes, and under changing management and climatic conditions. The landscape surface was divided into three sagebrush ecosystem types plus one other class consisting of nonsagebrush vegetation. This classification presented a complex mosaic of ecosystem types that shifted markedly in composition from one end of the 933-sq km study area to the other. Annual N-mineralization rates ranged from 5 to 25 kg N/ha among the three sagebrush types. The most active type comprised 42 percent of the entire area but contributed 60 percent to the nitrogen mineralization throughout the landscape.

Reiners, W. A.↗
NASA NTRS1992

A discrete vortex model for predicting wing rock of slender wings

The fluid mechanism responsible for generating wing rock of slender sharp-edged delta wings was investigated using an unsteady discrete vortex model developed for that purpose, which is based on results of experimental investigations. Combined experimental and computational results indicate that wing rock is sustained by a lag in the position of the leading edge vortices normal to the surface. Results of comutations also indicate that certain complex aerodynamic problems may be governed primarily by unsteady inviscid phenomena.

Arena, Andrew S., Jr.↗
NASA NTRS1996

Time-Domain Impedance Boundary Conditions for Computational Aeroacoustics

It is an accepted practice in aeroacoustics to characterize the properties of an acoustically treated surface by a quantity known as impedance. Impedance is a complex quantity. As such, it is designed primarily for frequency-domain analysis. Time-domain boundary conditions that are the equivalent of the frequency-domain impedance boundary condition are proposed. Both single frequency and model broadband time-domain impedance boundary conditions are provided. It is shown that the proposed boundary conditions, together with the linearized Euler equations, form well-posed initial boundary value problems. Unlike ill-posed problems, they are free from spurious instabilities that would render time-marching computational solutions impossible.

Tam, Christopher K. W.↗
NASA NTRS2017

Development of an Unstructured, Three-Dimensional Material Response Design Tool

A preliminary verification and validation of a new material response model is presented. This model, Icarus, is intended to serve as a design tool for the thermal protection systems of re-entry vehicles. Currently, the capability of the model is limited to simulating the pyrolysis of a material as a result of the radiative and convective surface heating imposed on the material from the surrounding high enthalpy gas. Since the major focus behind the development of Icarus has been model extensibility, the hope is that additional physics can be quickly added. The extensibility is critical since thermal protection systems are becoming increasing complex, e.g. woven carbon polymers. Additionally, as a three-dimensional, unstructured, finite-volume model, Icarus is capable of modeling complex geometries as well as multi-dimensional physics, which have been shown to be important in some scenarios and are not captured by one-dimensional models. In this paper, the mathematical and numerical formulation is presented followed by a discussion of the software architecture and some preliminary verification and validation studies.

Material Response Model↗
NASA NTRS2017

Development of a Three-Dimensional, Unstructured Material Response Design Tool

A preliminary verification and validation of a new material response model is presented. This model, Icarus, is intended to serve as a design tool for the thermal protection systems of re-entry vehicles. Currently, the capability of the model is limited to simulating the pyrolysis of a material as a result of the radiative and convective surface heating imposed on the material from the surrounding high enthalpy gas. Since the major focus behind the development of Icarus has been model extensibility, the hope is that additional physics can be quickly added. This extensibility is critical since thermal protection systems are becoming increasing complex, e.g. woven carbon polymers. Additionally, as a three-dimensional, unstructured, finite-volume model, Icarus is capable of modeling complex geometries. In this paper, the mathematical and numerical formulation is presented followed by a discussion of the software architecture and some preliminary verification and validation studies.

Thermal Protection System↗
NASA NTRS2012

Application of CART3D to Complex Propulsion-Airframe Integration with Vehicle Sketch Pad

Vehicle Sketch Pad (VSP) is an easy-to-use modeler used to generate aircraft geometries for use in conceptual design and analysis. It has been used in the past to generate metageometries for aerodynamic analyses ranging from handbook methods to Navier-Stokes computational fluid dynamics (CFD). As desirable as it is to bring high order analyses, such as CFD, into the conceptual design process, this has been difficult and time consuming in practice due to the manual nature of both surface and volume grid generation. Over the last couple of years, VSP has had a major upgrade of its surface triangulation and export capability. This has enhanced its ability to work with Cart3D, an inviscid, three dimensional fluid flow toolset. The combination of VSP and Cart3D allows performing inviscid CFD on complex geometries with relatively high productivity. This paper will illustrate the use of VSP with Cart3D through an example case of a complex propulsion-airframe integration (PAI) of an over-wing nacelle (OWN) airliner configuration.

Hahn, Andrew S.↗
NASA NTRS1994

Planetary Topography Map Generation

The planetary community is particularly challenged in pursuing digital elevation model generation due to: (1) limited multi-look observations and (2) the dynamic nature of the observation which introduces complex geometeric relationships between observed body, spacecraft position, and sensor orientation.

surface topography↗
NASA NTRS1971

Mechanism of the oxidation of titanium disilicide.

Study of the oxidation of TiSi2 at temperatures of 300 to 1300 C. Wafers prepared using the techniques of powder metallurgy had densities of 95 to 98% of the theoretical value. On oxidation at temperatures up to 600 C, the polished wafers formed a protective, titania-silica glass. The rate data indicate a complex surface and diffusion-limited mechanism. Above 600 deg C, the oxide consisted of an amorphous SiO2 film with crystalline islands of TiO2 (rutile). From 1000 to 1300 C, parabolic kinetics with an activation energy of 21.3 kcal/mole were observed. These data are consistent with a model in which the rate-determining step is the diffusion of oxygen through the silica film with the simultaneous diffusion of titanium from the substrate to the islands of rutile growing on top of the amorphous silica.

Schwettmann, F. N.↗
NASA NTRS1978

Analysis of preflutter and postflutter characteristics with motion-matched aerodynamic forces

The development of the equations of dynamic equilibrium for a lifting surface from Lagrange's equation is reviewed and restated for general exponential growing and decaying oscillatory motion. Aerodynamic forces for this motion are obtained from the three-dimensional supersonic kernel function that is newly generalized to complex reduced frequencies. Illustrative calculations were made for two flutter models at supersonic Mach numbers. Preflutter and postflutter motion isodecrement curves were obtained. This type of analysis can be used to predict preflutter behavior during flutter testing and to predict postflutter behavior for use in the design of flutter suppression systems.

Cunningham, H. J.↗
NASA NTRS1983

Pair Production and Annihilation in Strong Magnetic Fields

Electromagnetic phenomena occurring in the presence of strong magnetic fields are currently of great interest in high-energy astrophysics. In particular, the process of pair production by single photons in the presence of fields of order 10 to the 12th power Gauss is of importance in cascade models of pulsar gamma ray emission, and may also become significant in theories of other radiation phenomena whose sources may be neutron stars (e.g., gamma ray bursts). In addition to pair production, the inverse process of pair annihilation is greatly affected by the presence of superstrong magnetic fields. The most significant departures from annihilation processes in free space are a reduction in the total rate for annihilation into two photons, a broadening of the familiar 511-keV line for annihilation at rest, and the possibility for annihilation into a single photon (which dominates the two-photon annihilation for B ( 10 the 13th power Gauss). The physics of these pair conversion processes, which is reviewed briefly, can become quite complex in the teragauss regime, and can involve calculations which are technically difficult to incorporate into models of emission mechanisms in neutron star magnetospheres. However, theoretical work, especially the case of pair annihilation, also suggests potential techniques for more direct measurements of field strengths near the stellar surface.

Daugherty, J. K.↗