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NASA NTRS1999

Coupling of Carbon Nanotubes to Metallic Contacts

The modeling of carbon nanotube-metal contacts is important from both basic and applied view points. For many applications, it is important to design contacts such that the transmission is dictated by intrinsic properties of the nanotube rather than by details of the contact. In this paper, we calculate the electron transmission probability from a nanotube to a free electron metal, which is side-contacted. If the metal-nanotube interface is sufficiently ordered, we find that k-vector conservation plays an important role in determining the coupling, with the physics depending on the area of contact, tube diameter, and chirality. The main results of this paper are: (1) conductance scales with contact length, a phenomena that has been observed in experiments and (2) in the case of uniform coupling between metal and nanotube, the threshold value of the metal Fermi wave vector (below which coupling is insignificant) depends on chirality. Disorder and small phase coherence length relax the need for k-vector conservation, thereby making the coupling stronger.

Anantram, M. P.↗
NASA NTRS2000

Effects of Inert Dust Clouds on the Extinction of Strained, Laminar Flames at Normal and Micro Gravity

A combined experimental and detailed numerical study was conducted on the interaction between chemically inert solid particles and strained, atmospheric methane/air and propane/air laminar flames, both premixed and non-premixed. Experimentally, the opposed jet configuration was used with the addition of a particle seeder capable of operating in conditions of varying gravity. The particle seeding system was calibrated under both normal and micro gravity and a noticeable gravitational effect was observed. Flame extinction experiments were conducted at normal gravity by seeding inert particles at various number densities and sizes into the reacting gas phase. Experimental data were taken for 20 and 37 (mu) nickel alloy and 25 and 60 (mu) aluminum oxide particles. The experiments were simulated by solving along the stagnation streamline the conservation equations of mass, momentum, energy, and species conservation for both phases, with detailed descriptions of chemical kinetics, molecular transport, and thermal radiation. The experimental data were compared with numerical simulations, and insight was provided into the effects on extinction of the fuel type, equivalence ratio, flame configuration, strain rate. particle type. particle size. particle mass, delivery rate. the orientation of particle injection with respect to the flame and gravity. It was found that for the same injected solid mass, larger particles can result in more effective flame cooling compared to smaller particles, despite the fact that equivalent masses of the larger particles have smaller total surface area to volume ratio. This counter-intuitive finding resulted from the fact that the heat exchange between the two phases is controlled by the synergistic effect of the total contact area and the temperature difference between the two phases. Results also demonstrate that meaningful scaling of interactions between the two phases may not be possible due to the complexity of the couplings between the dynamic and thermal parameters of the problem.

Andac, M. Gurhan↗
NASA NTRS1999

Dynamics and Structure of Dusty Reacting Flows: Inert Particles in Strained, Laminar, Premixed Flames

A detailed numerical study was conducted on the dynamics and thermal response of inert spherical particles in strained, laminar, premixed hydrogen/air flames. The modeling included the solution of the steady conservation equations for both the gas and particle phases along and around the stagnation streamline of an opposed-jet configuration, and the use of detailed descriptions of chemical kinetics and molecular transport. For the gas phase, the equations of mass, momentum, energy, and species are considered, while for the particle phase, the model is based on conservation equations of the particle momentum balance in the axial and radial direction, the particle number density, and the particle thermal energy equation. The particle momentum equation includes the forces as induced by drag, thermophoresis, and gravity. The particle thermal energy equation includes the convective/conductive heat exchange between the two phases, as well as radiation emission and absorption by the particle. A one-point continuation method is also included in the code that allows for the description of turning points, typical of ignition and extinction behavior. As expected, results showed that the particle velocity can be substantially different than the gas phase velocity, especially in the presence of large temperature gradients and large strain rates. Large particles were also found to cross the gas stagnation plane, stagnate, and eventually reverse as a result of the opposing gas phase velocity. It was also shown that the particle number density varies substantially throughout the flowfield, as a result of the straining of the flow and the thermal expansion. Finally, for increased values of the particle number density, substantial flame cooling to extinction states and modification of the gas phase fluid mechanics were observed. As also expected, the effect of gravity was shown to be important for low convective velocities and heavy particles. Under such conditions, simulations indicate that the magnitude and direction of the gravitational force can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature.

Egolfopoulos, Fokion N.↗
NASA NTRS2001

Treatment and Analysis of a Paint Chip from "Water Lilies": A Fire Damaged Monet

A museum fire in 1958 severely damaged a Monet 'Water Lilies' (1916-1926) painting that was on display. The surface of the painting is very dark with areas of blistering and charring. Over the years, traditional techniques have been found to be ineffective at removal of the soot and char from the surface. The painting, which is now in the care of the New York University (NYU) Conservation Center of the Institute of Fine Arts, was the subject of a study to determine if atomic oxygen treatment could remove the soot and char without damaging the fragile painting underneath. For test purposes, a small chip of paint was removed from the edge of the painting by a conservator at NYU and supplied to NASA Glenn Research Center for atomic oxygen treatment and analysis. The diffuse spectral reflectance, at three locations on the paint chip, was monitored at intervals during the atomic oxygen treatment process. Photo documentation of the chip during treatment was also performed. The color contrast was calculated from the spectral reflectance data as a function of treatment duration. Results of the testing indicated that the contrast improved as a result of the treatment, and the differentiation of colors on the surface was significantly improved. Soot and char could be removed without visibly affecting the gross surface features such as impasto areas. These results indicate the feasibility for the treatment of the 'Water Lilies' painting.

Miller, Sharon K. R.↗
NASA NTRS2002

High-Efficiency High-Resolution Global Model Developments at the NASA Goddard Data Assimilation Office

The Data Assimilation Office (DAO) has been developing a new generation of ultra-high resolution General Circulation Model (GCM) that is suitable for 4-D data assimilation, numerical weather predictions, and climate simulations. These three applications have conflicting requirements. For 4-D data assimilation and weather predictions, it is highly desirable to run the model at the highest possible spatial resolution (e.g., 55 km or finer) so as to be able to resolve and predict socially and economically important weather phenomena such as tropical cyclones, hurricanes, and severe winter storms. For climate change applications, the model simulations need to be carried out for decades, if not centuries. To reduce uncertainty in climate change assessments, the next generation model would also need to be run at a fine enough spatial resolution that can at least marginally simulate the effects of intense tropical cyclones. Scientific problems (e.g., parameterization of subgrid scale moist processes) aside, all three areas of application require the model's computational performance to be dramatically improved as compared to the previous generation. In this talk, I will present the current and future developments of the "finite-volume dynamical core" at the Data Assimilation Office. This dynamical core applies modem monotonicity preserving algorithms and is genuinely conservative by construction, not by an ad hoc fixer. The "discretization" of the conservation laws is purely local, which is clearly advantageous for resolving sharp gradient flow features. In addition, the local nature of the finite-volume discretization also has a significant advantage on distributed memory parallel computers. Together with a unique vertically Lagrangian control volume discretization that essentially reduces the dimension of the computational problem from three to two, the finite-volume dynamical core is very efficient, particularly at high resolutions. I will also present the computational design of the dynamical core using a hybrid distributed-shared memory programming paradigm that is portable to virtually any of today's high-end parallel super-computing clusters.

Lin, Shian-Jiann↗
NASA NTRS2002

High-Efficiency High-Resolution Global Model Developments at the NASA Goddard Data Assimilation Office

The Data Assimilation Office (DAO) has been developing a new generation of ultra-high resolution General Circulation Model (GCM) that is suitable for 4-D data assimilation, numerical weather predictions, and climate simulations. These three applications have conflicting requirements. For 4-D data assimilation and weather predictions, it is highly desirable to run the model at the highest possible spatial resolution (e.g., 55 kin or finer) so as to be able to resolve and predict socially and economically important weather phenomena such as tropical cyclones, hurricanes, and severe winter storms. For climate change applications, the model simulations need to be carried out for decades, if not centuries. To reduce uncertainty in climate change assessments, the next generation model would also need to be run at a fine enough spatial resolution that can at least marginally simulate the effects of intense tropical cyclones. Scientific problems (e.g., parameterization of subgrid scale moist processes) aside, all three areas of application require the model's computational performance to be dramatically improved as compared to the previous generation. In this talk, I will present the current and future developments of the "finite-volume dynamical core" at the Data Assimilation Office. This dynamical core applies modem monotonicity preserving algorithms and is genuinely conservative by construction, not by an ad hoc fixer. The "discretization" of the conservation laws is purely local, which is clearly advantageous for resolving sharp gradient flow features. In addition, the local nature of the finite-volume discretization also has a significant advantage on distributed memory parallel computers. Together with a unique vertically Lagrangian control volume discretization that essentially reduces the dimension of the computational problem from three to two, the finite-volume dynamical core is very efficient, particularly at high resolutions. I will also present the computational design of the dynamical core using a hybrid distributed- shared memory programming paradigm that is portable to virtually any of today's high-end parallel super-computing clusters.

Lin, Shian-Jiann↗
NASA NTRS1989

Art Preservation

A new class of polyimides, synthesized by Langley Research Center, has been evaluated by the Getty Conservation Institute's Materials Science Group for possible art conservation applications. Polyimides are noted for resistance to high temperature, wear and radiation. They are thermally stable and soluble in some common solvents. After testing under simulated exposures for changes in color, permeability and flexibility, one coating, ODPA-3, 3-ODA may be used to protect bronze statues from corrosion. A test on stained glass windows was unsuccessful.

Source record↗
NASA NTRS2000

Topographic Effects on Geologic Mass Movements

This report describes research directed toward understanding the response of volcanic lahars and lava flows to changes in the topography along the path of the flow. We have used a variety of steady-state and time-dependent models of lahars and lava flows to calculate the changes in flow dynamics due to variable topography. These models are based on first-order partial differential equations for the local conservation of volume. A global volume conservation requirement is also imposed to determine the extent of the flow as a function of time and the advance rate. Simulated DEMs have been used in this report.

Baloga, Stephen M.↗
NASA NTRS2002

Computing Axisymmetric Jet Screech Tones Using Unstructured Grids

The space-time conservation element and solution element (CE/SE) method is used to solve the conservation law form of the compressible axisymmetric Navier-Stokes equations. The equations are time marched to predict the unsteady flow and the near-field screech tone noise issuing from an underexpanded circular jet. The CE/SE method uses an unstructured grid based data structure. The unstructured grids for these calculations are generated based on the method of Delaunay triangulation. The purpose of this paper is to show that an acoustics solution with a feedback loop can be obtained using truly unstructured grid technology. Numerical results are presented for two different nozzle geometries. The first is considered to have a thin nozzle lip and the second has a thick nozzle lip. Comparisons with available experimental data are shown for flows corresponding to several different jet Mach numbers. Generally good agreement is obtained in terms of flow physics, screech tone frequency, and sound pressure level.

Jorgenson, Philip C. E.↗
NASA NTRS2002

A New Low Dissipative High Order Schemes for MHD Equations

The goal of this talk is to extend our recently developed highly parallelizable nonlinear stable high order schemes for complex multiscale hydrodynamic applications to the viscous MHD equations. These schemes employed multiresolution wavelets as adaptive numerical dissipation controls to limit the amount and to aid the selection and/or blending of the appropriate types of dissipation to be used. The new scheme is formulated for both the conservative and non-conservative form of the MHD equations in curvilinear grids.

Yee, H. C.↗
NASA NTRS2002

Additive Runge-Kutta Schemes for Convection-Diffusion-Reaction Equations

Additive Runge-Kutta (ARK) methods are investigated for application to the spatially discretized one- dimensional convection-diffusion-reaction (CDR) equations. Accuracy, stability, conservation, and dense-output are first considered for the general case when N different Runge-Kutta methods are grouped into a single composite method. Then, implicit-explicit, (N = 2), additive Runge-Kutta (ARK(sub 2)) methods from third- to fifth-order are presented that allow for integration of stiff terms by an L-stable, stiffly-accurate explicit, singly diagonally implicit Runge-Kutta (ESDIRK) method while the nonstiff terms are integrated with a traditional explicit Runge-Kutta method (ERK). Coupling error terms of the partitioned method are of equal order to those of the elemental methods. Derived ARK(sub 2) methods have vanishing stability functions for very large values of the stiff scaled eigenvalue, z['] yields -infinity, and retain high stability efficiency in the absence of stiffness, z['] yield 0. Extrapolation-type stage- value predictors are provided based on dense-output formulae. Optimized methods minimize both leading order ARK(sub 2) error terms and Butcher coefficient magnitudes as well as maximize conservation properties. Numerical tests of the new schemes on a CDR problem show negligible stiffness leakage and near classical order convergence rates. However, tests on three simple singular-perturbation problems reveal generally predictable order reduction. Error control is best managed with a PID-controller. While results for the fifth-order method are disappointing, both the new third- and fourth-order methods are at least as efficient as existing ARK(sub 2) methods.

Kennedy, Christopher A.↗
NASA NTRS2003

A Vertically Lagrangian Finite-Volume Dynamical Core for Global Models

A finite-volume dynamical core with a terrain-following Lagrangian control-volume discretization is described. The vertically Lagrangian discretization reduces the dimensionality of the physical problem from three to two with the resulting dynamical system closely resembling that of the shallow water dynamical system. The 2D horizontal-to-Lagrangian-surface transport and dynamical processes are then discretized using the genuinely conservative flux-form semi-Lagrangian algorithm. Time marching is split- explicit, with large-time-step for scalar transport, and small fractional time step for the Lagrangian dynamics, which permits the accurate propagation of fast waves. A mass, momentum, and total energy conserving algorithm is developed for mapping the state variables periodically from the floating Lagrangian control-volume to an Eulerian terrain-following coordinate for dealing with physical parameterizations and to prevent severe distortion of the Lagrangian surfaces. Deterministic baroclinic wave growth tests and long-term integrations using the Held-Suarez forcing are presented. Impact of the monotonicity constraint is discussed.

Lin, Shian-Jiann↗
NASA NTRS2003

Towards a Probabilistic Preliminary Design Criterion for Buckling Critical Composite Shells

A probability-based analysis method for predicting buckling loads of compression-loaded laminated-composite shells is presented, and its potential as a basis for a new shell-stability design criterion is demonstrated and discussed. In particular, a database containing information about specimen geometry, material properties, and measured initial geometric imperfections for a selected group of laminated-composite cylindrical shells is used to calculate new buckling-load "knockdown factors". These knockdown factors are shown to be substantially improved, and hence much less conservative than the corresponding deterministic knockdown factors that are presently used by industry. The probability integral associated with the analysis is evaluated by using two methods; that is, by using the exact Monte Carlo method and by using an approximate First-Order Second- Moment method. A comparison of the results from these two methods indicates that the First-Order Second-Moment method yields results that are conservative for the shells considered. Furthermore, the results show that the improved, reliability-based knockdown factor presented always yields a safe estimate of the buckling load for the shells examined.

Arbocz, Johann↗
NASA NTRS2003

Robust and Simple Non-Reflecting Boundary Conditions for the Euler Equations: A New Approach Based on the Space-Time CE/SE Method

This paper reports on a significant advance in the area of non-reflecting boundary conditions (NRBCs) for unsteady flow computations. As a part of the development of the space-time conservation element and solution element (CE/SE) method, sets of NRBCs for 1D Euler problems are developed without using any characteristics-based techniques. These conditions are much simpler than those commonly reported in the literature, yet so robust that they are applicable to subsonic, transonic and supersonic flows even in the presence of discontinuities. In addition, the straightforward multidimensional extensions of the present 1D NRBCs have been shown numerically to be equally simple and robust. The paper details the theoretical underpinning of these NRBCs, and explains their unique robustness and accuracy in terms of the conservation of space-time fluxes. Some numerical results for an extended Sod's shock-tube problem, illustrating the effectiveness of the present NRBCs are included, together with an associated simple Fortran computer program. As a preliminary to the present development, a review of the basic CE/SE schemes is also included.

Chang, Sin-Chung↗
NASA NTRS2003

The Effect of the Density Ratio on the Nonlinear Dynamics of the Unstable Fluid Interface

Here we report multiple harmonic theoretical solutions for a complete system of conservation laws, which describe the large-scale coherent dynamics in RTI and RMI for fluids with a finite density ratio in the general three-dimensional case. The analysis yields new properties of the bubble front dynamics. In either RTI or RMI, the obtained dependencies of the bubble velocity and curvature on the density ratio differ qualitatively and quantitatively from those suggested by the models of Sharp (1984), Oron et al. (2001), and Goncharov (2002). We show explicitly that these models violate the conservation laws. For the first time, our theory reveals an important qualitative distinction between the dynamics of the RT and RM bubbles.

Abarzhi, S. I.↗
NASA NTRS2003

Computing Axisymmetric Jet Screech Tones using Unstructured Grids

The purpose of this paper is to show that computations with an aeroacoustic feedback loop, the jet screech noise, can be obtained using truly unstructured grid technology. Numerical results are presented for a nozzle with two different lip thicknesses which will be referred to in this paper as a thin and a thick lip nozzle respectively. The space-time conservation element and solution element (CE/SE) method is used to solve the conservation laws of the compressible axisymmetric Navier-Stokes equations. The equations are time marched to predict the unsteady flow and the near-field screech tone noise issuing from an underexpanded circular jet. The CE/SE method uses an unstructured grid based data structure. The unstructured grids for these calculations are generated based on the method of Delaunay triangulation. Comparisons of numerical results with available experimental data are shown for flows corresponding to several different jet Mach numbers. Generally good agreement is obtained in terms of flow physics, screech tone frequency, and sound pressure level.

Jorgenson, Philip C. E.↗
NASA NTRS2003

A Reduced-Order Model for Efficient Simulation of Synthetic Jet Actuators

A new reduced-order model of multidimensional synthetic jet actuators that combines the accuracy and conservation properties of full numerical simulation methods with the efficiency of simplified zero-order models is proposed. The multidimensional actuator is simulated by solving the time-dependent compressible quasi-1-D Euler equations, while the diaphragm is modeled as a moving boundary. The governing equations are approximated with a fourth-order finite difference scheme on a moving mesh such that one of the mesh boundaries coincides with the diaphragm. The reduced-order model of the actuator has several advantages. In contrast to the 3-D models, this approach provides conservation of mass, momentum, and energy. Furthermore, the new method is computationally much more efficient than the multidimensional Navier-Stokes simulation of the actuator cavity flow, while providing practically the same accuracy in the exterior flowfield. The most distinctive feature of the present model is its ability to predict the resonance characteristics of synthetic jet actuators; this is not practical when using the 3-D models because of the computational cost involved. Numerical results demonstrating the accuracy of the new reduced-order model and its limitations are presented.

Yamaleev, Nail K.↗
NASA NTRS2003

Combustion Of Moving Droplets And Of Droplets Suspended Within A Convective Environment: Transient Numerical Results

The problem considered is that of a single-component liquid fuel (n-heptane) droplet undergoing evaporation and combustion in a hot, convective, low pressure, zero-gravity environment of infinite expanse. For a moving droplet, the relative velocity (U(sub infinity)) between the droplet and freestream is subject to change due to the influence of the drag force on the droplet. For a suspended droplet, the relative velocity is kept constant. The governing equations for the gas-phase and the liquid-phase consist of the unsteady, axisymmetric equations of mass, momentum, species (gas-phase only) and energy conservation. Interfacial conservation equations are employed to couple the two phases. Variable properties are used in the gas- and liquid-phase. Multicomponent diffusion in the gas-phase is accounted for by solving the Stefan-Maxwell equations for the species diffusion velocities. A one-step overall reaction is used to model the combustion. The governing equations are discretized using the finite volume and SIMPLEC methods. A colocated grid is adopted. Hyperbolic tangent stretching functions are used to concentrate grid points near the fore and aft lines of symmetry and at the droplet surface in both the gas- and liquid-phase. The discretization equations are solved using the ADI method with the TDMA used on each line of the two alternating directions. Iterations are performed within each time-step until convergence is achieved. The grid spacing, size of the computational domain and time-step were tested to ensure that all solutions are independent of these parameters. A detailed discussion of the numerical model is given.

Gogos, George↗