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

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

The effect of closed boundary conditions on a stationary dynamo

One of two boundary conditions generally assumed in solutions of the dynamo equation is related to the disappearance of the azimuthal field at the boundary. Parker (1984) points out that for the realization of this condition the field must escape freely through the surface. Escape requires that the field be detached from the gas in which it is embedded. In the case of the sun, this can be accomplished only through reconnection in the tenuous gas above the visible surface. Parker concludes that the observed magnetic activity on the solar surface permits at most three percent of the emerging flux to escape. He arrives at the conclusion that, instead of B(phi) = 0, the partial derivative of B(phi) to r is equal to zero. The present investigation is concerned with the effect of changing the boundary condition according to Parker's conclusion. Implications for the solar convection zone are discussed.

Choudhuri, A. R.↗
NASA NTRS1974

Analysis of twisting stiffness for a multifiber composite layer

The twisting stiffness of a rectangular cross section consisting of a single row of solid circular cross-section fibers embedded in a matrix is analyzed. The problem is formulated as a Dirichlet torsion problem of a multielement region and solved by the boundary-point least-squares method. Numerical results for a single-fiber square cross section compare favorably with previous relaxation-method results. New numerical results for three and five-fiber composites suggest that the torsional rigidity of a multifiber composite can be approximated from the torsional rigidities of single and three-fiber models.

Bert, C. W.↗
NASA NTRS1989

Relaminarization of turbulent flow on a flat plate by localized surface heating

Relaminarization of a turbulent boundary layer in air on a flat plate is demonstrated experimentally using localized surface heating. Localized heating is achieved by electrically heating a wire embedded in a thermally insulated substrate (Space Shuttle Tile) on the surface. The stability of the flow downstream of the applied control point increases with decreasing stream temperature in the flow direction. The mean and perturbation velocity profiles without control show that the flow is turbulent. With control, these profiles sequentially change from intermittently turbulent to a fully laminar state. In the relaminarization stage, the turbulent energy is dissipated by molecular transport due to viscous and conductivity mechanisms. The new profile adjusts to a lower Reynolds number based on the momentum thickness than that of the previous turbulent state.

Maestrello, Lucio↗
NASA NTRS1997

Toward Understanding Wake Vortices and Atmospheric Turbulence Interactions Using Large-Eddy Simulation

The vortices produced by an aircraft in flight are a complex phenomena created from a 'sheet of vorticity' leaving the trailing edge of the aircraft surfaces. This sheet tends to roll-up into two counter-rotating vortices. After a few spans downstream of the aircraft, the roll-up process is complete and the vortex pair may be characterized in a simple manner for modeling purposes. Our research will focus on what happens to these post roll-up vortices in the vicinity of an airport terminal. As the aircraft wake vortices descend, they are transported by the air mass which they are embedded and are decayed by both internal and external processes. In the vicinity of the airport, these external influences are usually due to planetary boundary layer (PBL) turbulence. Using large-eddy simulation (LES), one may simulate a variety of PBL conditions. In the LES method, turbulence is generated in the PBL as a response to surface heat flux, horizontal pressure gradient, wind shear, and/or stratification, and may produce convective or unstably stratified, neutral, or stably stratified PBL's. Each of these PBL types can occur during a typical diurnal cycle of the PBL. Thus it is important to be able to characterize these conditions with the LES method. Once this turbulent environment has been generated, a vortex pair will be introduced and the interactions are observed. The objective is to be able to quantify the PBL turbulence vortex interaction and be able to draw some conclusions of vortex behavior from the various scale interactions. This research is ongoing, and we will focus on what has been accomplished to date and the future direction of this research. We will discuss the model being used, show results that validate its use in the PBL, and present a nested-grid method proposed to analyze the entire PBL and vortex pair simultaneously.

DeCroix, David↗
NASA NTRS2002

The Stress-strain Behavior of Polymer-Nanotube Composites from Molecular Dynamics Simulations

Stress-strain curves of polymer-carbon nanotube composites are derived from molecular dynamics simulations of a single-walled carbon nanotube embedded in polyethylene. A comparison is made between the response to mechanical loading of a composite with a long, continuous nanotube (replicated via periodic boundary conditions) and the response of a composite with a short, discontinuous nanotube. Both composites are mechanically loaded in the direction of and transverse to the NT axis. The long-nanotube composite shows an increase in the stiffness relative to the polymer and behaves anisotropically under the different loading conditions. The short-nanotube composite shows no enhancement relative to the polymer, most probably because of its low aspect ratio. The stress-strain curves are compared with rule-of-mixtures predictions.

Frankland, S. J. V.↗
NASA NTRS2001

Laminarization of Turbulent Boundary Layer on Flexible and Rigid Surfaces

An investigation of the control of turbulent boundary layer flow over flexible and rigid surfaces downstream of a concave-convex geometry has been made. The concave-convex curvature induces centrifugal forces and a pressure gradient on the growth of the turbulent boundary layer. The favorable gradient is not sufficient to overcome the unfavorable; thus, the net effect is a destabilizing, of the flow into Gortler instabilities. This study shows that control of the turbulent boundary layer and structural loading can be successfully achieved by using localized surface heating because the subsequent cooling and geometrical shaping downstream over a favorable pressure gradient is effective in laminarization of the turbulence. Wires embedded in a thermally insulated substrate provide surface heating. The laminarized velocity profile adjusts to a lower Reynolds number, and the structure responds to a lower loading. In the laminarization, the turbulent energy is dissipated by molecular transport by both viscous and conductivity mechanisms. Laminarization reduces spanwise vorticity because of the longitudinal cooling gradient of the sublayer profile. The results demonstrate that the curvature-induced mean pressure gradient enhances the receptivity of the flow to localized surface heating, a potentially viable mechanism to laminarize turbulent boundary layer flow; thus, the flow reduces the response of the flexible structure and the resultant sound radiation.

Maestrello, Lucio↗
NASA NTRS1979

Scattering and distortion of the unsteady motion on transversely sheared mean flows

It is shown that the pressure and velocity fluctuations of the unsteady motion on a transversely sheared mean flow can be expressed entirely in terms of the derivatives of two potential functions. One of these is a convected quantity that can be specified as a boundary condition and is related to a transverse component of the upstream velocity field. The other can be determined by solving an inhomogeneous wave equation whose source term is also a convected quantity that can be specified as a boundary condition in any given problem. The general theory is used to study the interaction of an unsteady flow with a semi-infinite plate embedded in a shear layer. The acoustic field produced by this interaction is calculated in the limits of low and high frequency. The results are compared with experimental one-third octave sound pressure level radiation patterns. The agreement is found to be excellent, especially in the low frequency range, where the mean-flow and convective effects are shown to have a strong influence on the directivity of the sound.

Goldstein, M. E.↗
NASA NTRS1990

Finite element analysis and optimization of composite structures

Linearly elastic fiber reinforced composite discs and laminates in plane stress with variable local orientation and concentration of one or two fiber fields embedded in the matrix material, are considered. The thicknesses and the domain of the discs or laminates are assumed to be given, together with prescribed boundary conditions and in-plane loading along the edge. The problem under study consists in determining throughout the structural domain the optimum orientations and concentrations of the fiber fields in such a way as to maximize the integral stiffness of the composite disc or laminate under the seven loading. Minimization of the integral stiffness can also be performed. The optimization is performed subject to a prescribed bound on the total cost or weight of the composite that for given unit cost factors or specific weights determines the amounts of fiber and matrix materials in the structure. Examples are presented.

Thomsen, Jan↗
NASA NTRS2012

An Experimental and Numerical Study of Roughness-Induced Instabilities in a Mach 3.5 Boundary Layer

Progress on a joint experimental and numerical study of laminar-to-turbulent transition induced by an isolated roughness element in a high-speed laminar boundary layer is reported in this paper. The numerical analysis suggests that transition is driven by the instability of high- and low-speed streaks embedded in the wake of the isolated roughness element. In addition, spatial stability analysis revealed that the wake flow supports multiple modes (even and odd) of convective instabilities that experience strong enough growth to cause transition. The experimental measurements, which included hot-wire and pitot-probe surveys, confirmed the existence of embedded high- and low-speed streaks in the roughness wake. Furthermore, the measurements indicate the presence of both even and odd modes of instability, although their relative magnitude depends on the specifics of the roughness geometry and flow conditions (e.g., the value of Re(sub kk) or k/delta. For the two test cases considered in the measurements (Re(sub kk) values of 462 and 319), the even mode and the odd mode were respectively dominant and appear to play a primary role in the transition process.

Kegerise, Michael A.↗
NASA NTRS2008

New Developments in the Embedded Statistical Coupling Method: Atomistic/Continuum Crack Propagation

A concurrent multiscale modeling methodology that embeds a molecular dynamics (MD) region within a finite element (FEM) domain has been enhanced. The concurrent MD-FEM coupling methodology uses statistical averaging of the deformation of the atomistic MD domain to provide interface displacement boundary conditions to the surrounding continuum FEM region, which, in turn, generates interface reaction forces that are applied as piecewise constant traction boundary conditions to the MD domain. The enhancement is based on the addition of molecular dynamics-based cohesive zone model (CZM) elements near the MD-FEM interface. The CZM elements are a continuum interpretation of the traction-displacement relationships taken from MD simulations using Cohesive Zone Volume Elements (CZVE). The addition of CZM elements to the concurrent MD-FEM analysis provides a consistent set of atomistically-based cohesive properties within the finite element region near the growing crack. Another set of CZVEs are then used to extract revised CZM relationships from the enhanced embedded statistical coupling method (ESCM) simulation of an edge crack under uniaxial loading.

Saether, E.↗
NASA NTRS1984

Embedded shear layer computations for increased drag reduction

One of the most promising methods of minimizing drag is the reduction of skin friction by injection of low momentum fluid into the near-wall region of turbulent boundary layer flows. This method could be made more effective by limiting the spread rate of the resulting mixing region. In order to achieve a better understanding of how this goal might be achieved, numerical investigations of the relevant fluid dynamic processes governing these regions have been conducted. A compact finite-difference algorithm has been applied to the complete form of the governing conservation equations for a two-dimensional laminar mixing layer. The ability of this computational approach to model successfully the formation and interaction of the large scale vortical structures which dominate such flow fields is verified in the present study. Parameters which affect the spread rate of the mixing region are also identified. In addition, the relative importance of viscous and momentum transport effects in the vortex interactions is determined.

Gatski, T. B.↗
NASA NTRS1979

On sound radiation from the trailing edge of an isolated airfoil in a uniform flow

An experimental investigation has been conducted to determine the physical process of the noise production from the trailing edge of an isolated two-dimensional airfoil embedded in a low turbulence uniform mean flow. The Reynolds number of the airfoil based on chord was greater than 1,000,000 and that the boundary layer was fully turbulent at the trailing edge. Smoke injection technique and spark shadowgraphy were used to study the structural features of the boundary layer. Two point joint statistical analyses were made on the surface pressure, the radiated sound and the relationship between the two quantities. Operating conditions included two free stream velocities and two angles of attack for both a naturally developed and an artificially tripped boundary layer. Flow visualizations revealed the existence of large scale coherent motions in the outer region of the boundary layer. The observed coherent motions had scales of the order of boundary layer thickness and a convection velocity near the free stream velocity. The production process of the airfoil trailing edge noise was determined to be the convection of the large scale coherent eddies over the trailing edge of the airfoil. The noise field so generated was found to be rather coherent and dipole-like.

Yu, J. C.↗
NASA NTRS1994

Igneous petrology of the new ureilites Nova 001 and Nullarbor 010

The Nova 001 (= Nuevo Mercurio (b)) and Nullarbor 010 meteorites are ureilites, both of which contain euhedral graphite crystals. The bulk of the meteorites are olivine (Fo79) and pyroxenes (Wo9En73Fs18, Wo3En77Fs20), with a few percent graphite and minor amounts of troilite, Ni-Fe metal, and possibly diamond. The rims of olivine grains are reduced (to Fo91) and contain abundant blebs of Fe metal. Silicate mineral grains are equant, anhedral, up to 2 mm across, and lack obvious preferred orientations. Euhedral graphite crystals (to 1 mm x 0.3 mm) are present at silicate grain boundaries, along boundaries and protruding into the silicates, and entirely within silicate mineral grains. Graphite euhedra are also present as radiating clusters and groups of parallel plates grains embedded in olivine; no other ureilite has comparable graphite textures. Minute lumps within graphite grains are possible diamond, inferred to be a result of shock. Other shock effects are limited to undulatory extinction and fracturing. Both ureilites have been weathered significantly. Considering their similar mineralogies, identical mineral compositions, and identical unusual textures, Nova 001 and Nullarbor 010 are probably paired. Based on olivine compositions, Nova 001 and Nullarbor 010 are in Group 1 (FeO-rich) of Berkley et al. (1980). Silicate mineral compositions are consistent with those of others known ureilites. The presence of euhedral graphite crystals within the silicate minerals is consistent with an igneous origin, and suggests that large proportions of silicate magma were present locally and crystallized in situ.

Triman, Allan H.↗
NASA NTRS2007

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Saether, E.↗
NASA NTRS2008

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Yamakov, Vesselin↗
NASA NTRS1997

Geotail Measurements Compared with the Motions of High-Latitude Auroral Boundaries during Two Substorms

Geotail plasma and field measurements at -95 R(sub E) are compared with extensive ground-based, near-Earth, and geosynchronous measurements to study relationships between auroral activity and magnetotail dynamics during the expansion phases of two substorms. The studied intervals are representative of intermittent, moderate activity. The behavior of the aurora and the observed effects at Geotail for both events are harmonized by the concept of the activation of near-Earth X lines (NEXL) after substorm onsets, with subsequent discharges of one or more plasmoids down the magnetotail. The plasmoids must be viewed as three-dimensional structures which are spatially limited in the dawn-dusk direction. Also, reconnection at the NEXL must proceed at variable rates on closed magnetic field lines for significant times before beginning to reconnect lobe flux. This implies that the plasma sheet in the near-Earth magnetotail is relatively thick in comparison with an embedded current sheet and that both the NEXL and distant X line can be active simultaneously. Until reconnection at the NEXL engages lobe flux, the distant X line maintains control of the poleward auroral boundary. If the NEXL remains active after reaching the lobe, the auroral boundary can move poleward explosively. The dynamics of high-latitude aurora in the midnight region thus provides a means for monitoring these processes and indicating when significant lobe flux reconnects at the NEXL.

Maynard, N. C.↗
DOE OSTI2025

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25-100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, such as multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Revealing the corrosion mechanism of an Al 0.1 CoCrFeNi high entropy alloy in high temperature carbon dioxide environment

The corrosion behavior of an Al 0.1 CoCrFeNi HEA in high temperature CO 2 at 850 °C for different exposure periods was investigated using different characterization methods. Further, weight gain increased with extended exposure periods, yet it remained lower than most conventional alloys. A double-layer oxide film consisting of Cr 2 O 3 and Al 2 O 3 formed after 100 and 500 h of exposure, while a single layer of Cr 2 O 3 developed after 1000 h of exposure. CoCrFeNi particles with an FCC structure were embedded in the oxide films irrespective of the exposure periods. Moreover, a transition zone containing numerous striped-like Al 2 O 3 oxides along the grain boundaries was developed underneath the oxide films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗