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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

On the role of long range interactions for the adsorption of sexithiophene on Ag(110) surface

The adsorption characteristics of the sexithiophene (6T) molecule on Ag(110) are studied using density functional theory with the inclusion of van der Waals (vdW) interactions. The stable adsorption configurations on 6T on Ag(110) as well as the nature of bonding the Ag substrate are evaluated. We also assess the performance of the vdW-DF method in describing the adsorption, energetics, heights, as well as the interface characteristics with the Ag(110) surface. We find two lowest adsorption energy configurations, at which the 6T molecule aligns with its molecular long axis parallel and perpendicular to the [001] direction, to be energetically close to each other, suggesting that they may coexist. Our findings indicate a significant increase in the 6T adsorption energies upon the inclusion of vdW interactions with the highest increase obtained using the opt-type functionals, in particular with the optB86b-vdW functional. The revPBE-vdW and rPW86-vdW2 functionals lead to less enhancement in adsorption energies that is attributed to the strong repulsive nature of these functionals, in agreement with earlier predictions. Upon adsorption of the 6T molecule, the changes in the atomic and electronic structures of the 6T molecule and Ag surface are found to be negligible; there is no charge transfer, and no interface state is observed. The work function is reduced upon adsorption with the largest change is ∼0.6 eV obtained using the optB88-vdW functional. The results are in good agreement with the available experimental observations of the adsorption configurations and the work function changes. Based on our results, we conclude that the nature of bonding for 6T on Ag(110) can be classified as strong physisorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

TIGER: A user-friendly interactive grid generation system for complicated turbomachinery and axis-symmetric configurations

The issue of time efficiency in grid generation is addressed by developing a user friendly graphical interface for interactive/automatic construction of structured grids around complex turbomachinery/axis-symmetric configurations. The accuracy of geometry modeling and its fidelity is accomplished by adapting the nonuniform rational b-spline (NURBS) representation. A customized interactive grid generation code, TIGER, has been developed to facilitate the grid generation process for complicated internal, external, and internal-external turbomachinery fields simulations. The FORMS Library is utilized to build user-friendly graphical interface. The algorithm allows a user to redistribute grid points interactively on curves/surfaces using NURBS formulation with accurate geometric definition. TIGER's features include multiblock, multiduct/shroud, multiblade row, uneven blade count, and patched/overlapping block interfaces. It has been applied to generate grids for various complicated turbomachinery geometries, as well as rocket and missile configurations.

Shih, Ming H.↗
NASA NTRS1977

Interim noise correlation for some OTW configurations using external jet-flow deflectors

Jet/flap interaction acoustic data obtained statically from a model-scale study of STOL-OTW configurations with a conical nozzle mounted above the wing and using various external deflectors to provide jet-flow attachment are correlated. The acoustic data are correlated in terms that consider the jet/flap interaction noise contributions associated primarily with fluctuating lift, trailing edge, and configuration wake noise sources. Variables considered include deflector geometry, flap setting and wing size. Finally, the configuration overall noise levels are related to static lift and thrust measurements in order to provide insight into possible acoustic/aerodynamic performance trade-off benefits.

Von Glahn, U.↗
NASA NTRS1985

Aerodynamic interaction between vortical wakes and the viscous flow about a circular cylinder

In the design analysis of conventional aircraft configurations, the prediction of the strong interaction between vortical wakes and the viscous flow field about bodies is of considerable importance. Interactions between vortical wakes and aircraft components are even more common on rotorcraft and configurations with lifting surfaces forward of the wing. An accurate analysis of the vortex-wake interaction with aircraft components is needed for the optimization of the payload and the reduction of vibratory loads. However, the three-dimensional flow field beneath the rotor disk and the interaction of the rotor wake with solid bodies in the flow field are highly complex. The present paper has the objective to provide a basis for the considered interactions by studying a simpler problem. This problem involves the two-dimensional interaction of external wakes with the viscous flow about a circular cylinder.

Stremel, P. M.↗
NASA NTRS1993

Minimum-fuel trajectories for hypersonic vehicles with aeropropulsive interactions

The class of hypersonic vehicle configurations with single stage-to-orbit (SSTO) capability reflect highly integrated airframe and propulsion systems. These designs are also known to exhibit a large degree of interaction between the airframe and engine dynamics. Consequently, even simplified hypersonic models are characterized by tightly coupled nonlinear equations of motion. It is to be determined how these features, along with the stringent mission requirements placed on the vehicle, affect its trajectory performance. In this paper, a trajectory optimization problem for a generic hypersonic lifting body will be formulated, a solution method outlined, and results presented. The solution sought is a minimum-fuel trajectorv for orbit injection. It is also desired to study the effect of heating constraints on the vehicle.

Lovell, T. A.↗
NASA NTRS1986

The PROUST radar: First results

Two campaigns took place in 1984 with the PROUST Radar operating in a bistatic mode, the transmitting antenna pointing at the vertical and the receiving one, 1 deg. off the vertical axis. The antenna beam intersection covers an altitude range between 3 and 9 km. The first of these campaigns are analyzed. The results analyzed show the capability of the PROUST Radar to measure the turbulent parameters and study the turbulence-wave interaction. In its present configuration (bistatic mode and 600 m vertical resolution), it has been necessary to make some assumptions that are known not to be truly fulfilled: homogeneous turbulence and constant vertical wind intensity over a 600-m thickness. It is clear that a more detailed study of the interaction between wave and turbulence will be possible with the next version of PROUST Radar (30-m altitude resolution and monostatic mode) that will soon be achieved.

Bertin, F.↗
NASA NTRS2024

Data-Driven Method for Nonlinear Modal Interaction Identification in Fighter Aircraft

The purpose of this paper is to report a new data-driven analysis methodology for identifying nonlinear modal interactions and its application to aeroelastic wind-tunnel data from a generic fighter configuration, which reveals global modal interactions in this system caused by multiple resonance capture events initiated by local nonlinearities. It is shown that during supersonic testing at the Transonic Dynamics Tunnel, vibro-impacts at the embedded external fuel tank shakers on the inboard underwing stations of the generic fighter introduce strong nonlinearity that gives rise to nonlinear modal interactions. Specifically, time–frequency analysis of the acceleration data demonstrates that 6∶5 and 7∶6 transient resonance captures occur across the aircraft exclusively during this vibro-impact forcing window. Further analysis suggests that these resonance captures are dependent on Mach number. These results show experimentally that local vibro-impacts can cause global nonlinear effects in an aeroelastic system and that these effects can be identified using the new methodology herein. The data-driven analysis scheme employed shows applicability to full-aircraft flight test data for identifying nonlinear modal interactions without knowledge of the precise nonlinear contributors.

nonlinear dynamics↗
DOE OSTI2017

Equilibrium denaturation and preferential interactions of an RNA tetraloop with urea

Urea is an important organic cosolute with implications in maintaining osmotic stress in cells and differentially stabilizing ensembles of folded biomolecules. We report an equilibrium study of urea-induced denaturation of a hyperstable RNA tetraloop through unbiased replica exchange molecular dynamics. We find that, in addition to destabilizing the folded state, urea smooths the RNA free energy landscape by destabilizing specific configurations, and forming favorable interactions with RNA nucleobases. A linear concentration-dependence of the free energy (m-value) is observed, in agreement with the results of other RNA hairpins and proteins. Additionally, analysis of the hydrogen-bonding and stacking interactions within RNA primarily show temperature-dependence, while interactions between RNA and urea primarily show concentration-dependence. Lastly, our findings provide valuable insight into the effects of urea on RNA folding and describe the thermodynamics of a basic RNA hairpin as a function of solution chemistry.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1996

Study of the Mutual Interaction Between a Wing Wake and an Encountering Airplane

In an effort to increase airport productivity, several wind-tunnel and flight-test programs are currently underway to determine safe reductions in separation standards between aircraft. These programs are designed to study numerous concepts from the characteristics and detection of wake vortices to the wake-vortex encounter phenomenon. As part of this latter effort, computational tools are being developed and utilized as a means of modeling and verifying wake-vortex hazard encounters. The objective of this study is to assess the ability of PMARC, a low-order potential-flow panel method, to predict the forces and moments imposed on a following business-jet configuration by a vortex interaction. Other issues addressed include the investigation of several wake models and their ability to predict wake shape and trajectory, the validity of the velocity field imposed on the following configuration, modeling techniques and the effect of the high-lift system and the empennage. Comparisons with wind-tunnel data reveal that PMARC predicts the characteristics for the clean wing-body following configuration fairly well. Non-linear effects produced by the addition of the high-lift system and empennage, however, are not so well predicted.

Walden, A. B.↗
DOE OSTI2013

Collective oscillations of the magnetic moments of a chain of spherical magnetic nanoparticles with uniaxial magnetic anisotropy

Magnetic particles moving freely in a fluid can organize dense phases (3D clusters or linear chains). We analyze the spectrum of magnetic oscillations of a chain of spherical magnetic particles taking into account the magnetic anisotropy of an individual particle for an arbitrary relation between the anisotropy energy and the energy of the dipole interaction of particles. For any relation between these energies, the spectrum contains three branches of collective oscillations: a high-frequency branch and a weakly split doublet of low-frequency branches. The frequency of the high-frequency branch is determined by a stronger interaction, while the frequencies of the low-frequency branches are determined by the weakest interaction. Accordingly, the dispersion is maximal for oscillations formed by the dipole-dipole interaction of particles, which have high frequencies in the case of a strong dipole interaction or low frequencies in the case of a strong anisotropy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2006

Validation of High-Speed Turbulent Boundary Layer and Shock-Boundary Layer Interaction Computations with the OVERFLOW Code

The capability of the OVERFLOW code to accurately compute high-speed turbulent boundary layers and turbulent shock-boundary layer interactions is being evaluated. Configurations being investigated include a Mach 2.87 flat plate to compare experimental velocity profiles and boundary layer growth, a Mach 6 flat plate to compare experimental surface heat transfer,a direct numerical simulation (DNS) at Mach 2.25 for turbulent quantities, and several Mach 3 compression ramps to compare computations of shock-boundary layer interactions to experimental laser doppler velocimetry (LDV) data and hot-wire data. The present paper describes outlines the study and presents preliminary results for two of the flat plate cases and two small-angle compression corner test cases.

Oliver, A. B.↗
DOE OSTI2020

Dislocation-graphene interactions in Cu/graphene composites and the effect of boundary conditions: a molecular dynamics study

Here, in this paper, systematic molecular dynamics simulations were employed to study dislocation-graphene interactions in Cu/graphene systems using two carefully selected configurations: (i) edge dislocations in the pileup interacting with graphene during nanoindentation and (ii) complex dislocations interacting with graphene in compression of layered nanopillars. The intrinsic and extrinsic size effects were investigated with respect to varying the Cu lamella thickness and pillar sizes, revealing an anomalous extrinsic size effect: the smaller, the weaker. To understand which boundary conditions are physically consistent, both free and periodic graphene were considered. It was seen that edge dislocations in the pileup continuously transmitted across the free graphene through Cu/graphene interfacial sliding and graphene reorientation, whereas transmission was very difficult for periodic graphene as its in-plane deformation was required. In compression of Cu/graphene nanopillars, the strengthening effect of free graphene was found to be less obvious than that of the periodic case, which could be attributed to free graphene edges acting as dislocation sources after the compressed Cu overflowed the graphene sheet from all directions. We therefore conclude that the strengthening effect of periodic graphene inclusions appears to be overestimated, such that free graphene should be more appropriate.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Instabilities in the Early Solar System Due to a Self-gravitating Disk

Modern studies of the early solar system routinely invoke the possibility of an orbital instability among the giant planets triggered by gravitational interactions between the planets and a massive exterior disk of planetesimals. Previous works have suggested that this instability can be substantially delayed (about hundreds of megayears) after the formation of the giant planets. Bodies in the disk are typically treated in a semi-active manner, wherein their gravitational force on the planets is included, but interactions between the planetesimals are ignored. We perform N-body numerical simulations using GENGA, which makes use of GPUs to allow for the inclusion of all gravitational interactions between bodies. Although our simulated Kuiper Belt particles are more massive than the probable masses of real primordial Kuiper Belt objects, our simulations indicate that the self-stirring of the primordial Kuiper Belt is very important to the dynamics of the giant planet instability. We find that interactions between planetesimals dynamically heat the disk and typically prevent the outer solar system’s instability from being delayed by more than a few tens of megayears after giant planet formation. Longer delays occur in a small fraction of systems that have at least 3.5 au gaps between the planets and planetesimal disk. Our final planetary configurations match the solar system at a rate consistent with other previous works in most regards. Pre-instability heating of the disk typically yields final Jovian eccentricities comparable to the modern solar system’s value, which has been a difficult constraint to match in past works.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Mesoscopic Adaptive Resolution Scheme toward Understanding of Interactions between Sickle Cell Fibers

Understanding of intracellular polymerization of sickle hemoglobin (HbS) and subsequent interaction with the membrane of a red blood cell (RBC) is important to predict the altered morphologies and mechanical properties of sickle RBCs in sickle cell anemia. However, modeling the integrated processes of HbS nucleation, polymerization, HbS fiber interaction, and subsequent distortion of RBCs is challenging as they occur at multispatial scales, ranging from nanometers to micrometers. To make progress toward simulating the integrated processes, we propose a hybrid HbS fiber model, which couples fine-grained and coarse-grained HbS fiber models through a mesoscopic adaptive resolution scheme (MARS). To this end, we apply a microscopic model to capture the dynamic process of polymerization of HbS fibers, while maintaining the mechanical properties of polymerized HbS fibers by the mesoscopic model, thus providing a means of bridging the subcellular and cellular phenomena in sickle cell disease. At the subcellular level, this model can simulate HbS polymerization with preexisting HbS nuclei. At the cellular level, if combined with RBC models, the generated HbS fibers could be applied to study the morphologies and membrane stiffening of sickle RBCs. One important feature of the MARS is that it can be easily employed in other particle-based multiscale simulations where a dynamic coarse-graining and force-blending method is required. As demonstrations, we first apply the hybrid HbS fiber model to simulate the interactions of two growing fibers and find that their final configurations depend on the orientation and interaction distance between two fibers, in good agreement with experimental observations. We also model the formation of fiber bundles and domains so that we explore the mechanism that causes fiber branching.

Biophysics↗
DOE OSTI2021

Two- and three-nucleon contact interactions and ground-state energies of light- and medium-mass nuclei

Classes of two-nucleon (2N) contact interactions are developed in configuration space at leading order (LO), next-to-leading order (NLO), and next-to-next-to-next-to-leading order (N3LO) by fitting the experimental singlet np scattering length and deuteron binding energy at LO, and np and pp scattering data in the laboratory-energy ranges 0–15 MeV at NLO and 0–25 MeV at N3LO. These interactions are regularized by including two Gaussian cutoffs, one for T = 0 and the other for T = 1 channels. The cutoffs are taken to vary in the ranges R 0 = (1.5 –2.3) fm and R 1 = (1.5 –3.0) fm. The 780 (1100) data points up to 15 (25) MeV energy, primarily differential cross sections, are fitted by the NLO (N3LO) models with a χ 2 / datum about 1.7 or less (well below 1.5), when harder cutoff values are adopted. As a first application, we report results for the binding energies of nuclei with mass numbers A = 3 –6 and 16 obtained with selected LO and NLO 2N models both by themselves as well as in combination with a LO three-nucleon (3N) contact interaction. The latter is characterized by a single low-energy constant that is fixed to reproduce the experimental 3 H binding energy. The inclusion of the 3N interaction largely removes the sensitivity to cutoff variations in the few-nucleon systems and leads to predictions for the 3 He and 4 He binding energies that cluster around 7.8 and 30 MeV, respectively. However, in 16 O this cutoff sensitivity remains rather strong. Finally, predictions at LO only are also reported for medium-mass nuclei with A = 40 , 48, and 90.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1983

Vortical flow management for improved configuration aerodynamics: Recent experiences

Recent progress in vortex-control applications for alleviating the adverse consequences of three dimensional separation and vortical interactions on slender body/swept wing configurations is reported. Examples include helical separation trip to alleviate the side force due to forebody vortex asymmetry; hinged strakes to avoid vortex breakdown effects; compartmentation of swept leading edge separation to delay the pitch-up instability; under wing vortex trip and vortex trip and vortex flaps for drag reduction at high lift; and an apex-flap trimmer to fully utilize the lift capability of trailing-edge flaps for take off and landing of delta wings. Experimental results on generic wind-tunnel models are presented to illustrate the vortex-management concepts involved and to indicate their potential for enhancing the subsonic aerodynamics of supersonic-cruise type vehicles.

Rao, D. M.↗
NASA NTRS1988

Application of advanced grid generation techniques for flow field computations about complex configurations

In the computation of flowfields about complex configurations, it is very difficult to construct a boundary-fitted coordinate system. An alternative approach is to use several grids at once, each of which is generated independently. This procedure is called the multiple grids or zonal grids approach; its applications are investigated. The method conservative providing conservation of fluxes at grid interfaces. The Euler equations are solved numerically on such grids for various configurations. The numerical scheme used is the finite-volume technique with a three-stage Runge-Kutta time integration. The code is vectorized and programmed to run on the CDC VPS-32 computer. Steady state solutions of the Euler equations are presented and discussed. The solutions include: low speed flow over a sphere, high speed flow over a slender body, supersonic flow through a duct, and supersonic internal/external flow interaction for an aircraft configuration at various angles of attack. The results demonstrate that the multiple grids approach along with the conservative interfacing is capable of computing the flows about the complex configurations where the use of a single grid system is not possible.

Kathong, Monchai↗