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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Role of shock dynamics in transonic flutter

A computational study of the influence of shock motion on flutter and divergence in transonic flow is presented. The numerical scheme models the entire fluid-structure system as a single continuum dynamics problem, by using a mixed Eulerian-Lagrangian formulation. No assumptions of small displacements are made, but the effect of viscosity is neglected. The results from this study indicate that the shock dynamics gives rise to limit cycles and highly nonlinear aeroelastic phenomena, such as weak divergence and flutter-divergence interactions. Although the shocks typically are destabilizing at the linear flutter boundary, they often have a strongly stabilizing effect for moderate-amplitude motions. The shocks are thus capable of quenching an emerging bending-torsion flutter motion and turning it into limit cycle flutter. The usefulness of classical flutter and divergence boundary diagrams is severely limited in transonic flow, because much of the global dynamic stability information is lost in such a presentation.

Bendiksen, Oddvar O.↗
DOE OSTI2016

Glass–water interaction: Effect of high-valence cations on glass structure and chemical durability

Borosilicate glass is a durable solid, but it dissolves when in contact with aqueous fluids. The dissolution mechanism, which involves a variety of sequential reactions that occur at the solid-fluid interface, has important implications for the corrosion resistance of industrial and nuclear waste glasses. In this study, spectroscopic measurements, dissolution experiments, and Monte Carlo simulations were performed to investigate the effect of high–valence cations (HVC) on the mechanisms of glass dissolution under dilute and near-saturated conditions. Raman and NMR spectroscopy were used to determine the structural changes that occur in glass, specifically network formers (e.g., Al, Si, and B), with the addition of the HVC element hafnium in the Na2O–Al2O3–B2O3–HfO2–SiO2 system (e.g., Na/[Al+B] = 1.0 and HfO2/SiO2 from 0.0 to 0.42). Spectroscopic measurements revealed that increasing hafnium content decreases N4 (tetrahedral boron/total boron) and increases the amount of Si—O—Hf moieties in the glass. Results from flow–through experiments conducted under dilute and near–saturated conditions show a decrease of approximately 100× or more in the dissolution rate over the series from 0 to 20 mol% HfO2. Comparing the average steady-state rates obtained under dilute conditions to the rates obtained for near-saturated conditions reveals a divergence in the magnitude between the average steady state rates measured in these different conditions. The reason for this divergence was investigated more thoroughly using Monte Carlo simulations. Simulations indicate that the divergence in glass dissolution behavior under dilute and near-saturated conditions result from the stronger binding of Si sites that deposit on the surface from the influent when Hf is present in the glass. As a result, the residence time at the glass surface of these newly-formed Si sites is longer in the presence of Hf, which increases the density of anchor sites from which altered layers with higher Si densities can form. These results illustrate the importance of understanding solid–water/solid-fluid interactions by linking macroscopic reaction kinetics to nanometer scale interfacial processes.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2022

MPEX High Heat Flux Plasma Dump Design, Manufacture, and Articles Test

Here, the Material Plasma Exposure eXperiment (MPEX) device is a steady-state linear plasma device currently in the final design phase at the Oak Ridge National Laboratory. This device will reach ion fluences up to 10 31 m -2 and will be used to expose neutron-irradiated materials to divertor-relevant plasmas and to study the effects of plasma-material interactions. These studies will elucidate the complex effects of plasmas with divertor candidate materials capable of withstanding high heat flux and high fluences for next-generation fusion devices. Bidirectional plasma will be generated using a high-power (200 kW) helicon source. Plasma will be confined by superconducting magnets. The last plasma-facing component on the upstream side of the MPEX device is the dump, which has been designed to intercept plasma and energetic particles. The dump will have a total heat load of 9.2 kW. A copper alloy (Glidcop AL-15) was selected for use in the water-cooled flange design because of its high thermal conductivity, its retaining strength at elevated temperatures, and its ability to be used in the high-temperature braze joints used in this application. Titanium-zirconium-molybdenum (TZM) tiles are brazed to the Glidcop AL-15 flange using high-temperature braze alloy. External water-cooling channels are used on the dump flange to prevent water leakage inside the vacuum space. This article discusses the details of the high heat flux dump design, including the computational fluid dynamics (CFD) and structural analyses performed to validate the design to meet the operational requirements of the MPEX device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Extension of the Highly Mobile Membrane Mimetic to Transmembrane Systems through Customized in Silico Solvents

Typically, the mechanics of the protein–lipid interactions of transmembrane proteins are difficult to capture with conventional atomic molecular dynamics, due to the slow lateral diffusion of lipids restricting sampling to states near the initial membrane configuration. The highly mobile membrane mimetic (HMMM) model accelerates lipid dynamics by modeling the acyl tails nearest to the membrane center as a fluid organic solvent while maintaining an atomic description of the lipid headgroups and short acyl tails. The HMMM has been applied to many peripheral protein systems; however, the organic solvent used to date caused deformations in transmembrane proteins by intercalating into the protein and disrupting interactions between individual side chains. We ameliorate the effect of the solvent on transmembrane protein structure through the development of two new in silico Lennard-Jones solvents. The parameters for the new solvents were determined through an extensive parameter search in order to match the bulk properties of alkanes in a highly simplified model. Using these new solvents, we substantially improve the insertion free energy profiles of 10 protein side chain analogues across the entire bilayer. Furthermore, we reduce the intercalation of solvent into transmembrane systems, resulting in native-like transmembrane protein structures from five different topological classes within a HMMM bilayer. The parametrization of the solvents, in addition to their computed physical properties, is discussed. By combining high lipid lateral diffusion with intact transmembrane proteins, we foresee the developed solvents being useful to efficiently identify membrane composition inhomogeneities and lipid binding caused by the presence of membrane proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Distinct Chemistries Explain Decoupling of Slip and Wettability in Atomically Smooth Aqueous Interfaces

Despite essentially identical crystallography and equilibrium structuring of water, nanoscopic channels composed of hexagonal boron nitride and graphite exhibit an order-of-magnitude difference in fluid slip. We investigate this difference using molecular dynamics simulations, demonstrating that its origin is in the distinct chemistries of the two materials. In particular, the presence of polar bonds in hexagonal boron nitride, absent in graphite, leads to Coulombic interactions between the polar water molecules and the wall. We demonstrate that this interaction is manifested in a large typical lateral force experienced by a layer of oriented hydrogen atoms in the vicinity of the wall, leading to the enhanced friction in hexagonal boron nitride. The fluid adhesion to the wall is dominated by dispersive forces in both materials, leading to similar wettabilities. Finally, our results rationalize recent observations that the difference in frictional characteristics of graphite and hexagonal boron nitride cannot be explained on the basis of the minor differences in their wettabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Effect of polarization force on the Mach cones in a complex plasma

We report the modifications of compressional Mach cone propagation characteristics due to the polarization force acting on micron size dust particles embedded in a non-uniform plasma. We solve the hydrodynamic fluid equations for highly charged dust particles to investigate the Mach cone by incorporating the polarization force in the momentum equation and observe the structural change on lateral wakes at different polarization force for a given Mach number and Epstein drag force. We also notice that the maximum amplitude of normalized dust density perturbation decreases with the increase of polarization interaction when the other parameters remain constant.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

A preliminary study of extended magnetic field structures in the ionosphere

Several plasma phenomena which are to be expected around a magnet in LEO were identified and analyzed qualitatively. The ASTROMAG cusp magnet will create an extended field whose strength drops to the ambient level over a scale length of approx. 15 m; the combined field has a complex topology with ring nulls and open and closed field lines. The entire configuration is moving through the partially ionized F-layer of the ionosphere at a speed slow compared to the local Alfven speed but fast compared to the ion sound speed. The ambient plasma crosses the extended field structure in a time short compared to the ion Larmor period yet long relative to the electron Larmor period. Thus, electrons behave as a magnetized fluid while ions move ballistically until reflected from higher fields near the cusp. Since the Debye length is short compared to the field scale length, an electrostatic shock-like structure forms to equilibrate the flows and achieve quasi-neutrality. The ambient plasma will be excluded from a cavity near the magnet. The size and nature of the strong interaction region in which the magnet significantly perturbs the ambient flow were determined by studying ion orbits numerically. Lecture viewgraphs summarizing these results are presented.

Sullivan, James D.↗
NASA NTRS2015

Structural-Thermal-Optical-Performance (STOP) Analysis

The presentation will be given at the 26th Annual Thermal Fluids Analysis Workshop (TFAWS 2015) hosted by the Goddard Spaceflight Center (GSFC) Thermal Engineering Branch (Code 545). A STOP analysis is a multidiscipline analysis, consisting of Structural, Thermal and Optical Performance Analyses, that is performed for all space flight instruments and satellites. This course will explain the different parts of performing this analysis. The student will learn how to effectively interact with each discipline in order to accurately obtain the system analysis results.

Optical↗
DOE OSTI2014

A recipe for free-energy functionals of polarizable molecular fluids

Classical density-functional theory is the most direct approach to equilibrium structures and free energies of inhomogeneous liquids, but requires the construction of an approximate free-energy functional for each liquid of interest. We present a general recipe for constructing functionals for small-molecular liquids based only on bulk experimental properties and ab initio calculations of a single solvent molecule. This recipe combines the exact free energy of the non-interacting system with fundamental measure theory for the repulsive contribution and a weighted density functional for the short-ranged attractive interactions. We add to these ingredients a weighted polarization functional for the long-range correlations in both the rotational and molecular-polarizability contributions to the dielectric response. We also perform molecular dynamics calculations for the free energy of cavity formation and the high-field dielectric response, and show that our free-energy functional adequately describes these properties (which are key for accurate solvation calculations) for all three solvents in our study: water, chloroform, and carbon tetrachloride.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Vorticity dynamics after the shock–turbulence interaction

In this article, the interaction of a shock wave with quasi-vortical isotropic turbulence (IT) represents a basic problem for studying some of the phenomena associated with high speed flows, such as hypersonic flight, supersonic combustion and Inertial Confinement Fusion (ICF). In general, in practical applications, the shock width is much smaller than the turbulence scales and the upstream turbulent Mach number is modest. In this case, recent high resolution shock-resolved Direct Numerical Simulations (DNS) (Ryu and Livescu, J Fluid Mech 756, R1, 2014) show that the interaction can be described by the Linear Interaction Approximation (LIA). Using LIA to alleviate the need to resolve the shock, DNS post-shock data can be generated at much higher Reynolds numbers than previously possible. Here, such results with Taylor Reynolds number approximately 180 are used to investigate the changes in the vortical structure as a function of the shock Mach number, M s , up to M s = 10. It is shown that, as M s increases, the shock interaction induces a tendency towards a local axisymmetric state perpendicular to the shock front, which has a profound influence on the vortex-stretching mechanism and divergence of the Lamb vector and, ultimately, on the flow evolution away from the shock.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Gravitational effects of condensate dark matter on compact stellar objects

We study the gravitational effect of non-self-annihilating dark matter on compact stellar objects. The self-interaction of condensate dark matter can give high accretion rate of dark matter onto stars. Phase transition to condensation state takes place when the dark matter density exceeds the critical value. A compact degenerate dark matter core is developed and alter the structure and stability of the stellar objects. Condensate dark matter admixed neutron stars is studied through the two-fluid TOV equation. The existence of condensate dark matter deforms the mass-radius relation of neutron stars and lower their maximum baryonic masses and radii. The possible effects on the Gamma-ray Burst rate in high redshift are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1998

The bearable lightness of being: bones, muscles, and spaceflight

Bones and muscles support and move the body. Tendons link the two tissues and serve as a mechanism for transfer of forces from muscle to bone. These three tissues interact and respond to periods of activity or inactivity with appropriate alterations in structure and strength. There is substantial evidence that an environment devoid of mechanical stress on the skeleton (such as reduced gravitational forces during spaceflight, a "microgravity environment") produces direct effects on bone structure and function. There is little agreement concerning the biologic mechanisms for these atrophic changes. Changes in fluid balance and distribution coincident to spaceflight also affect muscles and bones by an unknown mechanism. Tendon-bone junctions are presumed to be spared from the effects of spaceflight. However, recent evidence from rodents suggests that spaceflight profoundly effects both the skeleton and the tendon-bone junctions. These effects include cortical bone resorption, which undermines the Sharpey's fibers that anchor the tendon to the bone matrix. The challenge to biomedical scientists is to devise methods for protecting spaceflight crews from these atrophic changes; such protection would allow for longer and more extensive spaceflights.

manned↗
NASA NTRS1993

Numerical simulation of steady and unsteady viscous flow in turbomachinery using pressure based algorithm

The objective of this research is to simulate steady and unsteady viscous flows, including rotor/stator interaction and tip clearance effects in turbomachinery. The numerical formulation for steady flow developed here includes an efficient grid generation scheme, particularly suited to computational grids for the analysis of turbulent turbomachinery flows and tip clearance flows, and a semi-implicit, pressure-based computational fluid dynamics scheme that directly includes artificial dissipation, and is applicable to both viscous and inviscid flows. The values of these artificial dissipation is optimized to achieve accuracy and convergency in the solution. The numerical model is used to investigate the structure of tip clearance flows in a turbine nozzle. The structure of leakage flow is captured accurately, including blade-to-blade variation of all three velocity components, pitch and yaw angles, losses and blade static pressures in the tip clearance region. The simulation also includes evaluation of such quantities of leakage mass flow, vortex strength, losses, dominant leakage flow regions and the spanwise extent affected by the leakage flow. It is demonstrated, through optimization of grid size and artificial dissipation, that the tip clearance flow field can be captured accurately. The above numerical formulation was modified to incorporate time accurate solutions. An inner loop iteration scheme is used at each time step to account for the non-linear effects. The computation of unsteady flow through a flat plate cascade subjected to a transverse gust reveals that the choice of grid spacing and the amount of artificial dissipation is critical for accurate prediction of unsteady phenomena. The rotor-stator interaction problem is simulated by starting the computation upstream of the stator, and the upstream rotor wake is specified from the experimental data. The results show that the stator potential effects have appreciable influence on the upstream rotor wake. The predicted unsteady wake profiles are compared with the available experimental data and the agreement is good. The numerical results are interpreted to draw conclusions on the unsteady wake transport mechanism in the blade passage.

Lakshminarayana, B.↗
DOE OSTI2017

A Laboratory Astrophysical Jet to Study Canonical Flux Tubes

Understanding the interaction between plasma flows and magnetic fields remains a fundamental problem in plasma physics, with important applications to astrophysics, fusion energy, and advanced space propulsion. For example, flows are of primary importance in astrophysical jets even if it is not fully understood how jets become so long without becoming unstable. Theories for the origin of magnetic fields in the cosmos rely on flowing charged fluids that should generate magnetic fields, yet this remains to be demonstrated experimentally. Fusion energy reactors can be made smaller with flows that improve stability and confinement. Advanced space propulsion could be more efficient with collimated and stable plasma flows through magnetic nozzles but must eventually detach from the nozzle. In all these cases, there appears to be a spontaneous emergence of flowing and/or magnetic structures, suggesting a form of self-organization in plasmas. Beyond satisfying simple intellectual curiosity, understanding plasma self-organization could enable the development of methods to control plasma structures for fusion energy, space propulsion, and other applications. The research project has therefore built a theory and an experiment to investigate the interaction between magnetic fields and plasma flows. The theory is called canonical field theory for short, and the experiment is called Mochi after a rice cake filled with surprising, yet delicious fillings.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

An analysis of the spatio-temporal resolution of the immersed boundary method with direct forcing

The immersed boundary method (IBM) with direct forcing is very popular in the simulation of rigid particulate flows. In the IBM, an interaction force is introduced at the interface between fluid and particle in order to approximate the no-slip boundary condition. The interaction force is calculated through dividing the velocity difference (or error) between fluid and particle at the interface by the time step. Here, a dynamic equation for the velocity difference is derived. Additionally, analyses on the dynamic equation provide a few new findings: (i) The interaction force is the solution of a least-squares error problem, with the direct implication that the Lagrangian marker distribution has no effect on the large scale flow structure once the distribution of Lagrangian markers become saturated along the interface (i.e., each marker remains properly correlated with all its neighbors); (ii) The Lagrangian volume-weight is a relaxation factor to control how fast the velocity error decays to the ideal value of zero; (iii) The optimal choice of the Lagrangian volume-weight is the largest value permissible by a stability condition. A comprehensive convergence analysis with regard to the spatial and temporal resolution is presented for the velocity error and also for the shear-stress and surface pressure. In three simple canonical problems, it is analytically and numerically shown that the IBM results converge to the theoretical solutions obtained with precise imposition of no-slip and no-penetration boundary conditions. It is observed that it is not necessary to match the Lagrangian marker volume-weight to that of the local Eulerian cell volume and in fact this matching leads to lower than optimal computational efficiency. However, it is found that extremely high Eulerian grid resolution and small time step have to be used to obtain high precision simulation results. Especially, the time step should be inversely proportional to the particle Reynolds number for low Reynolds number flows. For high frequency oscillation problems, the grid size needs to be reduced by a factor of the square root of the frequency, and the time step to be reduced by a factor of the frequency. The theoretical findings here can be used to alleviate the technical difficulties in simulating non-spherical particles by not requiring the Lagrangian marker distribution to match the Eulerian grids and also in the implementation of IBM on non-uniform Eulerian grids. The present work also provides simple practical guidance on the choice of temporal and spatial resolution so as to control the simulation error a priori.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Theory and Simulation of Nanoscale Phenomena

The Center for Integrated Nanotechnologies (CINT) is a Department of Energy/Office of Science Nanoscale Science Research Center (NSRC), operating as a national user facility devoted to establishing the scientific principles that govern nanoscale integration. Nanoscale integration is defined as assembling diverse nanoscale materials across length scales to design and achieve new properties and functionality. The CINT Theory and Simulation of Nanoscale Phenomena thrust is the component of CINT dedicated to developing and applying theory to enable nanoscale integration. Our focus is on understanding and simulating the unique behavior of integrated materials and systems with nanoscale structure. This mission is achieved through collaborations with CINT Users, between thrust scientists, and with CINT scientists from other thrusts. Our research is focused on three science directions that together form the basis for integration at the nanoscale, namely (i) Hierarchical structure and dynamics in soft matter, (ii) Excitation and Transport in Nanostructured Systems, and (iii) Emergent phenomena at surfaces and interfaces. A broad spectrum of techniques is developed and applied including continuum fluid theory, atomistic and coarse-grained molecular dynamics simulations, static and dynamic electronic structure calculations, multiscale modeling, low-energy effective Hamiltonian methods, and perturbative and exact quantum many-body approaches. These tools are applied to physical systems of interest to CINT Users, the other CINT thrusts, and the general scientific community with the goals of understanding and controlling the interactions between nanoscale building blocks to assemble specific integrated structures, controlling energy transfer and other interactions over multiple length scales, and designing and exploiting the interactions within assembled structures to achieve new materials functionality.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Phase Behavior of Charged Star Block Copolymers at Fluids Interface

The phase behavior of block copolymers (BCPs) at the water-oil interface is influenced by the segmental interaction parameter (χ) and chain architecture. We synthesized a series of star block copolymers (s-BCPs) having polystyrene (PS) as core and poly(2-vinylpyridine) (P2VP) as corona. The interaction parameters of block-block (χ PS-P2VP ) and block-solvent (χ P2VP-solvent ) were varied by adjusting the pH of the aqueous solution. Lowering pH increased the fraction of quaternized-P2VP (Q-P2VP) with enhanced hydrophilicity. By transferring the equilibrated interfacial assemblies, morphologies ranging from bicontinuous films at pH of 7 and 3.1 to nanoporous and nanotubular structure at pH of 0.65 were observed. The nanoporous films formed hexagonally packed pores in s-BCP matrix, while nanotubes comprised Q-P2VP as corona and PS as core. Control over pore size, d-spacing between pores, and nanotube diameters was achieved by varying polymer concentration, molecular weight, volume fraction and arm number of s-BCPs. Large-scale nanoporous films were obtained by freeze-drying emulsions. Remarkably, the morphologies of linear BCPs were inverted, forming hexagonal-packed rigid spherical micelles with Q-P2VP as core and PS as corona in multilayer. Here, this work provides insights of phase behaviors of BCP at fluids interface and offer a facile approach to prepare nanoporous film with well-controlled pore structure.

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

Shape effects on the local dynamics of suspensions of spheroidal particles

The effect of shape on the dynamics of suspensions of non-spherical heavy particles is examined by fully resolved numerical simulations of oblate and prolate spheroids, as well as spheres, for a density ratio of ten, volume fractions ranging from 0.5% to 5%, and Reynolds numbers between 20 and 30. The dynamics is determined both by the interactions of the particles with the fluid as well as by collisions, with the number and importance of collisions increasing with volume fractions. A single isolated oblate or prolate spheroid falling under gravity generally falls broadside on, for the governing parameters examined here, and at low-volume fractions, the majority of particles in a suspension fall that way. At higher-volume fractions, the orientation is more random. The slip velocity decreases as the volume fraction increases for all shapes, as expected, but the effect of the shape is much less than seen for a single particle. Furthermore, this seems to be due to two effects. For all volume fractions, the most deformed particles cluster more than spheres and less deformed particles, which increases their slip velocity. As the concentration increases, the increased particle interactions also causes more particles to fall short side-on, which reduces the frontal area and the resulting drag, increasing the slip velocity. This second effect is, of course, absent for spherical particles.

42 ENGINEERING↗