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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Behaviour of Alpha Emitters in Cement - 16139

Alpha emitting radioelements can interact with cements in a number of ways. Alpha-radiolysis of water produces hydrogen that may pressurise and damage the structure, and it is postulated that the intense alpha radiation field around waste particles containing high alpha activity can cause mineralogical changes in the hydration products. In addition, their solubility in cement pore fluid can be increased by complexation with organic materials such as the degradation products of cellulose, which itself may be promoted by alpha irradiation. Analysis of pore fluid expressed from cements containing plutonium and a range of organic materials has demonstrated their effect on plutonium solubility. Calculations of hydrogen pressurisation as a result of alpha radiolysis suggest that radiolytic hydrogen will not exceed tensile strength of the cement. Further work is described in which cements containing high loadings of plutonium will be examined in the NNL Central Laboratory to investigate mineralogical changes during and after hydration. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2014

OASIS Observation and Analysis of Smectic Islands in Space

The Observation and Analysis of Smectic Islands in Space (OASIS) project comprises a series of experiments that will probe the interfacial and hydrodynamic behavior of freely suspended liquid crystal films in space. These are the thinnest known stable condensed phase structures, making them ideal for studies of fluctuation and interface phenomena. The experiments seek to verify theories of coarsening dynamics, hydrodynamic flow, relaxation of hydrodynamic perturbations, and hydrodynamic interactions of a near two-dimensional structure. The effects of introducing islands or droplets on a very thin bubble will be studied, both as controllable inclusions that modify the flow and as markers of flow.

liquid crystals↗
DOE OSTI2014

Angle-resolved effective potentials for disk-shaped molecules

We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in atomistically-resolved molecular dynamics (MD) computer simulations. Throughout this study we focus on disk-like molecules such as coronene. To develop the methods we focus on integrating out the van der Waals and intramolecular interactions, while electrostatic charge contributions are neglected. The resulting coarse-grained pair potential reveals a strong temperature and angle dependence. In the next step we fit the numerical data with various Gay-Berne-like potentials to be used in more efficient simulations on larger scales. The quality of the resulting coarse-grained results is evaluated by comparing their pair and many-body structure as well as some thermodynamic quantities self-consistently to the outcome of atomistic MD simulations of many-particle systems. We find that angle-resolved potentials are essential not only to accurately describe crystal structures but also for fluid systems where simple isotropic potentials start to fail already for low to moderate packing fractions. Further, in describing these states it is crucial to take into account the pronounced temperature dependence arising in selected pair configurations due to bending fluctuations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Potential of mean force for electrical conductivity of dense plasmas

The electrical conductivity in dense plasmas can be calculated with the relaxation-time approximation provided that the interaction potential between the scattering electron and the ion is known. To date there has been considerable uncertainty as to the best way to define this interaction potential so that it correctly includes the effects of ionic structure, screening by electrons and partial ionization. The current approximations lead to significantly different results with varying levels of agreement when compared to bench-mark calculations and experiments. Here, we present a new way to define this potential, drawing on ideas from classical fluid theory to define a potential of mean force. This new potential results in significantly improved agreement with experiments and bench-mark calculations, and includes all the aforementioned physics self-consistently.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

Combustor-Turbine Interactions By Using the Open National Combustion Code (OpenNCC) and the Glenn-HT Code

We develop the methodology of coupling two different computational fluid dynamic (CFD) codes, OpenNCC and Glenn-HT, in order to investigate the unsteady flow fields inside the combustor and around the first-stage stator of a high-pressure turbine (HPT) from the energy efficient engine (E 3 ) program. In our coupling strategy, OpenNCC, a time accurate unstructured mesh multi-phase combustion CFD code, is applied to the combustor region and Glenn-HT, a structured mesh CFD code designed for turbine applications, is utilized inside the HPT region. As a proof of concept, we first simulate the three-dimensional airflow over the backward facing step and compared the predicted pressure coefficient against experimental data. We then considered a Jet-A/Air combustor with the NASA single learn direct injector (LDI) as a reacting flow test case. Here, Glenn-HT is used in the downstream of the combustor and assumes that the working fluid is a single gas (i.e., air) where the properties of the gas are taken from time- and area-averaged values at the combustor exit. A fully coupled combustor-turbine simulation using both OpenNCC and Glenn-HT was conducted on the E 3 combustor and a detailed analysis done pertaining to how a realistic combustor outflow affects migration of hot-streaks and its impact on the aerodynamic behavior inside the HPT. It is found that the combustion dynamics (i.e., the switching main and pilot flame strength) significantly alters the aerodynamic behavior inside the HPT including hot-streak migration. Variations of the temperature and the velocity magnitude in the passage could be up to ±75 and ±15. These large variations are an important part of the combustor-turbine interactions, which are overlooked by a single component simulation of the HPT while imposing the steady inflow boundary condition at the HPT inlet. Finally, it is observed the strong density gradient associated with the hot-streaks and the pressure gradient at the passage significantly enhances the baroclinic torque, affecting the vorticity field.

CFD hot-streaks↗
DOE OSTI2016

Collective modes in two-dimensional one-component-plasma with logarithmic interaction

The collective modes of a familiar two-dimensional one-component-plasma with the repulsive logarithmic interaction between the particles are analysed using the quasi-crystalline approximation (QCA) combined with the molecular dynamic simulation of the equilibrium structural properties. It is found that the dispersion curves in the strongly coupled regime are virtually independent of the coupling strength. Arguments based on the excluded volume consideration for the radial distribution function allow us to derive very simple expressions for the dispersion relations, which show excellent agreement with the exact QCA dispersion over the entire domain of wavelengths. Comparison with the results of the conventional fluid analysis is performed, and the difference is explained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Directing the phase behavior of polyelectrolyte complexes using chiral patterned peptides

Polyelectrolyte complexes (PECs) have a broad range of promising applications as soft materials due to their self-assembly and diversity of structure and chemical composition. Peptide polymer PECs are highly biocompatible and biodegradable, making them particularly useful for encapsulation of food additives and flavors, micellar drug delivery, medical and underwater adhesives, fetal membrane patches, and scaffolds for cell growth in tissue engineering. While parameters affecting PEC formation and stability in regards to charge effects are well researched, little is known about the effects of van der Waals interactions, hydrogen bonding, and secondary structure in these materials. Peptide chirality provides a unique opportunity to manipulate PEC phase to modulate the amount of solid-like (precipitate) or liquid-like (coacervate) character by influencing hydrogen bonding interactions among peptide chains. In previous work, we showed that chiral peptides form solid complexes, while complexes with even one racemic peptide were fluid. This raised the interesting question of how long a homochiral sequence must be to result in solid phase formation. In this work, we designed chiral patterned peptides of polyglutamic acid and polylysine ranging from 50 to 90% L-chiral residues with increasing numbers of sequential L-chiral residues before a chirality change. These polymers were mixed together to form PECs. We observed that 8 or more sequential L-chiral residues are necessary to achieve both the appearance of a precipitate phase and sustained beta-sheets in the complex, as determined by optical imaging and FTIR Spectroscopy. Less homochiral content results in formation of a coacervate phase. Thus, we show that chiral sequence can be used to control the phase transition of PECs. Understanding how to manipulate PEC phase using chiral sequence as presented here may enable tuning of the material properties to achieve the desired mechanical strength for coatings and polymer brushes, or the most effective molecular release kinetics for drug delivery applications, for example.

Pacalin, Naomi M.↗
NASA NTRS1993

Nonclassical aileron buzz in transonic flow

A computational study of inviscid, transonic aileron and trailing-edge buzz instabilities is presented. A mixed Eulerian-Lagrangian formulation is used to model the fluid-structure system and to obtain a system of space-discretized equations that is time-marched to simulate the aeroelastic behavior of the wing-aileron system. Results obtained suggest that shock-induced separation may not be an essential driving force behind all buzz phenomena. Several examples are shown where the shock motion interacts with the aileron motion to extract energy from the flow. If the trailing-edge region is sufficiently flexible and the shocks are at the trailing edge, a trailing-edge buzz instability appears possible.

Bendiksen, Oddvar O.↗
NASA NTRS2008

Rotor Airloads Prediction Using Unstructured Meshes and Loose CFD/CSD Coupling

The FUN3D unsteady Reynolds-averaged Navier-Stokes solver for unstructured grids has been modified to allow prediction of trimmed rotorcraft airloads. The trim of the rotorcraft and the aeroelastic deformation of the rotor blades are accounted for via loose coupling with the CAMRAD II rotorcraft computational structural dynamics code. The set of codes is used to analyze the HART-II Baseline, Minimum Noise and Minimum Vibration test conditions. The loose coupling approach is found to be stable and convergent for the cases considered. Comparison of the resulting airloads and structural deformations with experimentally measured data is presented. The effect of grid resolution and temporal accuracy is examined. Rotorcraft airloads prediction presents a very substantial challenge for Computational Fluid Dynamics (CFD). Not only must the unsteady nature of the flow be accurately modeled, but since most rotorcraft blades are not structurally stiff, an accurate simulation must account for the blade structural dynamics. In addition, trim of the rotorcraft to desired thrust and moment targets depends on both aerodynamic loads and structural deformation, and vice versa. Further, interaction of the fuselage with the rotor flow field can be important, so that relative motion between the blades and the fuselage must be accommodated. Thus a complete simulation requires coupled aerodynamics, structures and trim, with the ability to model geometrically complex configurations. NASA has recently initiated a Subsonic Rotary Wing (SRW) Project under the overall Fundamental Aeronautics Program. Within the context of SRW are efforts aimed at furthering the state of the art of high-fidelity rotorcraft flow simulations, using both structured and unstructured meshes. Structured-mesh solvers have an advantage in computation speed, but even though remarkably complex configurations may be accommodated using the overset grid approach, generation of complex structured-mesh systems can require months to set up. As a result, many rotorcraft simulations using structured-grid CFD neglect the fuselage. On the other hand, unstructured-mesh solvers are easily able to handle complex geometries, but suffer from slower execution speed. However, advances in both computer hardware and CFD algorithms have made previously state-of-the-art computations routine for unstructured-mesh solvers, so that rotorcraft simulations using unstructured grids are now viable. The aim of the present work is to develop a first principles rotorcraft simulation tool based on an unstructured CFD solver.

Biedron, Robert T.↗
DOE OSTI2015

Four-way coupled simulations of small particles in turbulent channel flow: The effects of particle shape and Stokes number

This paper investigates the effects of particle shape and Stokes number on the behaviour of non-spherical particles in turbulent channel flow. Although there are a number of studies concerning spherical particles in turbulent flows, most important applications occurring in process, energy, and pharmaceutical industries deal with non-spherical particles. The computation employs a unique and novel four-way coupling with the Lagrangian point-particle approach. The fluid phase at low Reynolds number (Re{sub τ} = 150) is modelled by direct numerical simulation, while particles are tracked individually. Inter-particle and particle-wall collisions are also taken into account. To explore the effects of particles on the flow turbulence, the statistics of the fluid flow such as the fluid velocity, the terms in the turbulence kinetic energy equation, the slip velocity between the two phases and velocity correlations are analysed considering ellipsoidal particles with different inertia and aspect ratio. The results of the simulations show that the turbulence is considerably attenuated, even in the very dilute regime. The reduction of the turbulence intensity is predominant near the turbulence kinetic energy peak in the near wall region, where particles preferentially accumulate. Moreover, the elongated shape of ellipsoids strengthens the turbulence attenuation. In simulations with ellipsoidal particles, the fluid-particle interactions strongly depend on the orientation of the ellipsoids. In the near wall region, ellipsoids tend to align predominantly within the streamwise (x) and wall-normal (y) planes and perpendicular to the span-wise direction, whereas no preferential orientation in the central region of the channel is observed. Important conclusions from this work include the effective viscosity of the flow is not affected, the direct dissipation by the particles is negligible, and the primary mechanism by which the particles affect the flow is by altering the turbulence structure around the turbulence kinetic energy peak.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

SISGR - Hydrogen Caged in Carbon-Exploration of Novel Carbon-Hydrogen Interactions

Hydrogen trapped in a carbon cage, captured through repulsive interactions, is a novel concept in hydrogen storage. Trapping hydrogen via repulsive interactions borrows an idea from macroscale hydrogen storage (i.e. compressed gas storage tanks) and reapplies these concepts on the nanoscale in specially designed molecular containers. Under extreme conditions of pressure, hydrogen solubility in carbon materials is expected to increase and carbon is expected to restructure to minimize volume via a mixed sp2/sp3 hydrogenated state. Thermodynamics dictate that pre-formed C-H structures will rearrange with increased pressure, yet the final carbon-hydrogen interactions may be dependent upon the mechanism by which hydrogen is introduced. Gas “trapping” is meant to denote gas present in a solid in a high density, adsorbed-like state, when the external pressure is much less than that necessary to provide a comparable fluid density. Trapping thus denotes a kinetically metastable state rather than thermodynamic equilibrium. This project probed mechanochemical means to polymerize select hydrocarbons in the presence of gases, in an attempt to form localized carbon cages that trap gases via repulsive interactions. Aromatic, polyaromatic, and hydroaromatic molecules expected to undergo cyclo-addition reactions were polymerized at high (~GPa) pressures to form extended hydrogenated amorphous carbon networks. Notably, aromatics with a pre-existing internal free volume (such as Triptycene) appeared to retain an internal porosity upon application of pressure. However, a high photoluminescence background after polymerization precluded in situ identification of trapped gases. No spectroscopic evidence was found after depressurization that would be indicative of pockets of trapped gases in a localized high-pressure environment. Control studies suggested this measurement may be insensitive to gases at low pressure. Similarly, no spectral fingerprint was found for gas-imbued spherical carbon nanoshells, even after chemical “capping” of the gas-imbued nanoshells to limit gas diffusivity. Subsequently, spectral probes of gas vibrational modes adsorbed in various carbon nanostructures (including activated carbons, single-wall carbon nanotubes, polymers of intrinsic microporosity (PIMs), and UV-irradiated PIMs with decreased pore size) were found only at high pressure. The vibrational mode of the adsorbed film became perturbed in high density films, and the perturbation was sensitive to surface functional groups, pore size, and pore dimension. Experimental results were corroborated with first-principle modeling using density functional theory. Development of semi-empirical correlations that relate the spectral features to pore dimension, geometry, and chemical potential of the adsorbed film are on-going.

08 HYDROGEN↗
NASA NTRS1986

Thermal environment around the Space Shuttle with hot-gas jets for ice suppression

To prevent prelaunch ice formation on the external tank of the Space Shuttle, the final selected approach is to heat the surrounding air with vertical hot-gas jets located at the launch pad. This approach was considerably more cost-effective than other ice suppression methods considered, although its feasibility was not easily discernible due to the complex flowfield interactions. This paper describes how the use of vertical jets was first evaluated with the aid of a computational fluid dynamics (CFD) technique. An existing general-purpose CFD program (PHOENICS) was used to predict the thermal environment around the Shuttle under various jet configurations and wind conditions. The program accounts for effects of buoyancy, turbulence, and structural obstructions in the flowfield. The computed results showed physically plausible and consistent trends. The wind wake effects were found to be significant, and normally resulted in higher temperatures on the leeward side of the tank. High wind conditions were found to be more severe than calm wind conditions. The use of four jets with two different temperatures was identified as a promising option in which the air temperatures were raised sufficiently to prevent ice formation on the external tank, without excessive increase in Orbiter surface temperature. The use of the numerical model also facilitated the selection of test configurations and a test matrix for verifying the approach. Selected results of an experimental verification (by using a 2 percent scale model in a wind tunnel) are also presented.

Singhal, A. K.↗
NASA NTRS1992

Studies of turbulent shear flows and their control

The intent of the original proposal and the work carried out under the grant was to explore the instabilities of turbulent free shear flows of an incompressible fluid. The purpose for doing so was that coherent instabilities are susceptible to control via upstream forcing and because at sufficient finite amplitudes, the coherent modes enter into nonlinear interactions with the mean motion and thus, through such nonlinear interactions, the control of mixing and of mean flow spreading can be effected through the control of the coherent structures.

Liu, Joseph T. C.↗
NASA NTRS1995

Tracking a turbulent spot in an immersive environment

We describe an interactive, immersive 3D system called Tracktur, which allows a viewer to track the development of a turbulent flow. Tracktur displays time-varying vortex structures extracted from a numerical flow simulation. The user navigates the space and probes the data within a windy 3D landscape. In order to sustain a constant frame rate, we enforce a fixed polygon budget on the geometry. We supplement the interactive system with interactive, hypertext documentation available on the World Wide Web. In actual use by a fluid dynamicist, the system has yielded new insights into the transition to turbulence in a laminar flow.

Banks, David C.↗
DOE OSTI2016

Rapid expulsion of microswimmers by a vortical flow

Interactions of microswimmers with their fluid environment are exceptionally complex. Macroscopic shear flow alters swimming trajectories in a highly nontrivial way and results in dramatic reduction of viscosity and heterogeneous bacterial distributions. Here we report on experimental and theoretical studies of rapid expulsion of microswimmers, such as motile bacteria, by a vortical flow created by a rotating microparticle. We observe a formation of a macroscopic depletion area in a high-shear region, in the vicinity of a microparticle. The rapid migration of bacteria from the shear-rich area is caused by a vortical structure of the flow rather than intrinsic random fluctuations of bacteria orientations, in stark contrast to planar shear flow. Our mathematical model reveals that expulsion is a combined effect of motility and alignment by a vortical flow. Our findings offer a novel approach for manipulation of motile microorganisms and shed light on bacteria-flow interactions.

36 MATERIALS SCIENCE↗
NASA NTRS1993

A new approach to the study of the turbulence layer

Turbulent thermal convection is of considerable importance in fluid dynamical transport phenomena occurring, for example, in the planetary boundary layer of the Earth, the interiors of stars, and accretion disks. In particular, during a significant portion of the evolutionary phase of many stars having convectively unstable cores or outer envelopes, a substantial fraction of energy is transported from the central layers to the outer layers by thermal convection. Moreover, as much of the interior of a star is in highly turbulent motion, a complete theory of stellar structure and evolution requires the explicit consideration of turbulence in order to have expressions for the turbulent quantities arising in the stellar structure equations, and particularly, the turbulent fluxes that appear in the total flux conservation equation, such as the convective flux, kinetic energy flux, etc. A reliable quantification of these fluxes continues to present a challenge in astrophysical fluid dynamics, primarily because astrophysical turbulence is almost always fully-developed and nearly inviscid, and therefore governed by strong nonlinear interactions that distribute the energy among a very wide spectrum of eddies with scales ranging from the characteristic dimension of the flow to those sufficiently small to be affected by viscous dissipation. Furthermore, astrophysical flows are invariably compressible, anisotropic, and inhomogeneous, which requires the consideration of the dynamics of longitudinal modes and their interaction with the transverse modes, as well as complicated boundary conditions. In order to reach a compromise between analytical and numerical tractability and the basic physics of turbulent convection, we have constructed a model of stationary turbulent convection that yields various turbulence statistics, including the convective flux, that are required in stellar evolution models.

Levenson, Ruth A.↗
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↗