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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Interface Pattern Selection in Directional Solidification

The central focus of this research is to establish key scientific concepts that govern the selection of cellular and dendritic patterns during the directional solidification of alloys. Ground-based studies have established that the conditions under which cellular and dendritic microstructures form are precisely where convection effects are dominant in bulk samples. Thus, experimental data can not be obtained terrestrially under pure diffusive regime. Furthermore, reliable theoretical models are not yet possible which can quantitatively incorporate fluid flow in the pattern selection criterion. Consequently, microgravity experiments on cellular and dendritic growth are designed to obtain benchmark data under diffusive growth conditions that can be quantitatively analyzed and compared with the rigorous theoretical model to establish the fundamental principles that govern the selection of specific microstructure and its length scales. In the cellular structure, different cells in an array are strongly coupled so that the cellular pattern evolution is controlled by complex interactions between thermal diffusion, solute diffusion and interface effects. These interactions give infinity of solutions, and the system selects only a narrow band of solutions. The aim of this investigation is to obtain benchmark data and develop a rigorous theoretical model that will allow us to quantitatively establish the physics of this selection process.

Trivedi, Rohit↗
NASA NTRS2005

Propagation of Interplanetary Disturbances in the Outer Heliosphere

Contents include the following: 1. We have developed a one-dimensional, spherically symmetric, multi-fluid MHD model that includes solar wind protons and electrons, pickup ions, and interstellar neutral hydrogen. This model advances the existing solar wind models for the outer heliosphere in two important ways: one is that it distinguishes solar wind protons from pickup ions, and the other is that it allows for energy transfer from pickup ions to the solar wind protons. Model results compare favorably with the Voyager 2 observations. 2. 2. Solar wind slowdown and interstellar neutral density. The solar wind in the outer heliosphere is fundamentally different from that in the inner heliosphere since the effects of interstellar neutrals become significant. 3. ICME propagation from the inner to outer heliosphere. Large coronal mass ejections (CMEs) have major effects on the structure of the solar wind and the heliosphere. The plasma and magnetic field can be compressed ahead of interplanetary CMEs. 4. During the current solar cycle (Cycle 23), several major CMEs associated with solar flares produced large transient shocks which were observed by widely-separated spacecraft such as Wind at Earth and Voyager 2 beyond 60 AU. Using data from these spacecraft, we use the multi-fluid model to investigate shock propagation and interaction in the heliosphere. Specifically, we studied the Bastille Day 2000, April 2001 and Halloween 2003 events. 5. Statistical properties of the solar wind in the outer heliosphere. In a collaboration with L.F. Burlaga of GSFC, it is shown that the basic statistical properties of the solar wind in the outer heliosphere can be well produced by our model. We studied the large-scale heliospheric magnetic field strength fluctuations as a function of distance from the Sun during the declining phase of a solar cycle, using our numerical model with observations made at 1 AU during 1995 as input. 6. Radial heliospheric magnetic field events. The heliospheric magnetic field (HMF) direction, on average, conforms well to the Parker spiral.

Wang, Chi↗
DOE OSTI2014

Free falling and rising of spherical and angular particles

Direct numerical simulations of freely falling and rising particles in an infinitely long domain, with periodic lateral boundary conditions, are performed. The focus is on characterizing the free motion of cubical and tetrahedral particles for different Reynolds numbers, as an extension to the well-studied behaviour of freely falling and rising spherical bodies. The vortical structure of the wake, dynamics of particle movement, and the interaction of the particle with its wake are studied. The results reveal mechanisms of path instabilities for angular particles, which are different from those for spherical ones. The rotation of the particle plays a more significant role in the transition to chaos for angular particles. Following a framework similar to that of Mougin and Magnaudet [“Wake-induced forces and torques on a zigzagging/spiralling bubble,” J. Fluid Mech. 567, 185–194 (2006)], the balance of forces and torques acting on particles is discussed to gain more insight into the path instabilities of angular particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

cDPD: A new dissipative particle dynamics method for modeling electrokinetic phenomena at the mesoscale

In this work, we develop a “charged” dissipative particle dynamics (cDPD) model for simulating mesoscopic electrokinetic phenomena governed by the stochastic Poisson-Nernst-Planck and the Navier-Stokes equations. In particular, the transport equations of ionic species are incorporated into the DPD framework by introducing extra degrees of freedom and corresponding evolution equations associated with each DPD particle. Diffusion of ionic species driven by the ionic concentration gradient, electrostatic potential gradient, and thermal fluctuations is captured accurately via pairwise fluxes between DPD particles. The electrostatic potential is obtained by solving the Poisson equation on the moving DPD particles iteratively at each time step. For charged surfaces in bounded systems, an effective boundary treatment methodology is developed for imposing both the correct hydrodynamic and electrokinetics boundary conditions in cDPD simulations. To validate the proposed cDPD model and the corresponding boundary conditions, we first study the electrostatic structure in the vicinity of a charged solid surface, i.e., we perform cDPD simulations of the electrostatic double layer and show that our results are in good agreement with the well-known mean-field theoretical solutions. Furthermore, we simulate the electrostatic structure and capacity densities between charged parallel plates in salt solutions with different salt concentrations. Moreover, we employ the proposed methodology to study the electro-osmotic and electro-osmotic/pressure-driven flows in a micro-channel. In the latter case, we simulate the dilute poly-electrolyte solution drifting by electro-osmotic flow in a micro-channel, hence demonstrating the flexibility and capability of this method in studying complex fluids with electrostatic interactions at the micro- and nano-scales.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1989

An experimental study of turbine vane heat transfer with leading edge and downstream film cooling

This paper presents the effects of downstream film cooling, with and without leading edge showerhead film cooling, on turbine-vane external heat transfer. Steady-state experimental measurements were made in a three-vane linear two-dimensional cascade. The principal independent parameters were maintained over ranges consistent with actual engine conditions. The test matrix was structured to provide an assessment of the independent influence of parameters of interest, namely, exit Mach number, exit Reynolds number, coolant-to-gas temperature ratio, and coolant-to-gas pressure ratio. The data obtained indicate that considerable cooling benefits can be achieved by utilizing downstream film cooling. The downstream film cooling process was shown to be a complex interaction of two competing mechanisms. The thermal dilution effect, associated with the injection of relatively cold fluid, results in a decrease in the heat transfer to the airfoil. Conversely, the turbulence augmentation, produced by the injection process, results in increased heat transfer to the airfoil.

Nirmalan, V.↗
NASA NTRS2004

Pressure Oscillations and Structural Vibrations in Space Shuttle RSRM and ETM-3 Motors

The complex interactions between internal motor pressure oscillations resulting from vortex shedding, the motor's internal acoustic modes, and the motor's structural vibration modes were assessed for the Space Shuttle four-segment booster Reusable Solid Rocket Motor and for the five-segment engineering test motor ETM-3. Two approaches were applied 1) a predictive procedure based on numerically solving modal representations of a solid rocket motor s acoustic equations of motion and 2) a computational fluid dynamics two-dimensional axi-symmetric large eddy simulation at discrete motor burn times.

Mason, D. R.↗
NASA NTRSDate not supplied

Overview of the Predictive Simulation Capability Element of the Plume Surface Interaction Project

As part of the Game Changing Development (GCD) Program, funded by NASA’s Space Technology Mission Directorate (STMD), the development of simulation capability for the prediction of extra-terrestrial Plume Surface Interaction (PSI) environments has been undertaken by the Fluid Dynamics Branch at NASA/MSFC. The GCD PSI Project, planned to be completed over a four year period, contains a Predictive Simulation Capability (PSC) Element focused on creating simulation capability for the reliable and accurate prediction of PSI in Martian (~650 Pa) and Lunar (vacuum) ambient environments. In addition to the PSC Element, the GCD Program also contains a companion Ground Testing Element for development of focused datasets for validation of predictive capability as well as a Flight-focused Instrumentation Element. This paper describes the PSC Element of the PSI Project as well as providing descriptions of recent accomplishments and remaining work. The overall structure of the PSC Element is broken down into four areas of focus. The first area is the Prediction of Plume Flow in low pressure environments. The development approach taken is the augmentation of the existing production-mode computational fluid dynamics (CFD) tool Loci/Chem, with targeted extensions necessary to accurately model rarefied conditions found in both Martian and Lunar applications. Production readiness and validation of predictive capability are the major objectives of this task. The second area is the effect of mixed continuum/rarefied flow on crater development and ejecta sheets. A new CFD application, Loci/GGFS (Gas Granular Flow Solver), is being developed which implements an Eulerian/Eulerian two-phase model of gas- and soil-phases in order to simulate the soil erosion, crater formation, and soil ejecta transport in a fully coupled simulation. This task seeks to verify Loci/GGFS is production-ready as well as perform validation studies to determine the degree of predictive capability achieved by Loci/GGFS. The third area is focused on the details and extension of particle phase modeling of soil. In this task, Discrete Element Modeling (DEM) techniques are used to perform direct simulations of complex soil particles under the action of forcing similar to that to be cause by PSI. The simulation results are then used to construct closures to the Eulerian model of the soil phase used by Loci/GGFS. The fourth area is gas-particle interaction modeling. In this task, experiments are being conducted as well as detailed simulation results are being studied to further understand the complexities of gas-particle interactions in dilute, intermediate, and high soil volume fraction regimes. Improved models of particle drag and the particle turbulent kinetic energy (PTKE) resulting from the interaction of gas flows within particle clouds are the objective of this task.

Jeff West↗
DOE OSTI2020

Revealing 3D Morphological and Chemical Evolution Mechanisms of Metals in Molten Salt by Multimodal Microscopy

Growing interest in molten salts as effective high-temperature heat-transfer fluids for sustainable energy systems drives a critical need to fundamentally understand the interactions between metals and molten salts. This work utilizes the multimodal microscopy methods of synchrotron X-ray nanotomography and electron microscopy to investigate the 3D morphological and chemical evolution of two-model systems, pure nickel metal and Ni-20Cr binary alloy, in a representative molten salt (KCl-MgCl2 50–50 mol %, 800 °C). In both systems, unexpected shell-like structures formed because of the presence of more noble tungsten, suggesting a potential route of using Ni–W alloys for enhanced molten-salt corrosion resistance. The binary alloy Ni-20Cr developed a bicontinuous porous structure, reassembling functional porous metals manufactured by dealloying. This work elucidates better mechanistic understanding of corrosion in molten salts, which can contribute to the design of more reliable alloys for molten salt applications including next-generation nuclear and solar power plants and opens the possibility of using molten salts to fabricate functional porous materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Multi-physics simulations of particle tracking in arterial geometries with a scalable moving window algorithm

In arterial systems, cancer cell trajectories determine metastatic cancer locations; similarly, particle trajectories determine drug delivery distribution. Predicting trajectories is challenging, as the dynamics are affected by local interactions with red blood cells, complex hemodynamic flow structure, and downstream factors such as stenoses or blockages. Direct simulation is not possible, as a single simulation of a large arterial domain with explicit red blood cells is currently intractable on even the largest supercomputers. To overcome this limitation, we present a multi-physics adaptive window algorithm, in which individual red blood cells are explicitly modeled in a small region of interest moving through a coupled arterial fluid domain. We describe the coupling between the window and fluid domains, including automatic insertion and deletion of explicit cells and dynamic tracking of cells of interest by the window. We show that this algorithm scales efficiently on heterogeneous architectures and enables us to perform large, highly-resolved particle-tracking simulations that would otherwise be intractable.

Herschlag, Gregory↗
DOE OSTI2019

Isovalent Alloying and Heterovalent Substititution as Routes to Accelerate the Development and Optimization of Super-Efficient Halide Perovskite PV Solar Cells

Halide perovskites represent one of the fastest growing photovoltaic (PV) device technologies in the last decade, with research efficiencies among the highest confirmed. However, the research needed to advance tandem perovskite solar cells requires a specialized understanding base, but there is no such base for this young group of materials with the same depth as in semiconductor alloy research. Whereas IV-IV, II-V and II-VI semiconductors have a sophisticated science foundation refined over decades due of their use in electronics, lasers, LEDs and night vision applications, this is not yet the case for halide perovskites. At the same time, these materials behave rather differently than conventional semiconductors. Within the rapidly unfolding field of PV, the emerging halide-perovskite alloy research has largely been based on empiricism. Clearly, a concerted and comprehensive application to halide perovskite alloys of the modern quantum theory of solids brought us over the years a broad understanding of the critical factors enabling conventional inorganic PV could leapfrog the Edisonian, trial-and-error search for solutions to critical problems that are poorly understood. These theory approaches are required to accelerate the progress toward commercially ready hybrid-perovskites by providing a theory-guided experiment component to the EERE investments in this high-priority R&D. During this project we have studied three different rungs on the ladder of knowledge about hybrid perovskites. This kind of single halide perovskites represent the first level of development (rung 1) of solar cells, and includes materials such as APbI 3 , ASnI 3 , APbBr 3 , ASnBr 3 with different A cations, such as methylammonium (MA) with formamidinium (FM). Rung 2 is obtained by mixing B cations (Sn and Pb), and X anions (Cl and Br or I) producing a disordered alloy (A, A’)(M,M’)(X,X’) 3 -space. The most advanced rung corresponds to heterovalent-substitution of halide perovskites, creating an ordered double-perovskite compound. Although the focus of the project was on Rungs 2 and 3, we have made important discoveries regarding the nature of pure perovskites. We’ve observed that cubic perovskites should be modeled by a polymorphous network, instead of the basic single unit cell approach. This leads to the conclusion that perovskites have a fluid-like nature. An article regarding this work has been submitted to Nature Materials. Using the approach described above, we have also simulated alloys of halide perovskites, representing rung 2. We have focused on mixtures of [Cs,FA][Sn,Pb]I 3 with different concentrations, being able to disentangle the structural and electronic factors that determines the variation (bowing) of properties such as band gaps, mixing enthalpies and decomposition energies. For rung 3 compounds, we’ve closely interacted with experimental groups clarifying the chemical routes to obtain a certain compound, and what should be the most stable structure for them. As the final product, and consequent dissemination of the research, we’ve submitted two papers for publication, that are currently under evaluation. The interaction with experimental groups was also an important focus. We have participated in several local, national and international meetings, and reached out more closely to groups from CU Boulder and Arkansas.

14 SOLAR ENERGY↗
DOE OSTI2020

Variational nonlinear WKB in the Eulerian frame

Nonlinear WKB is a multiscale technique for studying locally plane-wave solutions of nonlinear partial differential equations (PDEs). Its application comprises two steps: (1) replacement of the original PDE with an extended system separating the large scales from the small and (2) reduction of the extended system to its slow manifold. In the context of variational fluid theories with particle relabeling symmetry, nonlinear WKB in the mean Eulerian frame is known to possess a variational structure. This much has been demonstrated using, for instance, the theoretical apparatus known as the generalized Lagrangian mean. On the other hand, the variational structure of nonlinear WKB in the conventional Eulerian frame remains mysterious. By exhibiting a variational principle for the extended equations from step (1) above, here we demonstrate that nonlinear WKB in the Eulerian frame is in fact variational. Remarkably, the variational principle for the extended system admits loops of relabeling transformations as a symmetry group. Noether’s theorem therefore implies that the extended Eulerian equations possess a family of circulation invariants parameterized by S 1 . As an illustrative example, we use our results to systematically deduce a variational model of high-frequency acoustic waves interacting with a larger-scale compressible isothermal flow.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Hyperdiffusive dynamics in Newtonian nanoparticle fluids [Hyperdiffusive dynamics in equilibrated nanoparticle fluids]

Hyperdiffusive relaxations in soft glassy materials are typically associated with out-of-equilibrium states, and non-equilibrium physics and aging are often invoked in explaining their origins. Here, we report on hyperdiffusive motion in a model, equilibrium soft material comprised of single-component polymer-tethered-nanoparticles. In these materials, polymer mediated interactions lead to strong nanoparticle correlations, hyperdiffusive relaxations, and unusual variations of properties with temperature. Our experimental observations complement the current hypothesis that hyperdiffusive relaxations in soft materials require the material to exist in out–of–equilibrium states capable of driving structural rearrangements. Lastly, we propose alternatively that hyperdiffusive relaxations in our materials can arise naturally from volume fluctuations brought about by equilibrium thermal forces.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Interplay of Surface Energy and Bulk Thermodynamic Forces in Ordered Block Copolymer Droplets

The wetting state of a simple liquid on a solid substrate, as summarized by Young's equation, is dictated by the interfacial energies of the different phases that coexist in the system. For simple fluids, rotational symmetry gives rise to symmetric droplets around the axis perpendicular to the substrate. This is not the case for nanostructured fluids, such as block copolymers, where the inherent thermodynamic ordering forces compete with surface tension. This competition is particularly important in nanoscale droplets, where the size of the droplets is a small multiple of the natural periodicity of the block copolymer in the bulk. In the nanoscale regime, droplet shape and internal structure arise from a subtle interplay between interfacial and bulk contributions to the free energy. In this work, we examine the consequences of surface-polymer interaction energies on droplet morphology through a concerted simulation and experimental effort. When the block copolymer is deposited on a neutral substrate we find non-circular arrangements with perpendicular domains. However, when a preferential substrate is used, the resulting morphology depends on droplet size. In large droplets, we observe bottle cap-shaped structures with a ring of perpendicular domains along the perimeter, while small droplets exhibit stripes of perpendicular domains.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Insight into the assembly of lipid-hyaluronan complexes in osteoarthritic conditions

Interactions between molecules in the synovial fluid and the cartilage surface may play a vital role in the formation of adsorbed films that contribute to the low friction of cartilage boundary lubrication. Osteoarthritis (OA) is the most common degenerative joint disease. Previous studies have shown that in OA-diseased joints, hyaluronan (HA) not only breaks down resulting in a much lower molecular weight (MW), but also its concentration is reduced ten times. Here, we have investigated the structural changes of lipid-HA complexes as a function of HA concentration and MW to simulate the physiologically relevant conditions that exist in healthy and diseased joints. Small angle neutron scattering and dynamic light scattering were used to determine the structure of HA-lipid vesicles in bulk solution, while a combination of atomic force microscopy and quartz crystal microbalance was applied to study their assembly on a gold surface. We infer a significant influence of both MW and HA concentrations on the structure of HA-lipid complexes in bulk and assembled on a gold surface. Our results suggest that low MW HA cannot form an amorphous layer on the gold surface, which is expected to negatively impact the mechanical integrity and longevity of the boundary layer and could contribute to the increased wear of the cartilage that has been reported in joints diseased with OA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Niowave Neutron Source Converter: Lead-Bismuth-Eutectic (LBE) Windowless Target Design and Evaluation

Los Alamos National Laboratory (LANL) is working with Niowave on the design and evaluation of their lead-bismuth-eutectic (LBE) windowless target (i.e., neutron source converter). Niowave plans to use 200 kW electron beam at 40 MeV beam energy to produce neutrons by photonuclear reaction with LBE. Then, the neutrons undergo fission at the surrounding uranium target assembly (UTA) to produce Molybdenum 99 (Mo-99) as a fission product, which eventually decays to Technetium-99 (Tc-99m). Tc-99m is one of important radioisotopes that is used for medical diagnostics. LANL conducted 3D multiphysics analysis for the Niowave neutron converter design and provided design assessment in thermohydraulic aspects. LANL conducted radiation transport calculations using Monte-Carlo N-Particle (MCNP) code with unstructured meshing scheme. The 3D volumetric heating profiles in the LBE and Stainless-Steel (SS) housing were imported into multiphase computational fluid dynamics (CFD) to obtain 3D temperature profiles of LBE and SS through conjugate heat transfer (CHT) analysis. The key findings are: LBE film thickness at the center of the beam is approximately 1.6 cm with a maximum LBE velocity of approximately 1.8 m/s, which is below a 2 m/s limit to avoid erosion issues on supporting structures; Heat deposition in the LBE peaks at ~1 cm depth from the LBE free-surface because of the forward interactions of electron, photon, and neutron with LBE; LBE maximum temperature is ~360 °C, which is below LBE evaporation initiative temperature, ~450 °C; LBE-SS interface temperature is ~350 °C, which is below the safety thermal limit to prevent severe corrosion on SS. The results indicate that Niowave’s neutron converter design satisfies both hydraulic and thermal criteria for safe operation. By virtue of such computational analysis, Niowave can move toward establishing an experimental setup to experimentally test their LBE neutron converter. The following sections describe the detailed work done by LANL.

43 PARTICLE ACCELERATORS↗
NASA NTRS1980

Strongly turbulent stabilization of electron beam-plasma interactions

The stabilization of electron beam interactions due to strongly turbulent nonlinearities is studied analytically and numerically for a wide range of plasma parameters. A fluid mode coupling code is described in which the effects of electron and ion Landau damping and linear growth due to the energetic electron beam are included in a phenomenological manner. Stabilization of the instability is found to occur when the amplitudes of the unstable modes exceed the threshold of the oscillating two-stream instability. The coordinate space structure of the turbulent spectrum which results clearly shows that soliton-like structures are formed by this process. Phenomenological models of both the initial stabilization and the asymptotic states are developed. Scaling laws between the beam-plasma growth rate and the fluctuations in the fields and plasma density are found in both cases, and shown to be in good agreement with the results of the simulation.

Freund, H. P.↗
NASA NTRS1992

NASA Lewis steady-state heat pipe code users manual

The NASA Lewis heat pipe code was developed to predict the performance of heat pipes in the steady state. The code can be used as a design tool on a personal computer or with a suitable calling routine, as a subroutine for a mainframe radiator code. A variety of wick structures, including a user input option, can be used. Heat pipes with multiple evaporators, condensers, and adiabatic sections in series and with wick structures that differ among sections can be modeled. Several working fluids can be chosen, including potassium, sodium, and lithium, for which monomer-dimer equilibrium is considered. The code incorporates a vapor flow algorithm that treats compressibility and axially varying heat input. This code facilitates the determination of heat pipe operating temperatures and heat pipe limits that may be encountered at the specified heat input and environment temperature. Data are input to the computer through a user-interactive input subroutine. Output, such as liquid and vapor pressures and temperatures, is printed at equally spaced axial positions along the pipe as determined by the user.

Tower, Leonard K.↗
NASA NTRS2011

OVERFLOW Validation for Predicting Plume Impingement of Underexpanded Axisymmetric Jets onto Angled Flat Plates

This report documents how OVERFLOW, a computational fluid dynamics code, predicts plume impingement of underexpanded axisymmetric jets onto both perpendicular and inclined flat plates. The effects of the plume impinging on a range of plate inclinations varying from 90deg to 30deg are investigated and compared to the experimental results in Reference 1 and 2. The flow fields are extremely complex due to the interaction between the shock waves from the free jet and those deflected by the plate. Additionally, complex mixing effects create very intricate structures in the flow. The experimental data is very limited, so these validation studies will focus only on cold plume impingement on flat and inclined plates. This validation study will help quantify the error in the OVERFLOW simulation when applied to stage separation scenarios.

Lee, Henry C.↗