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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Frozen-Flux Modelling for Epochs 1915 and 1980

The frozen-flux hypothesis for the Earth's liquid core assumes that convective terms dominate diffusive terms in the induction equation governing the behaviour of the magnetic field at the surface of the core. While highly plausible on the basis of estimates of physical parameters, the hypothesis has been questioned. To study this hypothesis, we improve the method which tests the consistency of magnetic observations with the hypothesis by constructing simple, flux-conserving core-field models fitting the data at pairs of epochs. We introduce a new approach that fixes the patch configurations at each of the two epochs before inversion, so that each configuration is consistent with its respective data set but possesses the same patch topology. We expand upon the inversion algorithm, using quadratic programming to maintain the proper flux sign within patches; the modelling calculations are also extended to include data types that depend non-linearly on the model. Every test of a hypothesis depends on the characterization of the observational uncertainties; we undertake a thorough review of this question. For main-field models, the primary source of uncertainty comes from the crustal field. We base our analysis on statistical models of the crustal magnetization, adjusted to bring it into better conformity with our data set. The noise model permits us to take into account the correlations between the measurements and requires that a different weighting be given to horizontal and vertical components. It also indicates that the observations should be fit more closely than has been the practice heretofore. We apply the revised method to Magsat data from 1980 and survey and observatory data from 1915.5, two data sets believed to be particularly difficult to reconcile with the frozen-flux hypothesis. We compute a pair of simple, flux-conserving models that fit the averaged data from each epoch. We therefore conclude that present knowledge of the geomagnetic fields of 1980 and 1915.5 is consistent with the frozen-flux hypothesis.

OBrien, Michael S.↗
NASA NTRS2009

A Reconstruction Approach to High-Order Schemes Including Discontinuous Galerkin for Diffusion

We introduce a new approach to high-order accuracy for the numerical solution of diffusion problems by solving the equations in differential form using a reconstruction technique. The approach has the advantages of simplicity and economy. It results in several new high-order methods including a simplified version of discontinuous Galerkin (DG). It also leads to new definitions of common value and common gradient quantities at each interface shared by the two adjacent cells. In addition, the new approach clarifies the relations among the various choices of new and existing common quantities. Fourier stability and accuracy analyses are carried out for the resulting schemes. Extensions to the case of quadrilateral meshes are obtained via tensor products. For the two-point boundary value problem (steady state), it is shown that these schemes, which include most popular DG methods, yield exact common interface quantities as well as exact cell average solutions for nearly all cases.

Huynh, H. T.↗
NASA NTRSDate not supplied

Comparisons of Mixing Efficiency for the Strut Fuel Injector Obtained from Large-Eddy and Reynolds-Averaged Simulations, and Experiments

Mixing efficiency is obtained for a strut fuel injector at hypervelocity flow conditions by using large-eddy simulations (LES), Reynolds-averaged simulations (RAS), and experiments. The injector and flow conditions have been previously investigated by using RAS and experiments as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center (LaRC). Because the fidelity of LES is a strong function of the grid, the mixing efficiency is obtained on two grids, the coarser of which is a factor of two coarser in each of the three dimensions with respect to the fine grid. The RAS uses the two-equation linear eddy viscosity and diffusivity modeling of Menter. In RAS, the species diffusivity model exhibits a strong dependence on the turbulent Schmidt number, which is often adjusted until some metric of engineering interest, such as the mixing efficiency, matches the experimental data. In the absence of experimental data, scale-resolving simulations, such as LES, have been proposed as surrogates for experiments that could provide the data needed to “calibrate” the turbulent Schmidt number in the RAS models. This approach is followed because LES requires significantly more computational resources (CPU, data storage, and time) than RAS, making it prohibitive for use in many engineering applications and specifically for parameter exploration or optimization. Here we examine the mixing efficiency obtained from several RAS with different values of the turbulent Schmidt number, and compare the results with those obtained from the LES and experiments. In addition, the least squares fitting approach was used to demonstrate how to obtain an estimate for the turbulent Schmidt number from LES analytically. These estimates were then used together with prior knowledge about RAS model sensitivity to select a turbulence model that was expected to best match the LES data.

LES↗
NASA NTRSDate not supplied

Comparisons of Mixing Efficiency for the Strut Fuel Injector Obtained from Large-Eddy and Reynolds-Averaged Simulations, and Experiments

Mixing efficiency is obtained for a strut fuel injector at hypervelocity flow conditions by using large-eddy simulations (LES), Reynolds-averaged simulations (RAS), and experiments. The injector and flow conditions have been previously investigated by using RAS and experiments as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center (LaRC). Because the fidelity of LES is a strong function of the grid, the mixing efficiency is obtained on two grids, the coarser of which is a factor of two coarser in each of the three dimensions with respect to the fine grid. The RAS uses the two-equation linear eddy viscosity and diffusivity modeling of Menter. In RAS, the species diffusivity model exhibits a strong dependence on the turbulent Schmidt number, which is often adjusted until some metric of engineering interest, such as the mixing efficiency, matches the experimental data. In the absence of experimental data, scale-resolving simulations, such as LES, have been proposed as surrogates for experiments that could provide the data needed to “calibrate” the turbulent Schmidt number in the RAS models. This approach is followed because LES requires significantly more computational resources (CPU, data storage, and time) than RAS, making it prohibitive for use in many engineering applications and specifically for parameter exploration or optimization. Here we examine the mixing efficiency obtained from several RAS with different values of the turbulent Schmidt number, and compare the results with those obtained from the LES and experiments. In addition, the least squares fitting approach was used to demonstrate how to obtain an estimate for the turbulent Schmidt number from LES analytically. These estimates were then used together with prior knowledge about RAS model sensitivity to select a turbulence model that was expected to best match the LES data.

LES↗
NASA NTRSDate not supplied

Simulations of the Modular Axisymmetric Scramjet Test Rig Under Reacting Flow Conditions

Simulations of the Air Force Research Laboratory (AFRL) Modular Axisymmetric Scramjet Test Rig (MASTeR) are presented. MASTeR is a parametric test article capable of investigating various scramjet cavity flameholder designs and fueling strategies with the goal to characterize and optimize flameholding capability. In the current work, three cavity aspect ratios, and two fueling strategies (upstream and in-cavity) with ethylene at a nominal facility pressure and temperature condition are evaluated. The reacting simulations are performed, and the resulting flow characteristics are discussed. For each configuration and fueling strategy, cavity residence time, entrainment rate, and fuel-air equivalence ratio are computed. The MASTeR geometry is defined in Engineering Sketch Pad (ESP) and the simulations use a sketch-to-solution (S2S) automated unstructured grid adaptation tool in VULCAN-CFD. This tool automatically generates a simulation grid from the ESP geometry and systematically adapts it to the numerical solution based on the Hessian error estimate of a specified flow field parameter. Reynolds averaged simulations (RAS) are used with a two-equation linear eddy viscosity and diffusivity model. The resulting database can be compared with the experimental data as those become available, and explored to develop models for cavity performance for scramjet propulsion design applications.

hypersonics↗
NASA NTRSDate not supplied

Simulations of the Modular Axisymmetric Scramjet Test Rig Under Reacting Flow Conditions

Simulations of the Air Force Research Laboratory (AFRL) Modular Axisymmetric Scramjet Test Rig (MASTeR) are presented. MASTeR is a parametric test article capable of investigating various scramjet cavity flameholder designs and fueling strategies with the goal to characterize and optimize flameholding capability. In the current work, three cavity aspect ratios, three depths, and two fueling strategies (upstream and in-cavity) with ethylene at a nominal facility pressure and temperature conditions are evaluated. The simulations are performed for mixing-only and reacting flows, and the resulting flow characteristics are compared. For each configuration and fueling strategy, cavity residence time, entrainment rate, and fuel-air equivalence ratio are computed. The MASTeR geometry is defined in the Engineering Sketch Pad (ESP) and the simulations use a sketch-to-solution (S2S) automated unstructured grid adaptation tool in VULCAN-CFD. This tool automatically generates a simulation grid from the ESP geometry and systematically adapts it to the numerical solution based on the Hessian error estimate of a specified flow field parameter. Reynolds averaged simulations (RAS) are used with typical two-equation linear eddy viscosity and diffusivity model. The resulting database can be compared with the experimental data as those becomes available and explored to develop models for cavity performance for scramjet propulsion design applications.

hypersonics↗
DOE OSTI2014

Molecular Dynamics Simulation of Thermodynamic Properties in Uranium Dioxide

In the present study, we investigated the thermodynamic properties of uranium dioxide (UO2) by molecular dynamics (MD) simulations. As for solid UO2, the lattice parameter, density, and enthalpy obtained by MD simulations were in good agreement with existing experimental data and previous theoretical predictions. The calculated thermal conductivities matched the experiment results at the midtemperature range but were underestimated at very low and very high temperatures. The calculation results of mean square displacement represented the stability of uranium at all temperatures and the high mobility of oxygen toward 3000 K. By fitting the diffusivity constant of oxygen with the Vogel-Fulcher-Tamman law, we noticed a secondary phase transition near 2006.4 K, which can be identified as a ‘‘strong’’ to ‘‘fragile’’ supercooled liquid or glass phase transition in UO2. By fitting the oxygen diffusion constant with the Arrhenius equation, activation energies of 2.0 and 2.7 eV that we obtained were fairly close to the recommended values of 2.3 to 2.6 eV. Xiangyu Wang, Bin Wu, Fei Gao, Xin Li, Xin Sun, Mohammed A. Khaleel, Ademola V. Akinlalu and Li Liu

Computer Simulation↗
DOE OSTI2012

Potential of pin-by-pin SPN calculations as an industrial reference

This paper aims at analysing the potential of pin-by-pin SP{sub n} calculations to compute the neutronic flux in PWR cores as an alternative to the diffusion approximation. As far as pin-by-pin calculations are concerned, a SPH equivalence is used to preserve the reactions rates. The use of SPH equivalence is a common practice in core diffusion calculations. In this paper, a methodology to generalize the equivalence procedure in the SP{sub n} equations context is presented. In order to verify and validate the equivalence procedure, SP{sub n} calculations are compared to 2D transport reference results obtained with the APOLL02 code. The validation cases consist in 3x3 analytical assembly color sets involving burn-up heterogeneities, UOX/MOX interfaces, and control rods. Considering various energy discretizations (up to 26 groups) and flux development orders (up to 7) for the SP{sub n} equations, results show that 26-group SP{sub 3} calculations are very close to the transport reference (with pin production rates discrepancies < 1%). This proves the high interest of pin-by-pin SP{sub n} calculations as an industrial reference when relying on 26 energy groups combined with SP{sub 3} flux development order. Additionally, the SP{sub n} results are compared to diffusion pin-by-pin calculations, in order to evaluate the potential benefit of using a SP{sub n} solver as an alternative to diffusion. Discrepancies on pin-production rates are less than 1.6% for 6-group SP{sub 3} calculations against 3.2% for 2-group diffusion calculations. This shows that SP{sub n} solvers may be considered as an alternative to multigroup diffusion. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Relativistic mixtures of charged and uncharged particles

Mixtures of relativistic gases within the framework of Boltzmann equation are analyzed. Three systems are considered. The first one refers to a mixture of uncharged particles by using Grad’s moment method, where the relativistic mixture is characterized by the moments of the distribution functions: particle four-flows, energy-momentum tensors, and third-order moment tensors. In the second Fick’s law for a mixture of relativistic gases of non-disparate rest masses in a Schwarzschild metric are derived from an extension of Marle and McCormack model equations applied to a relativistic truncated Grad’s distribution function, where it is shown the dependence of the diffusion coefficient on the gravitational potential. The third one consists in the derivation of the relativistic laws of Ohm and Fourier for a binary mixtures of electrons with protons and electrons with photons subjected to external electromagnetic fields and in presence of gravitational fields by using the Anderson and Witting model of the Boltzmann equation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Pressure flux-split viscous solutions for subsonic diffusers

A method for predicting flow in diffusers with inlet swirl has been developed. Solutions of the pressure flux-split Reduced Navier Stokes (RNS) equations are obtained for flows in axisymmetric diffusers. Viscous-Inviscid interactions and flow fields with toroidal recirculation regions are efficiently captured. The computational model is verified by comparision with experimental data and other computations. The extreme sensitivity to grid, turbulent closure model and inlet profiles is discussed.

Pordal, H. S.↗
DOE OSTI2016

New insights on the formation of supersaturated Cu-Nb solid solution prepared by mechanical alloying

The deformation-driven alloying mechanisms in the immiscible Cu-Nb system during mechanical alloying (MA) process have been studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) observations. It is found that the dominating alloying mechanism changes at the different stages of milling. Initially, the alloying process is mainly governed by interfaces and dislocations, which supply fast diffusion channels between phases. In the intermediate stage, Nb particles with sizes below 8 nm undergo a bcc to fcc allotropic transformation, and the interdiffusion between fcc-Nb and fcc-Cu is promoted due to the similarity of lattice structures. Further milling generates disclination defects, which contribute to the formation of fragments or subgrains with sizes below 5 nm. The introduction of such defects and fragments benefits the formation of a complete Cu-Nb solid solution. The formation kinetics of solid solution is analyzed by Johnson-Mehl-Avrami equation, which suggests that the speed of the diffusion of Nb atoms into Cu is very slow. - Highlights: •The bcc to fcc transformation in Nb nanoparticles promotes diffusion process. •The formation of fragments with sizes below 5 nm is attributed to the disclination defects. •Defect-assisted diffusion is responsible for the alloying process.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Diffusion Blurring of GaAs Quantum Wells Grown at Low Temperature

The processes of the diffusion blurring of a periodic system of GaAs quantum wells separated by AlGaAs barriers are studied by photoluminescence spectroscopy. The system is grown by molecular-beam epitaxy at a low temperature (200°C) and additionally doped with Sb and P isovalent impurities. Postgrowth annealing at the temperature 750°C for 30 min induces an increase in the energy corresponding to the photoluminescence peak of the e1–hh1 exciton state in quantum wells because of blurring of the epitaxial GaAs/AlGaAs interfaces due to enhanced Al–Ga interdiffusion in the cation sublattice. For the Al concentration profile defined by linear diffusion into quantum wells, the Schrödinger equation for electrons and holes is solved. It is found that the experimentally observed energy position of the photoluminescence peak corresponds to the Al–Ga interdiffusion length 3.4 nm and to the effective diffusion coefficient 6.3 × 10{sup –17} cm{sup 2} s{sup –1} at the temperature 750°C. This value is found to be close to the corresponding value for GaAs quantum wells grown at low temperatures without additional doping with Sb and P impurities. From the results obtained in the study, it is possible to conclude that enhanced As–Sb and As–P interdiffusion in the anion sublattice only slightly influences the processes of Al–Ga interdiffusion in the cation sublattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Modeling and calculation of turbulent transport in free-shear flows

In this work the applicability of the combined bulk convection and gradient transport hypotheses for modeling turbulent diffusion is investigated. The resulting model equation, namely the one-equation model, is solved for free-shear flows by an implicit finite-difference method. Results indicate that significant improvements over previous models can be achieved with this new formulation of turbulent diffusion for both heat and momentum transport.

Biringen, S.↗
NASA NTRS1993

Mass loading and velocity diffusion models for heavy pickup ions at comet Grigg-Skjellerup

We compare model predictions of cometary water group ion densities and the solar wind slow down with measurements made by the Giotto Johnstone plasma analyzer implanted ion sensor at the encounter with comet Grigg-Skjellerup (G-S) on July 10, 1992. The observed slope of the ion density profile on approach to the comet is unexpectedly steep. Possible explanations for this are discussed. We present also a preliminary investigation of the quasilinear velocity-space diffusion of the implanted heavy ion population at G-S using a transport equation including souce, convection, adiabatic compression, and velocity diffusion terms. Resulting distributions are anisotropic, in agreement with observations. We consider theoretically the waves that may be generated by the diffusion process for the observed solar wind conditions. At initial ion injections, waves are generated at omega approximately Omega(sub i) the ion gyrofrequency, and lower frequencies are predicted for diffusion toward a bispherical shell.

Huddleston, D. E.↗
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↗
DOE OSTI2018

Concurrent implicit spectral deferred correction scheme for low-Mach number combustion with detailed chemistry

We present a parallel multi-implicit time integration scheme for the advection-diffusion-reaction systems arising from the equations governing low-Mach number combustion with complex chemistry. Here, our strategy employs parallelisation across the method to accelerate the serial Multi-Implicit Spectral Deferred Correction (MISDC) scheme used to couple the advection, diffusion, and reaction processes. In our approach, the diffusion solves and the reaction solves are performed concurrently by different processors. Our analysis shows that the proposed parallel scheme is stable for stiff problems and that the sweeps converge to the fixed-point solution at a faster rate than with serial MISDC. We present numerical examples to demonstrate that the new algorithm is high-order accurate in time, and achieves a parallel speedup compared to serial MISDC.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

Combustion Of Moving Droplets And Of Droplets Suspended Within A Convective Environment: Transient Numerical Results

The problem considered is that of a single-component liquid fuel (n-heptane) droplet undergoing evaporation and combustion in a hot, convective, low pressure, zero-gravity environment of infinite expanse. For a moving droplet, the relative velocity (U(sub infinity)) between the droplet and freestream is subject to change due to the influence of the drag force on the droplet. For a suspended droplet, the relative velocity is kept constant. The governing equations for the gas-phase and the liquid-phase consist of the unsteady, axisymmetric equations of mass, momentum, species (gas-phase only) and energy conservation. Interfacial conservation equations are employed to couple the two phases. Variable properties are used in the gas- and liquid-phase. Multicomponent diffusion in the gas-phase is accounted for by solving the Stefan-Maxwell equations for the species diffusion velocities. A one-step overall reaction is used to model the combustion. The governing equations are discretized using the finite volume and SIMPLEC methods. A colocated grid is adopted. Hyperbolic tangent stretching functions are used to concentrate grid points near the fore and aft lines of symmetry and at the droplet surface in both the gas- and liquid-phase. The discretization equations are solved using the ADI method with the TDMA used on each line of the two alternating directions. Iterations are performed within each time-step until convergence is achieved. The grid spacing, size of the computational domain and time-step were tested to ensure that all solutions are independent of these parameters. A detailed discussion of the numerical model is given.

Gogos, George↗
DOE OSTI2021

Loss and Isotopic Fractionation of Alkali Elements during Diffusion-Limited Evaporation from Molten Silicate: Theory and Experiments

Moderately volatile elements (MVEs) are variably depleted in planetary bodies, reflecting the imprints of nebular and planetary processes. Among MVEs, Na, K, and Rb are excellent tracers for unraveling the history of MVE depletion in planetary bodies because they have similar geochemical behaviors but can be chemically fractionated by evaporation and condensation processes. Furthermore, K and Rb are amenable to high-precision isotopic analyses, which can help constrain the conditions of evaporation and condensation. To quantitatively understand why Na, K, and Rb are depleted in planetary bodies, we have carried out vacuum evaporation experiments from basaltic melt at 1200 and 1400 °C to study their evaporation kinetics and isotopic fractionations. We chose this composition because it is relevant to evaporation from small differentiated planetesimals. The Rb isotopic compositions of the evaporation residues were measured by multicollector inductively coupled plasma mass spectrometry (MC-ICPMS), and the K isotopic compositions were measured along profiles across the residues by secondary ion mass spectrometry (SIMS). In the 1400 °C run products, we found that the concentrations of both K and Rb in the run products decreased from core to rim, which was accompanied by a heavy K isotope enrichment near the surface. This indicates that, in this run, evaporation was limited by diffusion. To use those data quantitatively, we derive analytical equations that describe the evaporation rate and isotopic fractionation associated with diffusion-limited evaporation from a sphere, slab, and cylinder in transient and quasi-steady state regimes. This model is used to tease out the roles that diffusive transport in the melt and evaporation at the melt/gas interface play in setting the elemental depletion and isotopic composition of the residue. Under our experimental conditions, volatility decreases in the order of Na, Rb, and K. Using our experimental results in a thermodynamic model, we have estimated the product γΓ of activity coefficients × evaporation coefficients of Na, Rb, and K. The measured isotopic compositions of the residues are well explained using Rayleigh distillations, whereby the relative volatilities of K and Rb isotopes are given by the square root of their masses. We use our results and previously published data to predict how K and Rb could have been lost as a function of temperature, melt composition, oxygen fugacity, and saturation degree relevant to Vesta’s building blocks. We find that the K and Rb depletions, K/Rb elemental fractionation, and δ 41 K and δ 87 Rb isotopic fractionations of Vesta (as sampled by howardite-eucrite-diogenite (HED) meteorites) are best explained by evaporation of submillimeter size objects for 0.1-10 years at moderate temperatures (~1050 °C) in a medium ~98.8% saturated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗