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At least 847 records · Page 47

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NASA NTRS1981

Flow aerodynamics modeling of an MHD swirl combustor - Calculations and experimental verification

The paper describes a computer code for calculating the flow dynamics of a constant-density flow in the second-stage trumpet shaped nozzle section of a two-stage MHD swirl combustor for application to a disk generator. The primitive pressure-velocity variable, finite-difference computer code has been developed for the computation of inert nonreacting turbulent swirling flows in an axisymmetric MHD model swirl combustor. The method and program involve a staggered grid system for axial and radial velocities, and a line relaxation technique for the efficient solution of the equations. The code produces as output the flow field map of the nondimensional stream function, axial and swirl velocity. It was found that the best location for seed injection to obtain a uniform distribution at the combustor exit is in the central location for seed injected at the entrance to the second stage combustor.

Gupta, A. K.↗

NASA NTRS1984

Use of shape-preserving interpolation methods in surface modeling

In many large-scale scientific computations, it is necessary to use surface models based on information provided at only a finite number of points (rather than determined everywhere via an analytic formula). As an example, an equation of state (EOS) table may provide values of pressure as a function of temperature and density for a particular material. These values, while known quite accurately, are typically known only on a rectangular (but generally quite nonuniform) mesh in (T,d)-space. Thus interpolation methods are necessary to completely determine the EOS surface. The most primitive EOS interpolation scheme is bilinear interpolation. This has the advantages of depending only on local information, so that changes in data remote from a mesh element have no effect on the surface over the element, and of preserving shape information, such as monotonicity. Most scientific calculations, however, require greater smoothness. Standard higher-order interpolation schemes, such as Coons patches or bicubic splines, while providing the requisite smoothness, tend to produce surfaces that are not physically reasonable. This means that the interpolant may have bumps or wiggles that are not supported by the data. The mathematical quantification of ideas such as physically reasonable and visually pleasing is examined.

Ftitsch, F. N.↗

NASA NTRS1989

Calculation of real-gas effects on blunt-body trim angles

The effect of vibrational excitation and dissociation at high temperatures on the trim angle of attack of a blunt lifting body is calculated for a nonequilibrium flow regime in air using a CFD technique. The vibrational-electronic temperature and the species densities are calculated assuming the flow to be in a nonequilibrium state. The forebody flow of a two-dimensional blunt body of the shape of the Apollo Command Module at a finite angle of attack is calculated. The results show that the pitching moment around a reference point is larger and the trim angle of attack is smaller for a reacting gas than for a perfect gas. The calculated shift in the trim angle due to the real-gas effect is of the same order as that seen during the Apollo flights.

Park, Chul↗

NASA NTRS1989

Calculations of the flow properties of a confined diffusion flame

A finite element algorithm for the computation of confined, axisymmetric, turbulent diffusion flames is developed. The mean mixture properties were obtained by three methods based on diffusion flame concept: without using a probability density function (PDF), with a double-delta PDF, and with a beta PDF. A comparison is made for the combustion models, and the effect of turbulence on combustion are discussed.

Kim, Yongmo↗

NASA NTRS1991

The study of PDF turbulence models in combustion

In combustion computations, it is known that the predictions of chemical reaction rates are poor if conventional turbulence models are used. The probability density function (pdf) method seems to be the only alternative that uses local instantaneous values of the temperature, density, etc., in predicting chemical reaction rates, and thus is the only viable approach for more accurate turbulent combustion calculations. The fact that the pdf equation has a very large dimensionality renders finite difference schemes extremely demanding on computer memories and thus impractical. A logical alternative is the Monte Carlo scheme. Since CFD has a certain maturity as well as acceptance, it seems that the use of a combined CFD and Monte Carlo scheme is more beneficial. Therefore, a scheme is chosen that uses a conventional CFD flow solver in calculating the flow field properties such as velocity, pressure, etc., while the chemical reaction part is solved using a Monte Carlo scheme. The discharge of a heated turbulent plane jet into quiescent air was studied. Experimental data for this problem shows that when the temperature difference between the jet and the surrounding air is small, buoyancy effect can be neglected and the temperature can be treated as a passive scalar. The fact that jet flows have a self-similar solution lends convenience in the modeling study. Futhermore, the existence of experimental data for turbulent shear stress and temperature variance make the case ideal for the testing of pdf models wherein these values can be directly evaluated.

Hsu, Andrew T.↗

NASA NTRS1994

Probability density function approach for compressible turbulent reacting flows

The objective of the present work is to extend the probability density function (PDF) tubulence model to compressible reacting flows. The proability density function of the species mass fractions and enthalpy are obtained by solving a PDF evolution equation using a Monte Carlo scheme. The PDF solution procedure is coupled with a compression finite-volume flow solver which provides the velocity and pressure fields. A modeled PDF equation for compressible flows, capable of treating flows with shock waves and suitable to the present coupling scheme, is proposed and tested. Convergence of the combined finite-volume Monte Carlo solution procedure is discussed. Two super sonic diffusion flames are studied using the proposed PDF model and the results are compared with experimental data; marked improvements over solutions without PDF are observed.

Hsu, A. T.↗

NASA NTRS2008

Informatics and High Throughput Screening of Thermophysical Properties

The combination of computer-aided experiments with computational modeling enables a new class of powerful tools for materials research. A non-contact method for measuring density, thermal expansion, and creep of undercooled and high-temperature materials has been developed, using electrostatic levitation and optical diagnostics, including digital video. These experiments were designed to take advantage of the large volume of data (many gigabytes/experiment, terabytes/campaign) to gain additional information about the samples. For example, using sub-pixel interpolation to measure about 1000 vectors per image of the sample's surface allows the density of an axisymmetric sample to be determined to an accuracy of about 200 ppm (0.02%). A similar analysis applied to the surface shape of a rapidly rotating sample is combined with finite element modeling to determine the stress-dependence of creep in the sample in a single test. Details of the methods for both the computer-aided experiments and computational models will be discussed.

Hyers, Robert W.↗

NASA NTRS1993

Experimental Determination of in Situ Utilization of Lunar Regolith for Thermal Energy Storage

A Lunar Thermal Energy from Regolith (LUTHER) experiment has been designed and fabricated at the NASA Lewis Research Center to determine the feasibility of using lunar soil as thermal energy storage media. The experimental apparatus includes an alumina ceramic canister (25.4 cm diameter by 45.7 cm length) which contains simulated lunar regolith, a heater (either radiative or conductive), 9 heat shields, a heat transfer cold jacket, and 19 type B platinum rhodium thermocouples. The simulated lunar regolith is a basalt, mined and processed by the University of Minnesota, that closely resembles the lunar basalt returned to earth by the Apollo missions. The experiment will test the effects of vacuum, particle size, and density on the thermophysical properties of the regolith. The properties include melt temperature (range), specific heat, thermal conductivity, and latent heat of storage. Two separate tests, using two different heaters, will be performed to study the effect of heating the system using radiative and conductive heat transfer. The physical characteristics of the melt pattern, material compatibility of the molten regolith, and the volatile gas emission will be investigated by heating a portion of the lunar regolith to its melting temperature (1435 K) in a 10(exp -4) pascal vacuum chamber, equipped with a gas spectrum analyzer. A finite differencing SINDA model was developed at NASA Lewis Research Center to predict the performance of the LUTHER experiment. The analytical results of the code will be compared with the experimental data generated by the LUTHER experiment. The code will predict the effects of vacuum, particle size, and density has on the heat transfer to the simulated regolith.

Richter, Scott W.↗

DOE OSTI2024

A spatially-resolved model of neutron-irradiated tungsten coupling stochastic cluster dynamics and finite deformation plasticity

Structural materials used in nuclear reactors face severe degradation in mechanical properties, such as hardening and embrittlement. At the microscopic scale, this occurs due to creation and accumulation of irradiation-induced defects and their interaction with system dislocations. Although techniques exist which can model evolution of irradiation defects, for instance kinetic transport theory-based models, their interaction with mechanical deformation of the bulk material has not been investigated extensively. In this work, we demonstrate a novel spatially-resolved multiscale coupling between microscopic irradiation defect evolution, modeled using Stochastic Cluster Dynamics (SCD) and macroscopic mechanical deformation modeled using a finite-deformation plasticity model. SCD is used to determine the statistically averaged defect cluster spacing, dependent on operating conditions such as irradiation dose and temperature. This acts as an initial condition that governs the critical resolved shear stress of dislocation glide in the macroscopic plasticity model. This framework is used to predict mechanical behavior in post-mortem test of irradiated Tungsten samples, which has found its importance as structural material used in nuclear reactors. The results obtained using the coupled approach are in good agreement with experimental data of uniaxial tension tests. The model is able to capture the effect of temperature and irradiation dose on the material hardening. Two methods are proposed to estimate hardness – using Tabor's Law relating uniaxial yield stress to hardness and from flat-punch simulations. The results are in reasonable agreement with hardness data from micro-indentation experiments of irradiated Tungsten samples. Finally, the model is also able to reveal microstructural details such as spatial variation in defect density and local stress.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Increased Defect Resistance and Ordering in MnBi 2 (Se 1– x Te x ) 4 via Accurate Diffusion Monte Carlo

Stabilizing materials and controlling defect formation remain key challenges in materials science, particularly for theory, where small energy differences must be resolved for accurate predictions. Here, we applied state-of-the-art theoretical methods to topological materials, focusing on MnBi 2 Te 4 (MBT), which is a promising intrinsic magnetic topological insulator. Antisite defects in MBT alter its electronic structure and magnetism, degrading topological properties and causing experimental inconsistencies. Using diffusion Monte Carlo and density functional theory, we investigated the thermodynamic stability and defect formation in MBT, MnBi 2 Se 4 (MBS), and MnBi 2 (Se 1–x Te x ) 4 . We found that MnBi 2 Se 2 Te 2 can be stable at finite temperatures, with higher defect formation energies due to stronger Mn–Se bonding and reduced internal strain. Se preferentially substitutes Te near Mn instead of Te in the outer layer, encouraging long-range ordering when incorporated. For MnBi 2 (Se 1–x Te x ) 4 , cluster expansion phase diagrams revealed solid solution behavior when x <0.5 and phase separation for larger x. MBT and MBS are topological insulators; therefore, the MnBi 2 (Se 1–x Te x ) 4 family could offer tunable topological behavior and improved stability.

MnBi2Te4↗

DOE OSTI2025

Geometry and size dependent microstructure and crack formation in Rene 41 superalloy fabricated by laser powder bed fusion

This study provides a systematic investigation into the size and geometry-dependent microstructural evolution and cracking susceptibility of LPBF-fabricated Rene 41. By coupling experimental microstructural analysis with thermal modeling, this research uniquely identifies the relationship between geometry-specific thermal histories, carbide coarsening, and liquation cracking. Four different geometries with varying thickness were fabricated with the identical process parameters. It was found that the grain size and morphology are not affected by the part size. However, the thinner parts exhibited coarser sub-grain structures compared to the thicker ones. The crack formation was observed for the parts with cross-sections smaller than 1 mm, whereas thicker parts had high density without any defects. Further, the cracks were observed in the interdendritic regions, suggesting that liquation cracking was the active micro-crack formation mechanism. The detailed microstructural analysis combined with a thermal finite element analysis proved that the heat extraction efficiency was lower for thinner parts causing a lower cooling rate and coarser carbides, making them more susceptible to constitutional liquation. Microhardness measurements were conducted for each geometry and correlated with the observed microstructural variations. The findings highlight the critical need for geometry-specific optimization of LPBF process parameters to mitigate cracking and achieve microstructural uniformity, offering valuable insights into the fabrication of complex, high-performance aerospace components.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Superfluid condensate fraction and pairing wave function of the unitary Fermi gas

The unitary Fermi gas is a many-body system of two-component fermions with zero-range interactions tuned to infinite scattering length. Despite much activity and interest in unitary Fermi gas and its universal properties, there have been great difficulties in performing accurate calculations of the superfluid condensate fraction and pairing wave function. In this paper, we present auxiliary-field lattice Monte Carlo simulations using a lattice interaction which accelerates the approach to the continuum limit, thereby allowing for robust calculations of these difficult observables. As a benchmark test, we compute the ground-state energy of 33 spin-up and 33 spin-down particles. As a fraction of the free Fermi gas energy $E_{\text{FG}}$, we find $E_0/E_{\text{FG}}$ = 0.369(2), 0.372(2), using two different definitions of the finite-system energy ratio, in agreement with the latest theoretical and experimental results. We then determine the condensate fraction by measuring off-diagonal long-range order in the two-body density matrix. We find that the fraction of condensed pairs is α = 0.43(2). Further, we also extract the pairing wave function and find the pair correlation length to be $ζ_pk_F$ = 1.8(3)ℏ, where $k_F$ is the Fermi momentum. Provided that the simulations can be performed without severe sign oscillations, the methods we present here can be applied to superfluid neutron matter as well as more exotic $\textit{P}$-wave and $\textit{D}$-wave superfluids.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Changes in polarization dictate necessary approximations for modeling electronic deexcitation intensity: Application to x-ray emission

Accurate simulation of electronic excitations and deexcitations are critical for complementing complex spectroscopic experiments and can provide validation to theoretical approaches. Here, using a generalized framework, we contrast the accuracy and validity of orbital-constrained and linear-response approaches that build upon Kohn-Sham density functional theory (DFT) to simulate emission spectra of electronic origin and propose an efficient approximation, named many-body x-ray emission spectroscopy or MBXES, for simulating such processes. We show analytically as well as with computed examples that for electronic (de)excitation leading to an appreciable change in polarization (i.e., density rearrangement), the adiabatic approximation in a response-based formalism will be inadequate for the calculation of oscillator strength. Thus, such a change (e.g., in the net electrostatic dipole moment of a finite system) can be used as a metric for evaluating the applicability of the adiabatic response-based approach and can be particularly valuable in x-ray emission spectroscopy. On the other hand, MBXES, the flexible method introduced in this paper, can compute oscillator strengths accurately at a much lower computational expense on the basis of two DFT-based self-consistent field calculations. Using illustrative examples of emission spectra, the efficacy of the MBXES method is demonstrated by comparison with its parent theory, orbital-optimized DFT, and with experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1976

Effects of a magnetic field gradient on the lower hybrid drift instability

The effect of a magnetic field gradient on the lower hybrid drift instability is examined in the low drift velocity regime (i.e., of the order of the ion thermal velocity). The theoretical model includes density and temperature gradients, and considers only waves propagating perpendicular to the ambient magnetic field with wavelengths of the order of the electron Larmor radius. It is found, for the case of a finite ratio of the electron pressure to the magnetic field pressure, that a magnetic gradient drift-wave resonance can be important and is stabilizing or destabilizing depending upon the physical conditions. Substantial plasma heating and a large anomalous resistivity can also occur.

Huba, J. D.↗

NASA NTRS1978

An instability of finite amplitude circularly polarized Alfven waves

A demonstration is presented that a finite-amplitude circularly-polarized Alfven wave is generally unstable in a MHD fluid. The wave decays by a four-wave coupling process in which the daughter waves are forward propagating random density and magnetic fluctuations and a backward-propagating magnetic wave. For parameters typical of the solar corona and the solar wind (thermal to magnetic energy density ratios between 0.1 and 1, and values between 0.1 and 0.9 for the ratio of magnetic energy density of the initial Alfven wave to that of the background magnetic field), large decay rates are found.

Goldstein, M. L.↗

NASA NTRS1986

On the varying slope of velocity spectra

Spectra of zonal, meridional and vertical wind velocity, measured during a 24 hour period with the spaced-antenna technique indicate quite a variable slope as a function of height. It is found that the spectral slope (1h to 24h) of all three components correlates with the mean horizontal wind velocity. A possible conclusion is that the frequency dependence of power density of horizontal and vertical fluctuation component apparently depends on the mean wind velocity. However, the vertical spectra at periods larger than about 1 hour can also be influenced by spillover (due to finite radar antenna beam width) from the horizontal fluctuation component or by a Doppler shift.

Rottger, J.↗

NASA NTRS1989

Upwind Navier-Stokes solutions for leading-edge vortex flows

An incompressible Navier-Stokes solver using an upwind finite-difference algorithm is employed to investigate low-speed, three-dimensional, laminar, leading-edge vortex flows over three round-edged low-aspect-ratio wings. The effects of grid density, Reynolds number, and wing planform on the flowfield structures and integral values are studied. Computed results show good qualitative and quantitative agreement with the available experimental data.

Hsu, C.-H.↗

NASA NTRS1992

Entropic uncertainty relation at finite temperature

We discussed how much information is lost when a particle is in equilibrium with the thermal reservoir of temperature T = 1/beta. The universal temperature correction to the r.h.s. of U(X,P:psi) greater than or = 1 + ln(pi) is determined. For this purpose, it is convenient to employ the framework of thermo-field dynamics (TFD). This formulation of finite-temperature (T not = 0) quantum theory utilizes the doubled Hilbert space, the normal operator (A) acting on the objective space, and its corresponding tildian operator on the fictitious space. The physical probability density associated with the measurement of the normal operator, A, is given, and the information entropy at T not = 0 is defined. The results describe how the thermal disturbance effects in S sub X or S sub P (delta X or delta P) can be suppressed by squeezing with keeping U = S sub X + S sub P (delta X x delta P) its minimum value.

Abe, Sumiyoshi↗