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All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

On recontamination and directional-bias problems in Monte Carlo simulation of PDF turbulence models

Turbulent combustion can not be simulated adequately by conventional moment closure turbulent models. The probability density function (PDF) method offers an attractive alternative: in a PDF model, the chemical source terms are closed and do not require additional models. Because the number of computational operations grows only linearly in the Monte Carlo scheme, it is chosen over finite differencing schemes. A grid dependent Monte Carlo scheme following J.Y. Chen and W. Kollmann has been studied in the present work. It was found that in order to conserve the mass fractions absolutely, one needs to add further restrictions to the scheme, namely alpha(sub j) + gamma(sub j) = alpha(sub j - 1) + gamma(sub j + 1). A new algorithm was devised that satisfied this restriction in the case of pure diffusion or uniform flow problems. Using examples, it is shown that absolute conservation can be achieved. Although for non-uniform flows absolute conservation seems impossible, the present scheme has reduced the error considerably.

Hsu, Andrew T.↗
NASA NTRS1995

A count probability cookbok: Spurious effects and the scaling model

We study the errors brought by finite volume effects and dilution effects on the practical determination of the count probability distribution function P(sub N)(n,l), which is the probability of having N objects in a cell of volume l cubed for a set of average number density n. Dilution effects are particularly revelant to the so-called sparse sampling strategy. This work is mainly done in the framework of the Bailan & Schaeffer scaling model, which assumes that the Q-body correlation functions obey the scaling relation Xi(sub Q)(lambda r(sub l),....lambda r(sub Q) = lambda(exp -(Q-1)gamma) Xi(sub Q)(r(sub 1),....r(sub Q)). We use three synthetic samples as references to perform our analysis: a fractal generated by a Rayleigh-Levy random walk with approximately 3 x 10(exp 4) objects, a sample dominated by a spherical power-law cluster with approximately 3 x 10(exp 4) objects and a cold dark matter (CDM) universe involving approximately 3 x 10(exp 5) matter particles.

Colombi, S.↗
NASA NTRS1996

Measurements and Modeling of Soot Formation and Radiation in Microgravity Jet Diffusion Flames

This is a computational and experimental study for soot formation and radiative heat transfer in jet diffusion flames under normal gravity (1-g) and microgravity (0-g) conditions. Instantaneous soot volume fraction maps are measured using a full-field imaging absorption technique developed by the authors. A compact, self-contained drop rig is used for microgravity experiments in the 2.2-second drop tower facility at NASA Lewis Research Center. On modeling, we have coupled flame structure and soot formation models with detailed radiation transfer calculations. Favre-averaged boundary layer equations with a k-e-g turbulence model are used to predict the flow field, and a conserved scalar approach with an assumed Beta-pdf are used to predict gaseous species mole fraction. Scalar transport equations are used to describe soot volume fraction and number density distributions, with formation and oxidation terms modeled by one-step rate equations and thermophoretic effects included. An energy equation is included to couple flame structure and radiation analyses through iterations, neglecting turbulence-radiation interactions. The YIX solution for a finite cylindrical enclosure is used for radiative heat transfer calculations. The spectral absorption coefficient for soot aggregates is calculated from the Rayleigh solution using complex refractive index data from a Drude- Lorentz model. The exponential-wide-band model is used to calculate the spectral absorption coefficient for H20 and C02. It is shown that when compared to results from true spectral integration, the Rosseland mean absorption coefficient can provide reasonably accurate predictions for the type of flames studied. The soot formation model proposed by Moss, Syed, and Stewart seems to produce better fits to experimental data and more physically sound than the simpler model by Khan et al. Predicted soot volume fraction and temperature results agree well with published data for a normal gravity co-flow laminar flames and turbulent jet flames. Predicted soot volume fraction results also agree with our data for 1-g and 0-g laminar jet names as well as 1-g turbulent jet flames.

Ku, Jerry C.↗
NASA NTRS1994

Rotational Relaxation in Nonequilibrium Freejet Expansions of Heated Nitrogen

Rotational temperatures have been measured in rarefied, nonequilibrium, heated freejet expansions of nitrogen using the electron beam fluorescence technique at the University of California at Berkeley Low Density Wind Tunnel facility. Spectroscopic measurements of the (0,0) band of the first negative system of nitrogen reveal the nonequilibrium behavior in the flowfield upstream of, and through the Mach disk, which forms as the freejet expands into a region of finite back pressure. Results compare well with previous freejet expansion data and computations regarding location of the Mach disk and terminal rotational temperature in the expansion. Measurements are also presented for shock thickness based on the rotational temperature changes in the flow. Thickening shock layers, departures of rotational temperature from equilibrium in the expansion region, and downstream rotational temperature recovery much below that of an isentropic normal shock provide indications of the rarefied, nonequilibrium flow behavior. The data are analyzed to infer constant values of the rotational-relaxation collision number from 2.2 to 6.5 for the various flow conditions. Collision numbers are also calculated in a consistent manner for data from other investigations for which is seen a qualitative increase with increasing temperature. Rotational-relaxation collision numbers are seen as not fully descriptive of the rarefied freejet flows. This may be due to the high degree of nonequilibrium in the flowfields, and/or to the use of a temperature-insensitive rotational-relaxation collision number model in the data analyses.

Gochberg, Lawrence A.↗
NASA NTRS2003

A Novel Strategy for Numerical Simulation of High-speed Turbulent Reacting Flows

The objective of this research is to improve and implement the filtered mass density function (FDF) methodology for large eddy simulation (LES) of high-speed reacting turbulent flows. We have just completed Year 1 of this research. This is the Final Report on our activities during the period: January 1, 2003 to December 31, 2003. 2002. In the efforts during the past year, LES is conducted of the Sandia Flame D, which is a turbulent piloted nonpremixed methane jet flame. The subgrid scale (SGS) closure is based on the scalar filtered mass density function (SFMDF) methodology. The SFMDF is basically the mass weighted probability density function (PDF) of the SGS scalar quantities. For this flame (which exhibits little local extinction), a simple flamelet model is used to relate the instantaneous composition to the mixture fraction. The modelled SFMDF transport equation is solved by a hybrid finite-difference/Monte Carlo scheme.

Sheikhi, M. R. H.↗
NASA NTRS2013

On Multiscale Modeling: Preserving Energy Dissipation Across the Scales with Consistent Handshaking Methods

A mesh objective crack band model was implemented within the generalized method of cells micromechanics theory. This model was linked to a macroscale finite element model to predict post-peak strain softening in composite materials. Although a mesh objective theory was implemented at the microscale, it does not preclude pathological mesh dependence at the macroscale. To ensure mesh objectivity at both scales, the energy density and the energy release rate must be preserved identically across the two scales. This requires a consistent characteristic length or localization limiter. The effects of scaling (or not scaling) the dimensions of the microscale repeating unit cell (RUC), according to the macroscale element size, in a multiscale analysis was investigated using two examples. Additionally, the ramifications of the macroscale element shape, compared to the RUC, was studied.

Pineda, Evan J.↗
DOE OSTI2024

A comparative study on deep learning models for condition monitoring of advanced reactor piping systems

Advanced nuclear reactors offer innovative applications due to their portability, reliability, resiliency, and high capacity factors. To operate them on a wider scale, reducing maintenance life-cycle costs while ensuring their integrity is essential. Autonomous operations in advanced nuclear reactors using augmented Digital Twin (DT) technology can serve as a cost-effective solution by increasing awareness about the system’s health. A key component of nuclear DT frameworks is the condition monitoring of safety systems, such as piping-equipment systems, which involves acquiring and monitoring the plant’s sensor data. Here, this research proposes a condition monitoring methodology utilizing deep learning algorithms, such as multilayer perceptions (MLP) and convolutional neural networks (CNNs), to detect degradation and its severity in nuclear piping-equipment systems. Sensor signals are processed to obtain the power spectral density and the Short-Time Fourier transform, and feature extraction methodologies are proposed to develop degradation-sensitive data repositories. The performance of MLP, one-dimensional (1D) CNN, and 2D CNN within the proposed condition monitoring framework is compared using a finite element model of a 3D piping system subjected to seismic loads as the application case study. Various approaches, such as dropout, k-Fold validation, regularization, and early stopping of training the network, are investigated to avoid overfitting the models to the input sensor data. The predictive capability and computational capacity of the deep learning algorithms are also compared to detect degradation in the Z-pipe system of the Experimental Breeder Reactor II (EBRII). The Z-pipe system is subjected to harmonic excitations that represent normal operating loads, such as pump-induced vibrations. The findings of the study indicate that the proposed artificial intelligence (AI)-driven condition monitoring framework demonstrates superior prediction accuracies with a 2D CNN, whereas the MLP exhibits higher computational efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Anomalous transport of multi-species edge plasma with the generalized Hasegawa–Wakatani model and the FLR effects

Anomalous transport of multi-species plasma is considered with the generalized Hasegawa–Wakatani model [A. R. Knyazev and S. I. Krasheninnikov, Phys. Plasmas 31, 012502 (2024)] further extended to incorporate the Finite Larmor Radius (FLR) effects. By introducing the “associated” enstrophy, it is shown that with no FLR effects (where anomalous transport of all ion species is described as a transport of passive scalars in the turbulent fields of the electrostatic potential and electron density fluctuations) the fluctuating densities of ion species converge to the state where they are linearly proportional to electron density and vorticity fluctuations, which confirm previous numerical findings of [A. R. Knyazev and S. I. Krasheninnikov, Phys. Plasmas 31, 012502 (2024)]. However, in contrast to the “cold” ion approximation, with the FLR effects included, both the plasma turbulence and the dynamics of all ion species become interconnected. Therefore, for simplicity, the FLR effects in this work were considered only for a small “trace” impurity fraction. It is found that for light (neon) “trace” impurity, the FLR effects reduce both anomalous flux and density fluctuations. However, for heavy (tungsten) “trace” impurity, the FLR effects exhibit non-monotonic impact on anomalous transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Chiral spin liquid with spinon Fermi surfaces in the spin-$\frac{1}{2}$ triangular Heisenberg model

Here, we study the interplay of competing interactions in spin-$\frac{1}{2}$ triangular Heisenberg model through tuning the first- ($J_1$), second- ($J_2$), and third-neighbor ($J_ 3$) couplings. Based on a large-scale density-matrix renormalization group calculation, we identify a quantum phase diagram of the system and discover a gapless chiral spin-liquid (CSL) phase in the intermediate $J_2$ and $J_ 3$ regime. This CSL state spontaneously breaks time-reversal symmetry with finite scalar chiral order, and it has gapless excitations implied by a vanishing spin triplet gap and a finite central charge on the cylinder. Moreover, the central charge grows rapidly with the cylinder circumference, indicating emergent spinon Fermi surfaces. To understand the numerical results we propose a parton mean-field spin-liquid state, the U (1) staggered flux state, which breaks time-reversal symmetry with chiral edge modes by adding a Chern insulator mass to Dirac spinons in the U (1) Dirac spin liquid. This state also breaks lattice rotational symmetries and possesses two spinon Fermi surfaces driven by nonzero $J_2$ and $J_3$, which naturally explains the numerical results. This realizes an example of a gapless CSL state with coexisting spinon Fermi surfaces and chiral edge states, demonstrating the rich family of interesting quantum phases emergent from competing interactions in triangular-lattice magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Natural orbitals for the ab initio no-core configuration interaction approach

Ab initio no-core configuration interaction (NCCI) calculations for the nuclear many-body problem have traditionally relied upon an antisymmetrized product (Slater determinant) basis built from harmonic oscillator orbitals. The accuracy of such calculations is limited by the finite dimensions which are computationally feasible for the truncated many-body space. We therefore seek to improve the accuracy obtained for a given basis size by optimizing the choice of single-particle orbitals. Natural orbitals, which diagonalize the one-body density matrix, provide a basis which maximizes the occupation of low-lying orbitals, thus accelerating convergence in a configuration-interaction basis, while also possibly providing physical insight into the single-particle structure of the many-body wave function. We describe the implementation of natural orbitals in the NCCI framework and examine the nature of the natural orbitals thus obtained, the properties of the resulting many-body wave functions, and the convergence of observables. After taking 3 He as an illustrative testbed, we explore aspects of NCCI calculations with natural orbitals for the ground state of the p-shell neutron halo nucleus 6 He .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1980

Complete viscous flowfield solutions about a blunt parabolic body in a supersonic stream

A hybrid computational technique which splits the flowfield into inviscid and viscous regions is used to investigate the complete flowfield about axisymmetric parabolic blunt bodies in a supersonic stream. The solutions are carried out on the CDC CYBER-203 computer which, with its extensive memory, allows for the use of a large number of finite-difference mesh points, allowing resolution of important flowfield features. A range of freestream Mach number of 2-5 and a range of Re number based on nose radius of 500-125,000 was run for a sonic corner body. Contour plots of density, pressure, and Mach number, velocity vector plots, and surface distributions of pressure, heat transfer, and shear stress are presented. Also, correlations of the downstream extent of the base recirculation region with Re number based on nose radius are given.

Weilmuenster, K. J.↗
NASA NTRS1990

Prediction of vortical flows on wings using incompressible Navier-Stokes equations

Grid-density and Reynolds-number effects on integral values and static pressure distributions are presently studied in the steady-state Navier-Stokes solutions obtained for the flow around a round-edged double delta wing using an upwind-relaxation finite-difference algorithm. It is found that while the computed longitudinal aerodynamic coefficients are in good agreement with extant experimental data, the magnitudes of suction-pressure peaks are underpredicted in the vicinity of the trailing edge. It is judged that additional computations employing finer-grid solutions in the vortical flow region are required.

Hsu, C.-H.↗
NASA NTRS2007

Numerical Strip-Yield Calculation of CTOD and CTOA

A recently developed numerical method based on the strip yield analysis approach was used to calculate the Crack Tip Opening Displacement (CTOD) and Crack Tip Opening Angle (CTOA) for a number of complex crack configurations of practical interest. This method is an adaptation of the dislocation-density based boundary element method. In this Boundary Element approach, crack-face opening displacements are obtained at any point on a crack using a series of definite integrals evaluated exactly in closed form for a variety of crack geometries, including infinite or finite extent, with arbitrarily applied loading conditions.

Beek, Joachim↗
NASA NTRS1975

Performance of a finite phase state bit-synchronization loop with and without sequential filters

A discrete phase state bit-synchronization loop is proposed for synchronization and detection of a binary nonreturn-to-zero (NRZ) process. The general loop model is developed for 11 and 17 phase states with optional sequential loop filter. Loop performance is considered in terms of the phase error density function, rms phase error, and mean time to bit slippage. It is shown that satisfactory loop performance can be achieved at -3 dB SNR through use of sequential loop filters.

Ransom, J. J.↗
NASA NTRS2004

Computational Analysis of Gravitational Effects in Low-Density Gas Jets

This study deals with the computational analysis of buoyancy-induced instability in the nearfield of an isothermal helium jet injected into quiescent ambient air environment. Laminar, axisymmetric, unsteady flow conditions were considered for the analysis. The transport equations of helium mass fraction coupled with the conservation equations of mixture mass and momentum were solved using a staggered grid finite volume method. The jet Richardson numbers of 1.5 and 0.018 were considered to encompass both buoyant and inertial jet flow regimes. Buoyancy effects were isolated by initiating computations in Earth gravity and subsequently, reducing gravity to simulate the microgravity conditions. Computed results concur with experimental observations that the periodic flow oscillations observed in Earth gravity subside in microgravity.

Satti, Rajani P.↗
NASA NTRS1999

Nondestructive Evaluation Correlated with Finite Element Analysis

Advanced materials are being developed for use in high-temperature gas turbine applications. For these new materials to be fully utilized, their deformation properties, their nondestructive evaluation (NDE) quality and material durability, and their creep and fatigue fracture characteristics need to be determined by suitable experiments. The experimental findings must be analyzed, characterized, modeled and translated into constitutive equations for stress analysis and life prediction. Only when these ingredients - together with the appropriate computational tools - are available, can durability analysis be performed in the design stage, long before the component is built. One of the many structural components being evaluated by the NDE group at the NASA Lewis Research Center is the flywheel system. It is being considered as an energy storage device for advanced space vehicles. Such devices offer advantages over electrochemical batteries in situations demanding high power delivery and high energy storage per unit weight. In addition, flywheels have potentially higher efficiency and longer lifetimes with proper motor-generator and rotor design. Flywheels made of fiber-reinforced polymer composite material show great promise for energy applications because of the high energy and power densities that they can achieve along with a burst failure mode that is relatively benign in comparison to those of flywheels made of metallic materials Therefore, to help improve durability and reduce structural uncertainties, we are developing a comprehensive analytical approach to predict the reliability and life of these components under these harsh loading conditions. The combination of NDE and two- and three-dimensional finite element analyses (e.g., stress analyses and fracture mechanics) is expected to set a standardized procedure to accurately assess the applicability of using various composite materials to design a suitable rotor/flywheel assembly.

Abdul-Azid, Ali↗
DOE OSTI2024

Design optimization of lightweight automotive seatback through additive manufacturing compression overmolding of metal polymer composites

With the growing demand for enhanced automotive fuel efficiency and environmental sustainability, there is a need for lightweighting automotive components through innovative design and manufacturing processes. Here, this study leverages a combination of numerical iterative design optimization and hybrid additive manufacturing–compression molding (AM-CM) technique for metal polymer composites to lightweight an automotive seatback. The AM-CM process enables robust mechanical interlocking between metals and composites, boasting high stiffness and strength with low overall density. Replacing metallic components with such metal polymer composites allows for comparable mechanical performance while significantly reducing the overall weight. First, the automotive seatback design space is reduced to critical load carrying regions using topology optimization and high stress concentration areas are identified using finite element analysis. Next, a lightweight metal polymer subcomponent is designed for a high stress concentration region. The full seatback frame with spatially heterogeneous material-specific design is then iteratively optimized to enable enhanced stiffness with minimal weight. Overall, the automotive seatback frame designed with location-specific metal, polymer, and metal polymer composite materials weighs 20% less than the metal-only design while exhibiting similar stiffness.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Universal thermodynamics of an SU ( N ) Fermi-Hubbard model

The SU(2) symmetric Fermi-Hubbard model (FHM) plays an essential role in strongly correlated fermionic many-body systems. In the one particle per site and strongly interacting limit U/t $\gg$ 1, it is effectively described by the Heisenberg Hamiltonian. In this limit, enlarging the spin and extending the typical SU(2) symmetry to SU(N) has been predicted to give exotic phases of matter in the ground state, with a complicated dependence on N. This raises the question of what—if any—are the finite-temperature signatures of these phases, especially in the currently experimentally relevant regime near or above the superexchange energy. We explore this question for thermodynamic observables by numerically calculating the thermodynamics of the SU(N) FHM in the two-dimensional square lattice near densities of one particle per site, using determinant quantum Monte Carlo and numerical linked cluster expansion. Interestingly, we find that for temperatures above the superexchange energy, where the correlation length is short, the energy, number of on-site pairs, and kinetic energy are universal functions of N. Although the physics in the regime studied is well beyond what can be captured by low-order high-temperature series, we show that an analytic description of the scaling is possible in terms of only one- and two-site calculations.

74 ATOMIC AND MOLECULAR PHYSICS↗