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At least 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Nonparametric solutions to the variational principle of ideal magnetohydrodynamics

In an effort to gain a better understanding of MHD equilibria in three dimensions, the lower dimensional cases are studied. The solution of the three-dimensional problem is based on the classical variational principle of ideal magnetohydrodynamics. The crucial assumption for the numerical method is the existence of a nested set of toroidal flux surfaces, which is then used as a coordinate. This paper studies the nonparametric solutions to this variational problem in those cases when the direct solution is known to have islands. A form of the variational principle for the slab geometry is described; the one-dimensional problem is analyzed; and asymptotic expansions and numerical solutions to the two-dimensional problem are discussed. An example is presented which shows that the assumption of nested flux surfaces need not rule out the occurrence of islands.

Betancourt, O. L.↗
NASA NTRS1993

DSMC and continuum analyses of low-density nozzle flow

Two different approaches, the direct-simulation Monte Carlo (DSMC) method based on molecular gas dynamics and a finite-volume approximation of the Navier-Stokes equations, which are based on continuum gas dynamics, are employed in the analysis of a low-density gas flow in a small converging-diverging nozzle. The fluid experiences various kinds of flow regimes including continuum, slip, transition, and free-molecular. Results from the two numerical methods are compared with Rothe's experimental dam, in which density and rotational temperature variations along the centerline and at various locations inside a low density nozzle were measured by the electron-beam fluorescence technique. The continuum approach showed good agreement with the experimental data as far as density is concerned. The results from the DSMC method showed good agreement with the experimental data both in the density and the rotational temperature. It is also shown that the simulation parameters, such as the gas/surface interaction model, the energy exchange model between rotational and translational modes, and the viscosity temperature exponent, have substantial effects on the results of the DSMC method.

Chung, Chan-Hong↗
NASA NTRS1996

A New Class of Finite Difference Schemes

Fluid flows in the transitional and turbulent regimes possess a wide range of length and time scales. The numerical computation of these flows therefore requires numerical methods that can accurately represent the entire, or at least a significant portion, of this range of scales. The inaccurate representation of small scales is inherent to non-spectral schemes. This can be detrimental to computations where the energy in the small scales is comparable to that in the larger scales, e.g. large-eddy simulations of high Reynolds number turbulence. The inaccurate numerical representation of the small scales in these large-eddy simulations can result in the numerical error overwhelming the contribution of the subgrid-scale model.

Mahesh, K.↗
NASA NTRS2024

OVERFLOW Guidelines for Simulation of Supersonic Retropropulsion

General methods for obtaining satisfactory simulation accuracy across a range of supersonic retropropulsive flows are recommended using comparisons between OVERFLOW calculations and tests of two vehicles in the Langley Unitary Plan Wind Tunnel. Gridding and discretization, various measures of solution convergence, and turbulence modelling options are dicussed. While the presented guidelines were developed from OVERFLOW simulations in support of a particular test, the recommendations on numerical methods and gridding practices hold merit for simulations conducted CFD solvers in general.

CFD↗
DOE OSTI2018

Analysis of Nonclassical Fracture Problems for Prestressed Bodies with Interacting Cracks

We consider two types of nonclassical fracture mechanisms, namely, the fracture of cracked bodies with initial (residual) stresses acting along the crack planes and the fracture of solids under compression along parallel cracks. To investigate nonaxisymmetric and axisymmetric problems for infinite solids containing two parallel coaxial cracks or a periodic set of coaxial parallel cracks, we use a combined analytic-numerical method within the framework of the three-dimensional linearized mechanics of solids. The analysis involves the representation of stresses and displacements in the linearized theory via harmonic potential functions. With the use of the integral Fourier–Hankel transformations, the problems are reduced to the solution of Fredholm integral equations of the second kind. This approach allows us to investigate problems in a unified general form for compressible and noncompressible homogeneous isotropic or transversely isotropic elastic bodies with an arbitrary structure of the elastic potential, and the material specification of the model is carried out only in the stage of numerical analysis of the resolving equations obtained in the general form. The effects of initial stresses on the stress intensity factors are analyzed for highly elastic materials and layered composites (modeled as transversely isotropic elastic bodies). The “resonance-like” effects are revealed when compressive initial stresses reach the values corresponding to the local loss of stability of the material in the vicinity of cracks, which, according to the indicated combined method, allows one to determine the critical (limiting) load parameters under the conditions of compression of the body along the cracks. The conclusions concerning the dependences of the stress intensity factors and critical (limiting) parameters of compression on the geometric parameters of the problems are formulated as well as concerning the dependences on physical and mechanical characteristics of the materials.

42 ENGINEERING↗
DOE OSTI2017

Modeling propellant-based stimulation of a borehole with peridynamics

A non-local formulation of classical continuum mechanics theory known as peridynamics is used to study fracture initiation and growth from a wellbore penetrating the subsurface within the context of propellant-based stimulation. The principal objectives of this work are to analyze the influence of loading conditions on the resulting fracture pattern, to investigate the effect of in-situ stress anisotropy on fracture propagation, and to assess the suitability of peridynamics for modeling complex fracture formation. In peridynamics, the momentum equation from the classical theory of solid mechanics is replaced by a non-local analogue, which results in an integrodifferential conservation equation. A continuum material is discretized with a set of material points that interact with all other points within a specified distance. Interactions between points are governed by bonds that can deform and break depending on loading conditions. The accumulated breakage of bonds gives rise to a picture of complex growth of fractures that is seen as a key advantage in the peridynamic representation of discontinuities. It is shown that the loading rate significantly influences the number and ex- tent of fractures initiated from a borehole. Results show that low loading rates produce fewer but longer fractures, whereas high loading rates produce numerous shorter fractures around the borehole. The numerical method is able to predict fracture growth patterns over a wide range of loading and stress conditions. Our results also show that fracture growth is attenuated with increasing in-situ confining stress, and, in the case of confining stress anisotropy, fracture extensions are largest in the direction perpendicular to the minimum compressive stress. Since the results are in broad qualitative agreement with experimental and numerical studies found in the literature, suggesting that peridynamics can be a powerful tool in the study of complex fracture network formation.

42 ENGINEERING↗
DOE OSTI2023

Simulation of Reverse Osmosis Membrane Compaction Using Material Point Method

Reverse Osmosis (RO) is a promising technology to address the impending water-crisis in the upcoming decades. RO at high salinities and high pressures is challenging due to membrane compaction that changes its porosity and permeability. In this study, we present a simulation methodology for membrane structural mechanics to understand pore size distribution and permeability variations under high pressure. We use the material point method (MPM), that solves the solid mechanics equations in a Lagrangian framework. MPM provides many features that make it well-suited for simulating mesoporous membranes. The Lagrangian framework allows for large deformations, easy integration of constitutive models and direct import of complex geometries as particles. The spatial discretization in our MPM solver is achieved using linear or cubic-spline shape functions while the time integration is carried out using the explicit Euler method. A series of images containing detailed pore structures obtained from X-ray tomography is first converted to a collection of material points. Compressive loads are applied to the top layer of the membrane to simulate the application of pressure. The membrane deformation and pore size distribution before and after load application are reported and compared with the experimental measurements. The presentation discusses the numerical methods used, the performance of the solver on high-performance computing machines, and the results of membrane compact in detail.

compaction↗
NASA NTRS1993

Transport methods and interactions for space radiations

This report presents a brief history leading to the involvement of the Langley Research Center of the National Aeronautics and Space Administration (NASA) in space-radiation physics and protection. Indeed, a relatively complete summary of technical capability as of the summer of 1990 is given. The Boltzmann equations for coupled ionic and neutronic fields are presented and inversion techniques for the Boltzmann operator are discussed. Errors generated by the straight ahead approximation are derived and are shown to be negligible for most problems of space-radiation protection. A decoupling of projectile propagation from the target fields greatly simplifies the Boltzmann equations and allows an analytic solution of the target fragment transport. Analytic and numerical methods of solving the projectile transport equations are discussed. The nuclear physics underlying the coefficients in the Boltzmann equation is discussed. A coupled-channel optical model is found as a consequence of the loose binding of nuclear matter and closure of the nuclear states in high-energy reactions. Transport solutions with the developed data base are used with laboratory experiments to validate both the transport code and the data base. Numerical benchmarks and comparison with Monte Carlo calculations are also used for code validation.

Wilson, John W.↗
DOE OSTI2016

Direct single-shot phase retrieval from the diffraction pattern of separated objects

The non-crystallographic phase problem arises in numerous scientific and technological fields. An important application is coherent diffractive imaging. Recent advances in X-ray free-electron lasers allow capturing of the diffraction pattern from a single nanoparticle before it disintegrates, in so-called ‘diffraction before destruction’ experiments. Presently, the phase is reconstructed by iterative algorithms, imposing a non-convex computational challenge, or by Fourier holography, requiring a well-characterized reference field. Here we present a convex scheme for single-shot phase retrieval for two (or more) sufficiently separated objects, demonstrated in two dimensions. In our approach, the objects serve as unknown references to one another, reducing the phase problem to a solvable set of linear equations. We establish our method numerically and experimentally in the optical domain and demonstrate a proof-of-principle single-shot coherent diffractive imaging using X-ray free-electron lasers pulses. Lastly, our scheme alleviates several limitations of current methods, offering a new pathway towards direct reconstruction of complex objects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

malbacR: A Package for Standardized Implementation of Batch Correction Methods for Omics Data

Mass spectrometry is a powerful tool for identifying and analyzing small molecules, such as metabolites and lipids, in com-plex biological samples. Liquid chromatography and gas chromatography mass spectrometry studies quite commonly in-volve large numbers of samples, which can require significant time for sample preparation and analyses. To accommodate such studies, the samples are commonly split into batches. Inevitably, variations in sample handling, temperature fluctua-tion, imprecise timing, column degradation and other factors result in systematic errors or biases of the measured abundances between the batches. Numerous methods are available via R packages to assist with batch correction for small molecule om-ics data; however, since these methods were developed by different research teams, the algorithms are available in separate R packages, each with different data input and output formats. We introduce the malbacR package which consolidates eleven common batch effect correction methods for small molecule omics data into one place so users can easily implement and compare: pareto scaling, power scaling, range scaling, ComBat, EigenMS, NOMIS, RUV-random, QC-RLSC, WaveI-CA2.0, TIGER, and SERRF. The malbacR package standardizes data input and output formats across these batch correction methods. The package works in conjunction with the pmartR package, allowing users to seamlessly include batch effect cor-rection in a pmartR workflow without needing any additional data manipulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Function space requirements for the single-electron functions within the multiparticle Schroedinger equation

Our previously described method to approximate the many-electron wavefunction in the multiparticle Schroedinger equation reduces this problem to operations on many single-electron functions. In this work, we analyze these operations to determine which function spaces are appropriate for various intermediate functions in order to bound the output. This knowledge then allows us to choose the function spaces in which to control the error of a numerical method for single-electron functions. We find that an efficient choice is to maintain the single-electron functions in L{sup 2} Intersection L{sup 4}, the product of these functions in L{sup 1} Intersection L{sup 2}, the Poisson kernel applied to the product in L{sup 4}, a function times the Poisson kernel applied to the product in L{sup 2}, and the nuclear potential times a function in L{sup 4/3}. Due to the integral operator formulation, we do not require differentiability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Observing and modeling the effects of production infrastructure in electromagnetic surveys

Electromagnetic (EM) methods are among the original techniques for subsurface characterization in exploration geophysics because of their particular sensitivity to the earth electrical conductivity, a physical property of rocks distinct yet complementary to density, magnetization, and strength. However, this unique ability also makes them sensitive to metallic artifacts — infrastructure such as pipes, cables, and other forms of cultural clutter — the EM footprint of which often far exceeds their diminutive stature when compared to that of bulk rock itself. In the hunt for buried treasure or unexploded ordnance, this is an advantage; in the long-term monitoring of mature oil fields after decades of production, it is quite troublesome indeed. In this study we consider the latter through the lens of an evolving energy industry landscape in which the traditional methods of EM characterization for the exploration geophysicist are applied toward emergent problems in well-casing integrity, carbon capture and storage, and overall situational awareness in the oil field. We introduce case studies from these exemplars, showing how signals from metallic artifacts can dominate those from the target itself and impose significant burdens on the requisite simulation complexity. Furthermore, we show how recent advances in numerical methods mitigate the computational explosivity of infrastructure modeling, providing feasible and real-time analysis tools for the desktop geophysicist. Lastly, we demonstrate through comparison of field data and simulation results that incorporation of infrastructure into the analysis of such geophysical data is, in a growing number of cases, a requisite but now manageable step.

58 GEOSCIENCES↗
DOE OSTI2018

Center for Extended Magnetohydrodynamic Modeling (CEMM), Final Technical Report for UW-Madison Engineering Physics

The Center for Extended Magnetohydrodynamic Modeling (CEMM) focused on the further development, verification, validation, and application of two scientific computation programs, the NIMROD and M3D-C1 codes, for modeling macroscopic dynamics in magnetized plasma. Both NIMROD and M3D-C1 solve the mathematical equations that model two-fluid 3D magnetohydrodynamic (MHD). They are designed and optimized to be efficient and accurate for toroidal confinement physics calculations. The effort improved the fidelity of the physics models, the realism of the treatment of the surrounding vessel, coils, and other structures, the accuracy and efficiency of the algorithms, and the ability to scale calculations to thousands of processors in order to take advantage of leading-edge computers. The primary application areas of Resonant Magnetic Perturbations (RMP), Edge Harmonic Oscillations (EHO), Edge Localized Modes (ELMs), Disruption Studies, Sawteeth and Stationary States, and Kinetic MHD and Neoclassical Tearing Modes (NTM) are of concern for the international ITER experiment, which is under construction in France. The effort by the UW-Madison Engineering Physics component of CEMM improved the numerical methods in the NIMROD code with respect to modeling MHD interchange and two-fluid effects. It also improved the algorithm for solving large algebraic systems to enhance NIMROD's computational performance when running the code in parallel on increasing numbers of processor cores. The modeling efforts included a study of the nonlinear evolution of ballooning, and the findings were supported by analytical theory and computation. Numerical MHD modeling also examined the influences of two-fluid effects on ELMs and RMPs, where "two-fluid" refers to separation of electron dynamics from ion dynamics. Another related aspect considered the effects of a localized layer of electrical current density near the edge of the plasma confinement region. Two-fluid effects on resonant reconnecting instabilities were verified and applied to computations of sawtooth and drift-tearing dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Systematic Quantum Cluster Typical Medium Method for the Study of Localization in Strongly Disordered Electronic Systems

Great progress has been made in recent years towards understanding the properties of disordered electronic systems. In part, this is made possible by recent advances in quantum effective medium methods which enable the study of disorder and electron-electronic interactions on equal footing. They include dynamical mean-field theory and the Coherent Potential Approximation, and their cluster extension, the dynamical cluster approximation. Despite their successes, these methods do not enable the first-principles study of the strongly disordered regime, including the effects of electronic localization. The main focus of this review is the recently developed typical medium dynamical cluster approximation for disordered electronic systems. This method has been constructed to capture disorder-induced localization and is based on a mapping of a lattice onto a quantum cluster embedded in an effective typical medium, which is determined self-consistently. Unlike the average effective medium-based methods mentioned above, typical medium-based methods properly capture the states localized by disorder. The typical medium dynamical cluster approximation not only provides the proper order parameter for Anderson localized states, but it can also incorporate the full complexity of Density-Functional Theory (DFT)-derived potentials into the analysis, including the effect of multiple bands, non-local disorder, and electron-electron interactions. After a brief historical review of other numerical methods for disordered systems, we discuss coarse-graining as a unifying principle for the development of translationally invariant quantum cluster methods. Together, the Coherent Potential Approximation, the Dynamical Mean-Field Theory and the Dynamical Cluster Approximation may be viewed as a single class of approximations with a much-needed small parameter of the inverse cluster size which may be used to control the approximation. We then present an overview of various recent applications of the typical medium dynamical cluster approximation to a variety of models and systems, including single and multiband Anderson model, and models with local and off-diagonal disorder. We then present the application of the method to realistic systems in the framework of the DFT and demonstrate that the resulting method can provide a systematic first-principles method validated by experiment and capable of making experimentally relevant predictions. We also discuss the application of the typical medium dynamical cluster approximation to systems with disorder and electron-electron interactions. Most significantly, we show that in the limits of strong disorder and weak interactions treated perturbatively, that the phenomena of 3D localization, including a mobility edge, remains intact. However, the metal-insulator transition is pushed to larger disorder values by the local interactions. We also study the limits of strong disorder and strong interactions capable of producing moment formation and screening, with a non-perturbative local approximation. Here, we find that the Anderson localization quantum phase transition is accompanied by a quantum-critical fan in the energy-disorder phase diagram.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Boundary layer transition effects on flow separation around V/STOL engine inlets at high incidence

Numerical methods for calculating laminar and turbulent boundary layer development around vertical-short take off and landing engine inlets at high incidence angles are investigated. Various transition models were compared and evaluated in calculations off flow separation bound inside the inlet. Results of the transition effects on the boundary layer characteristics at onset of separation for two types of engine inlet geometries are presented. Some of the numerical results are compared with existing wind-tunnel test data for scaled inlet models to demonstrate the effects of transition models in the numerical scheme. The effects of transition modeling on the boundary layer development are illustrated for typical engine operating conditions.

Chou, D. C.↗
NASA NTRS1992

Cumulative reports and publications through December 31, 1991

A reports and publications list is given from the Institute for Computer Applications in Science and Engineering (ICASE) through December 31, 1991. The major categories of the current ICASE research program are; numerical methods, control and parameter identification problems, computational problems in engineering and the physical sciences, and computer systems and software. Since ICASE reports are intended to be preprints of articles that will appear in journals or conference proceedings, the published reference is included when available.

Mathematics↗
NASA NTRS2012

Ares I Vehicle Computed Turbulent Ascent Aerodynamic Data Development and Analysis

An overview of the computational ascent aerodynamic data development from a Reynolds-averaged Navier-Stokes flow solver for the Ares I vehicle design is presented. The computed results are assessed for grid and turbulence model effects and verified against the results obtained from other flow solvers. The numerical predictions are analyzed for the surface pressure, sectional line loads, longitudinal aerodynamic and rolling moment coefficients, and their trends with respect to angle of attack, Mach number, and the vehicle's roll angle. The results revealed that the solution development with the Spalart-Allmaras turbulence model was the most robust, stable, and efficient. These predictions were generally found to compare well with experimental data. Relative to wind-tunnel flow conditions, the results at flight Reynolds number showed the largest reduction of about 7% in the computed longitudinal aerodynamic coefficients. Protuberance size and relative position were found to have a significant effect on the vehicle's force and moment coefficients. The strake concept was proposed and shown to reduce the vehicle's maximum rolling moment coefficient Results and analyses have demonstrated the feasibility of the present numerical method, as an engineering tool, for predicting the external flow aerodynamic characteristics of this class of vehicle designs.

Aerodynamic characteristics↗
DOE OSTI2016

Large Eddy Simulation of Autoignition Transients in a Model Diesel Injector Configuration

Developing an improved understanding of transient mixing and combustion processes inherent in diesel injection is an important element in the design of advanced engines. This paper provides a detailed analysis of these processes using an idealized benchmark configuration designed to facilitate precise comparisons between different models and numerical methods. The computational domain is similar to the Engine Combustion Network (www.sandia.gov/ECN) Spray-A injector with n-dodecane as the fuel. Quantified idealizations are made in the treatment of boundary conditions to eliminate ambiguities and unknowns associated with the actual injector(s) used in the experiment. These ambiguities hinder comparisons aimed at understanding the accuracy of different models and the coupled effects of potential numerical errors. Prior to understanding the impact of injector imperfections on their performance, it is first necessary to understand how models perform in a well-controlled environment with well-defined boundary conditions. Here, we focus on the latter while accurately matching the operating conditions used in the experiments. Relevant high-pressure phenomena are treated with real-fluid thermodynamics and transport for multicomponent mixtures. A highly resolved calculation is performed to study both scalar-mixing and initiation of combustion. Results are assembled into a database that can facilitate one-to-one comparisons between codes. The combined set of results is analyzed to provide physical insights related to localized broadband transient mixing and combustion processes that are typically not available from experiments.

Hakim, Layal↗