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At least 1,063 records · Page 59

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NASA NTRS2006

Applying Parallel Adaptive Methods with GeoFEST/PYRAMID to Simulate Earth Surface Crustal Dynamics

This viewgraph presentation reviews the use Adaptive Mesh Refinement (AMR) in simulating the Crustal Dynamics of Earth's Surface. AMR simultaneously improves solution quality, time to solution, and computer memory requirements when compared to generating/running on a globally fine mesh. The use of AMR in simulating the dynamics of the Earth's Surface is spurred by future proposed NASA missions, such as InSAR for Earth surface deformation and other measurements. These missions will require support for large-scale adaptive numerical methods using AMR to model observations. AMR was chosen because it has been successful in computation fluid dynamics for predictive simulation of complex flows around complex structures.

GeoFEST↗

NASA NTRS1983

Computational methods for aerodynamic design using numerical optimization

Five methods to increase the computational efficiency of aerodynamic design using numerical optimization, by reducing the computer time required to perform gradient calculations, are examined. The most promising method consists of drastically reducing the size of the computational domain on which aerodynamic calculations are made during gradient calculations. Since a gradient calculation requires the solution of the flow about an airfoil whose geometry was slightly perturbed from a base airfoil, the flow about the base airfoil is used to determine boundary conditions on the reduced computational domain. This method worked well in subcritical flow.

Peeters, M. F.↗

DOE OSTI2026

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID↗

DOE OSTI2024

Modeling of Macroscopic Dynamics in Three-Dimensional Plasma Configurations (Final Technical Report)

A numerical simulation-based study to investigate the stability properties of inherently three-dimensional plasma magnetic configurations is presented. These configurations, called stellarators and heliotrons, use external helical coils to provide the twisting magnetic field that is required to confine ionized plasma particles. In contrast to the tokamak configuration, which nominally has the property of axisymmetry, electrical current does not need to be induced in stellarator and heliotron plasma. Experiments have shown that these three-dimensional configurations are remarkably robust to macroscopic instability, even when driven to relatively high levels of plasma pressure. Our understanding of how the plasma is able to withstand macroscopic instability will be enhanced by the work proposed here. The effort will generalize existing numerical modeling capability, and it will apply the new capability to model macroscopic dynamics in these three-dimensional configurations. The development work has been applied to the NIMROD simulation code (https://nimrodteam.org) that was originally based on axisymmetric problem domains. It has been generalized to accommodate the three-dimensional shaping of the plasma volume in stellarators and heliotrons. Its use of equilibrium data has also been generalized, and the implementation allows different numerical representation of the magnetic field. Analysis has been performed to inform the selection of numerical methods, and a method to accelerate the iterative solution of the necessary algebraic systems has been developed and implemented. Verification of the new NIMSTELL code on benchmark problems has also been an important part of the effort.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1978

Photoacoustic spectroscopy of condensed matter

Photoacoustic spectroscopy is a new analytical tool that provides a simple nondestructive technique for obtaining information about the electronic absorption spectrum of samples such as powders, semisolids, gels, and liquids. It can also be applied to samples which cannot be examined by conventional optical methods. Numerous applications of this technique in the field of inorganic and organic semiconductors, biology, and catalysis have been described. Among the advantages of photoacoustic spectroscopy, the signal is almost insensitive to light scattering by the sample and information can be obtained about nonradiative deactivation processes. Signal saturation, which can modify the intensity of individual absorption bands in special cases, is a drawback of the method.

Somoano, R. B.↗

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 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 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 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↗

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↗

NASA NTRS1993

Computational reacting gas dynamics

In the study of high speed flows at high altitudes, such as that encountered by re-entry spacecrafts, the interaction of chemical reactions and other non-equilibrium processes in the flow field with the gas dynamics is crucial. Generally speaking, problems of this level of complexity must resort to numerical methods for solutions, using sophisticated computational fluid dynamics (CFD) codes. The difficulties introduced by reacting gas dynamics can be classified into three distinct headings: (1) the usually inadequate knowledge of the reaction rate coefficients in the non-equilibrium reaction system; (2) the vastly larger number of unknowns involved in the computation and the expected stiffness of the equations; and (3) the interpretation of the detailed reacting CFD numerical results. The research performed accepts the premise that reacting flows of practical interest in the future will in general be too complex or 'untractable' for traditional analytical developments. The power of modern computers must be exploited. However, instead of focusing solely on the construction of numerical solutions of full-model equations, attention is also directed to the 'derivation' of the simplified model from the given full-model. In other words, the present research aims to utilize computations to do tasks which have traditionally been done by skilled theoreticians: to reduce an originally complex full-model system into an approximate but otherwise equivalent simplified model system. The tacit assumption is that once the appropriate simplified model is derived, the interpretation of the detailed numerical reacting CFD numerical results will become much easier. The approach of the research is called computational singular perturbation (CSP).

Lam, S. H.↗

DOE OSTI2026

Enhancing photoionization rate calculations in low-temperature plasmas using spectral methods

Photoionization plays a central role in the development of streamer discharges and other non-equilibrium plasma phenomena. It creates seed electrons, which are essential for positive streamer propagation, allowing the ionization front to move forward. Because of this, accurate modeling of photoionization is very important for predicting streamer behavior and plasma evolution. The photoionization process in air (N 2 – O 2 mixture) is often described by the Zheleznyak model (1982). This model is usually solved through Helmholtz-type equations that approximate the Zheleznyak photoionization model (Zheleznyak et al. 1982) as Partial Differential Equations (PDEs). Conventional numerical methods, such as the Finite Difference Method (FDM) or Finite Volume Method (FVM), are widely used to solve these equations. Although they are prevalent, the computational cost of these methods due to their need for matrix operations and iterative solver is demanding. To address this challenge, this work develops a spectral solver based on the Fast Fourier Transform (FFT) combined with Discrete Cosine Transform (DCT) and Discrete Sine Transform (DST) to calculate the photoionization rate efficiently in an axisymmetric cylindrical domain. This method naturally satisfies the boundary conditions used in the model and converts the PDE into algebraic ones in spectral space. Thus, avoids the need for iterative matrix solvers. When compared with FDM results, it is demonstrated that the new solver not only maintains accuracy, but also reduces the computational cost, showing a performance increase of approximately 100 compared to FDM over a wide range of problem sizes. The method is parallelized using Message Passing Interface (MPI) and has been integrated into a fluid plasma model for streamer simulation. Here, this FFT-based approach provides a fast and reliable alternative for calculating photoionization in fluid models, helping large-scale plasma simulations run faster and efficiently, and allows higher-resolution simulation without extra computational cost.

Axisymmetric system↗