Search NASA⌕ Search

SEARCH · Search NASA

Results for “splitting methods”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

A numerical procedure for analysis of finite rate reacting flows

Combustion processes in rocket propulsion systems are characterized by the existence of multiple, vastly differing time and length scales, as well as flow-speeds at wide variation of Mach numbers. The chemical kinetics processes in the highly active reaction zone are characterized by much smaller scales compared to fluid convective and diffusive time scales. An operator splitting procedure for transient finite rate chemistry problems has been developed using a pressure based method, which can be applied to all speed flows without difficulties. The splitting of chemical kinetics terms formed the fluid-mechanical terms of the species equation ameliorated the difficulties associated with the disparate time scales and stiffness in the set of equations which describes highly exothermic combustion. A combined efficient ordinary differential equations (ODE) solver was used to integrate the effective chemical source terms over the residence time at each grid cell. One and two dimensional reacting flow situations were carried out to demonstrate and verify the current procedure. Different chemical kinetics with different degrees of nonlinearity have also been incorporated to test the robustness and generality of the proposed method.

Shang, H. M.↗
DOE OSTI2025

127 Xe quantification method development and intercomparison exercise

Monitoring of the atmosphere for fission products ( 131m Xe, 133m Xe, 133 Xe, and 135 Xe) is performed by various laboratories to detect nuclear explosions. Quantification of 127 Xe is not routinely performed by laboratories measuring atmospheric radioxenon because it is not a fission product. 127 Xe was recently detected by a ground-based beta-gamma air monitoring system. When measured using beta-gamma coincidence detector systems, such as those in use on the International Monitoring System (IMS) of the Comprehensive Nuclear-Test-Ban Treaty (CTBT), 127 Xe can interfere with the quantification of fission product radioxenon due to overlap of the 127 Xe beta-gamma coincidence signatures with those of fission product radioxenon. Here, this work demonstrates quantification of 127 Xe at different laboratories with different measurement techniques. Production and purification of 127 Xe was performed by neutron activation of enriched 126 Xe. The purified 127 Xe was then split between laboratories, and detection and quantification methods were developed. At Idaho National Laboratory, a quantification method involving high purity germanium detectors was devised that included self-attenuation correction. At AWE, a beta-gamma coincidence counting method, as used in support of the IMS, was modified to enable the measurement and analysis of the 127 Xe samples. Corrections were made for self-attenuation, which showed a strong xenon volume dependency, for some coincidence signatures. The gas sample activity concentration was used as the comparison metric and it showed excellent agreement between the methods.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

A gauge-compatible Hamiltonian splitting algorithm for particle-in-cell simulations using finite element exterior calculus

A particle-in-cell algorithm is derived with a canonical Poisson structure in the formalism of finite element exterior calculus. The resulting method belongs to the class of gauge-compatible splitting algorithms, which exactly preserve gauge symmetries and their associated conservation laws via the momentum map. We numerically demonstrate this time invariance of the momentum map and its usefulness in establishing precise initial conditions with a desired initial electric field and fixed background charge. The restriction of this canonical, finite element Poisson structure to the 1X2P $1\frac {1}{2}$ -dimensional phase space is also considered and simulated numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Application of Quantum Computing to Biochemical Systems: A Look to the Future

Chemistry is considered as one of the more promising applications to science of near-term quantum computing. Recent work in transitioning classical algorithms to a quantum computer has led to great strides in improving quantum algorithms and illustrating their quantum advantage. Because of the limitations of near-term quantum computers, the most effective strategies split the work over classical and quantum computers. There is a proven set of methods in computational chemistry and materials physics that has used this same idea of splitting a complex physical system into parts that are treated at different levels of theory to obtain solutions for the complete physical system for which a brute force solution with a single method is not feasible. These methods are variously known as embedding, multi-scale, and fragment techniques and methods. We review these methods and then propose the embedding approach as a method for describing complex biochemical systems, with the parts not only treated with different levels of theory, but computed with hybrid classical and quantum algorithms. Such strategies are critical if one wants to expand the focus to biochemical molecules that contain active regions that cannot be properly explained with traditional algorithms on classical computers. While we do not solve this problem here, we provide an overview of where the field is going to enable such problems to be tackled in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Lattice-QCD Computable Quark Correlation Functions at Three-Loop Order and Extraction of Splitting Functions

We present the first complete next-to-next-to-next-to-leading-order calculation of the matching coefficients that link unpolarized flavor nonsinglet parton distribution functions with lattice QCD computable correlation functions. By using this high-order result, we notice a reduction in theoretical uncertainties compared to relying solely on previously known lower-order matching coefficients. Furthermore, based on this result we have extracted the three-loop unpolarized flavor nonsinglet splitting function, which is in agreement with the state-of-the-art result. Because of the simplicity of our method, it has the potential to advance the calculation of splitting functions to the desired four-loop order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2013

Tool for Automated Retrieval of Generic Event Tracks (TARGET)

Methods have been developed to identify and track tornado-producing mesoscale convective systems (MCSs) automatically over the continental United States, in order to facilitate systematic studies of these powerful and often destructive events. Several data sources were combined to ensure event identification accuracy. Records of watches and warnings issued by National Weather Service (NWS), and tornado locations and tracks from the Tornado History Project (THP) were used to locate MCSs in high-resolution precipitation observations and GOES infrared (11-micron) Rapid Scan Operation (RSO) imagery. Thresholds are then applied to the latter two data sets to define MCS events and track their developments. MCSs produce a broad range of severe convective weather events that are significantly affecting the living conditions of the populations exposed to them. Understanding how MCSs grow and develop could help scientists improve their weather prediction models, and also provide tools to decision-makers whose goals are to protect populations and their property. Associating storm cells across frames of remotely sensed images poses a difficult problem because storms evolve, split, and merge. Any storm-tracking method should include the following processes: storm identification, storm tracking, and quantification of storm intensity and activity. The spatiotemporal coordinates of the tracks will enable researchers to obtain other coincident observations to conduct more thorough studies of these events. In addition to their tracked locations, their areal extents, precipitation intensities, and accumulations all as functions of their evolutions in time were also obtained and recorded for these events. All parameters so derived can be catalogued into a moving object database (MODB) for custom queries. The purpose of this software is to provide a generalized, cross-platform, pluggable tool for identifying events within a set of scientific data based upon specified criteria with the possibility of storing identified events into a searchable database. The core of the application uses an implementation of the connected component labeling (CCL) algorithm to identify areas of interest, then uses a set of criteria to establish spatial and temporal relationships between identified components. The CCL algorithm is used for identifying objects within images for computer vision. This application applies it to scientific data sets using arbitrary criteria. The most novel concept was applying a generalized CCL implementation to scientific data sets for establishing events both spatially and temporally. The combination of several existing concepts (pluggable components, generalized CCL algorithm, etc.) into one application is also novel. In addition, how the system is designed, i.e., its extensibility with pluggable components, and its configurability with a simple configuration file, is innovative. This allows the system to be applied to new scenarios with ease.

Clune, Thomas↗
NASA NTRS1989

A time accurate finite volume method for propulsion chamber flows

An implicit three-dimensional time-accurate method for propulsion chamber flows is proposed which uses line Gauss-Seidel relaxation and multiple axial sweeps for the convergence of each time step. The general time-integration algorithm employed includes such schemes as the Euler implicit method. The results of spatial and temporal accuracy tests reveal that Roe's (1981) flux difference splitting provides excellent tracking of acoustic wave speeds. In comparison with other methods, no low mean flow Mach number convergence limitation or Courant number stabilization restriction is observed.

Beddini, R. A.↗
NASA NTRS2001

Entropy Splitting for High Order Numerical Simulation of Vortex Sound at Low Mach Numbers

A method of minimizing numerical errors, and improving nonlinear stability and accuracy associated with low Mach number computational aeroacoustics (CAA) is proposed. The method consists of two levels. From the governing equation level, we condition the Euler equations in two steps. The first step is to split the inviscid flux derivatives into a conservative and a non-conservative portion that satisfies a so called generalized energy estimate. This involves the symmetrization of the Euler equations via a transformation of variables that are functions of the physical entropy. Owing to the large disparity of acoustic and stagnation quantities in low Mach number aeroacoustics, the second step is to reformulate the split Euler equations in perturbation form with the new unknowns as the small changes of the conservative variables with respect to their large stagnation values. From the numerical scheme level, a stable sixth-order central interior scheme with a third-order boundary schemes that satisfies the discrete analogue of the integration-by-parts procedure used in the continuous energy estimate (summation-by-parts property) is employed.

Mueller, B.↗
DOE OSTI2022

An unconditionally stable, time-implicit algorithm for solving the one-dimensional Vlasov–Poisson system

The development of an implicit, unconditionally stable, numerical method for solving the Vlasov–Poisson system in one dimension using a phase-space grid is presented. The algorithm uses the Crank–Nicolson discretization scheme and operator splitting allowing for direct solution of the finite difference equations. This method exactly conserves particle number, enstrophy and momentum. A variant of the algorithm which does not use splitting also exactly conserves energy but requires the use of iterative solvers. This algorithm has no dissipation and thus fine-scale variations can lead to oscillations and the production of negative values of the distribution function. We find that overall, the effects of negative values of the distribution function are relatively benign. We consider a variety of test cases that have been used extensively in the literature where numerical results can be compared with analytical solutions or growth rates. We examine higher-order differencing and construct higher-order temporal updates using standard composition methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Long term durability test and post mortem for metal-supported solid oxide electrolysis cells

Hydrogen is a renewable energy carrier, and electrolysis to split water is the most environmentally friendly method to produce hydrogen. This work reports long-term durability and degradation mode analysis for metal-supported solid oxide electrolysis cells (MS-SOECs). Catalyst screening showed that MS-SOECs with composite electrode catalysts (samarium-doped ceria-nickel [SDC-Ni] serving as a fuel electrode catalyst, and praseodymium oxide [PrO x ]-SDC or La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3 [LSCF]-SDC serving as an air electrode catalyst) exhibit the highest electrochemical performance at 700 °C. The degradation rate of cells with LSCF-SDC as the air electrode catalyst was as low as 1.3%/100 h in long term durability tests at a current density of 0.33 A cm -2 , in contrast to rapid degradation observed for a cell with a PrO x -SDC air electrode. Furthermore, post-mortem analysis reveals the degradation is dependent on the primary modes of fuel electrode catalyst coarsening and Cr poisoning on the air electrode catalyst, as well as secondary modes of oxidation of the metal support and local elemental accumulation of Ni. Other degradation modes reported in conventional anode-supported SOECs, such as Ni migration, foreign element contamination, delamination of the cell, and nano-voids on the electrolyte, are not observed in the present MS-SOECs.

25 ENERGY STORAGE↗
DOE OSTI2024

The collisional particle-in-cell method for the Vlasov–Maxwell–Landau equations

We introduce an extension of the particle-in-cell method that captures the Landau collisional effects in the Vlasov–Maxwell–Landau equations. The method arises from a regularisation of the variational formulation of the Landau equation, leading to a discretisation of the collision operator that conserves mass, charge, momentum and energy, while increasing the (regularised) entropy. The collisional effects appear as a fully deterministic effective force, thus the method does not require any transport–collision splitting. The scheme can be used in arbitrary dimension, and for a general interaction, including the Coulomb case. We validate the scheme on scenarios such as the Landau damping, the two-stream instability and the Weibel instability, demonstrating its effectiveness in the numerical simulation of plasma.

Bailo, Rafael (ORCID:0000000180183799)↗
DOE OSTI2024

Exact wave solver for nonparaxial laser beam propagation

Simulations of inertial confinement fusion (ICF) experiments require high-fidelity models for laser beam propagation in a nonuniform plasma with varying index of refraction. We describe a new numerical wave solver that is applicable to centimeter-scale length plasmas encountered in indirect drive ICF applications. The one-way Helmholtz equation (OHE) generalizes the time-harmonic paraxial wave equation to large angles. Here, we present a methodology to numerically evaluate the exact solution to the OHE. This solution is computed by analytically advancing eigenfunctions of the one-way Helmholtz operator along a propagation direction and is applicable to any given index of a refraction profile. We compare our exact method with a commonly used approximate split-step technique for solving the OHE. As a test problem, we consider nonparaxial propagation of Gaussian and speckled beams in a plasma density channel with internal reflection. We find that the split-step approach incurs significant errors compared to the exact solution computed using the novel algorithm.

Belyaev, Mikhail A. (ORCID:0000000224908887)↗
DOE OSTI2021

Computationally Accelerated Discovery and Experimental Demonstration of Gd0.5La0.5Co0.5Fe0.5O3 for Solar Thermochemical Hydrogen Production

Solar thermochemical hydrogen (STCH) production is a promising method to generate carbon neutral fuels by splitting water utilizing metal oxide materials and concentrated solar energy. The discovery of materials with enhanced water-splitting performance is critical for STCH to play a major role in the emerging renewable energy portfolio. While perovskite materials have been the focus of many recent efforts, materials screening can be time consuming due to the myriad chemical compositions possible. This can be greatly accelerated through computationally screening materials parameters including oxygen vacancy formation energy, phase stability, and electron effective mass. In this work, the perovskite Gd 0.5 La 0.5 Co 0.5 Fe 0.5 O 3 (GLCF), was computationally determined to be a potential water splitter, and its activity was experimentally demonstrated. During water splitting tests with a thermal reduction temperature of 1,350°C, hydrogen yields of 101 μmol/g and 141 μmol/g were obtained at re-oxidation temperatures of 850 and 1,000°C, respectively, with increasing production observed during subsequent cycles. This is a significant improvement from similar compounds studied before (La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3 and LaFe 0.75 Co 0.25 O 3 ) that suffer from performance degradation with subsequent cycles. Confirmed with high temperature x-ray diffraction (HT-XRD) patterns under inert and oxidizing atmosphere, the GLCF mainly maintained its phase while some decomposition to Gd 2-x La x O 3 was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Comparative studies of grain size separates of 60009

Five samples from 60009, the lower half of a double drive tube, were analyzed via grain-size methods, with particle types classified and counted in the coarser grain sizes. Studies were undertaken of particle types and distributions by petrographic methods, of magnetic fractions, of the size splits and magnetic splits as analyzed by ferromagnetic resonance (FMR) techniques, of maturity (based on agglutinate content, FMR index Is/FeO, mean size of sub-cm material, magnetic fraction), of possible reworking or mixing in situ, and of depositional history. Maturity indices are in substantial agreement for all of the five samples. Strong positive correlation of percent agglutinates and percent bedrock-derived lithic fragments, combined with negative correlation of those components with percent single crystal plagioclase, argue against in situ reworking of the same soil.

Mckay, D. S.↗
NASA NTRS1985

AOTV bluff body flow - Relaxation algorithm

Preliminary investigations have led to the consideration of two classes of energy efficient aeroassisted orbital transfer vehicle (AOTV) concepts, with high and low L/D. The AOTV represent reentry space vehicles which are to fly hypersonically in the continuum upper reaches of the atmosphere. Problems arise in connection with convective and nonequilibrium radiative heating. As the possibilities for obtaining needed information by experimentation are limited, reliance must be placed on computational techniques to simulate testing of design concepts. A new relaxation algorithm for the compressible Navier-Stokes equations has been developed in the context of recent work with a conservative flux difference eigenvector split implicit upwind scheme CSCM (conservative supracharacteristics method). Attention is given to the CSCM implicit method, and early results for axisymmetric bluff body flow including complete forebody and base flow for a free flight range model drag brake AOTV.

Lombard, C. K.↗
NASA NTRS1990

A multiblock multigrid three-dimensional Euler equation solver

Current aerodynamic designs are often quite complex (geometrically). Flexible computational tools are needed for the analysis of a wide range of configurations with both internal and external flows. In the past, geometrically dissimilar configurations required different analysis codes with different grid topologies in each. The duplicity of codes can be avoided with the use of a general multiblock formulation which can handle any grid topology. Rather than hard wiring the grid topology into the program, it is instead dictated by input to the program. In this work, the compressible Euler equations, written in a body-fitted finite-volume formulation, are solved using a pseudo-time-marching approach. Two upwind methods (van Leer's flux-vector-splitting and Roe's flux-differencing) were investigated. Two types of explicit solvers (a two-step predictor-corrector and a modified multistage Runge-Kutta) were used with multigrid acceleration to enhance convergence. A multiblock strategy is used to allow greater geometric flexibility. A report on simple explicit upwind schemes for solving compressible flows is included.

Cannizzaro, Frank E.↗
NASA NTRS1995

Simulating the interaction of the heliosphere with the local interstellar medium: MHD results from a finite volume approach, first bidimensional results

We have designed a full compressible MHD code working on unstructured meshes in order to be able to compute accurately sharp structures embedded in large scale simulations. The code is based on a finite volume method making use of a kinetic flux splitting. A bidimensional version of the code has been used to simulate the interaction of a moving interstellar medium, magnetized or unmagnetized with a rotating and magnetized heliopspheric plasma source. Being aware that these computations are not realistic due to the restriction to two dimensions, we present it to demonstrate the ability of this new code to handle this problem. An axisymetric version, now under development, will be operational in a few months. Ultimately we plan to run a full 3d version.

Chanteur, G.↗