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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A Brownian dynamics study on ferrofluid colloidal dispersions using an iterative constraint method to satisfy Maxwell’s equations

Ferrofluids are often favored for their ability to be remotely positioned via external magnetic fields. The behavior of particles in ferromagnetic clusters under uniformly applied magnetic fields has been computationally simulated using the Brownian dynamics, Stokesian dynamics, and Monte Carlo methods. However, few methods have been established that effectively handle the basic principles of magnetic materials, namely, Maxwell’s equations. An iterative constraint method was developed to satisfy Maxwell’s equations when a uniform magnetic field is imposed on ferrofluids in a heterogeneous Brownian dynamics simulation that examines the impact of ferromagnetic clusters in a mesoscale particle collection. This was accomplished by allowing a particulate system in a simple shear flow to advance by a time step under a uniformly applied magnetic field, then adjusting the ferroparticles via an iterative constraint method applied over sub-volume length scales until Maxwell’s equations were satisfied. The resultant ferrofluid model with constraints demonstrates that the magnetoviscosity contribution is not as substantial when compared to homogeneous simulations that assume the material’s magnetism is a direct response to the external magnetic field. This was detected across varying intensities of particle-particle interaction, Brownian motion, and shear flow. Ferroparticle aggregation was still extensively present but less so than typically observed.

42 ENGINEERING↗
NASA NTRS1988

The solution of linear systems of equations with a structural analysis code on the NAS CRAY-2

Two methods for solving linear systems of equations on the NAS Cray-2 are described. One is a direct method; the other is an iterative method. Both methods exploit the architecture of the Cray-2, particularly the vectorization, and are aimed at structural analysis applications. To demonstrate and evaluate the methods, they were installed in a finite element structural analysis code denoted the Computational Structural Mechanics (CSM) Testbed. A description of the techniques used to integrate the two solvers into the Testbed is given. Storage schemes, memory requirements, operation counts, and reformatting procedures are discussed. Finally, results from the new methods are compared with results from the initial Testbed sparse Choleski equation solver for three structural analysis problems. The new direct solvers described achieve the highest computational rates of the methods compared. The new iterative methods are not able to achieve as high computation rates as the vectorized direct solvers but are best for well conditioned problems which require fewer iterations to converge to the solution.

Poole, Eugene L.↗
DOE OSTI2022

PyAMG: Algebraic Multigrid Solvers in Python

PyAMG is a Python package of algebraic multigrid (AMG) solvers and supporting tools for approximating the solution to large, sparse linear systems of algebraic equations, Ax = b, where A is an n × n sparse matrix. Sparse linear systems arise in a range of problems in science, from fluid flows to solid mechanics to data analysis. While the direct solvers available in SciPy’s sparse linear algebra package (scipy.sparse.linalg) are highly efficient, in many cases iterative methods are preferred due to overall complexity. However, the iterative methods in SciPy, such as CG and GMRES, often require an efficient preconditioner in order to achieve a lower complexity. Preconditioning is a powerful tool whereby the conditioning of the linear system and convergence rate of the iterative method are both dramatically improved. PyAMG constructs multigrid solvers for use as a preconditioner in this setting. A summary of multigrid and algebraic multigrid solvers can be found in Olson (2015a), in Olson (2015b), and in Falgout (2006); a detailed description can be found in Briggs et al. (2000) and Trottenberg et al. (2001).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach

A perturbative approximation of the state specific polarizable continuum model (PCM) symmetry-adapted cluster-configuration interaction (SAC-CI) method is proposed for efficient calculations of the electronic excitations and absorption spectra of molecules in solutions. This first-order PCM SAC-CI method considers the solvent effects on the energies of excited states up to the first-order with using the zeroth-order wavefunctions. This method can avoid the costly iterative procedure of the self-consistent reaction field calculations. The first-order PCM SAC-CI calculations well reproduce the results obtained by the iterative method for various types of excitations of molecules in polar and nonpolar solvents. The first-order contribution is significant for the excitation energies. The results obtained by the zeroth-order PCM SAC-CI, which considers the fixed ground-state reaction field for the excited-state calculations, are deviated from the results by the iterative method about 0.1 eV, and the zeroth-order PCM SAC-CI cannot predict even the direction of solvent shifts in n-hexane for many cases. The first-order PCM SAC-CI is applied to studying the solvatochromisms of (2,2{sup ′}-bipyridine)tetracarbonyltungsten [W(CO){sub 4}(bpy), bpy = 2,2{sup ′}-bipyridine] and bis(pentacarbonyltungsten)pyrazine [(OC){sub 5}W(pyz)W(CO){sub 5}, pyz = pyrazine]. The SAC-CI calculations reveal the detailed character of the excited states and the mechanisms of solvent shifts. The energies of metal to ligand charge transfer states are significantly sensitive to solvents. The first-order PCM SAC-CI well reproduces the observed absorption spectra of the tungsten carbonyl complexes in several solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Technical Note: Measuring contrast- and noise-dependent spatial resolution of an iterative reconstruction method in CT using ensemble averaging

Purpose: The spatial resolution of iterative reconstruction (IR) in computed tomography (CT) is contrast- and noise-dependent because of the nonlinear regularization. Due to the severe noise contamination, it is challenging to perform precise spatial-resolution measurements at very low-contrast levels. The purpose of this study was to measure the spatial resolution of a commercially available IR method using ensemble-averaged images acquired from repeated scans. Methods: A low-contrast phantom containing three rods (7, 14, and 21 HU below background) was scanned on a 128-slice CT scanner at three dose levels (CTDI{sub vol} = 16, 8, and 4 mGy). Images were reconstructed using two filtered-backprojection (FBP) kernels (B40 and B20) and a commercial IR method (sinogram affirmed iterative reconstruction, SAFIRE, Siemens Healthcare) with two strength settings (I40-3 and I40-5). The same scan was repeated 100 times at each dose level. The modulation transfer function (MTF) was calculated based on the edge profile measured on the ensemble-averaged images. Results: The spatial resolution of the two FBP kernels, B40 and B20, remained relatively constant across contrast and dose levels. However, the spatial resolution of the two IR kernels degraded relative to FBP as contrast or dose level decreased. For a given dose level at 16 mGy, the MTF{sub 50%} value normalized to the B40 kernel decreased from 98.4% at 21 HU to 88.5% at 7 HU for I40-3 and from 97.6% to 82.1% for I40-5. At 21 HU, the relative MTF{sub 50%} value decreased from 98.4% at 16 mGy to 90.7% at 4 mGy for I40-3 and from 97.6% to 85.6% for I40-5. Conclusions: A simple technique using ensemble averaging from repeated CT scans can be used to measure the spatial resolution of IR techniques in CT at very low contrast levels. The evaluated IR method degraded the spatial resolution at low contrast and high noise levels.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

SU-E-T-436: Fluence-Based Trajectory Optimization for Non-Coplanar VMAT

Purpose: To investigate a fluence-based trajectory optimization technique for non-coplanar VMAT for brain cancer. Methods: Single-arc non-coplanar VMAT trajectories were determined using a heuristic technique for five patients. Organ at risk (OAR) volume intersected during raytracing was minimized for two cases: absolute volume and the sum of relative volumes weighted by OAR importance. These trajectories and coplanar VMAT formed starting points for the fluence-based optimization method. Iterative least squares optimization was performed on control points 24° apart in gantry rotation. Optimization minimized the root-mean-square (RMS) deviation of PTV dose from the prescription (relative importance 100), maximum dose to the brainstem (10), optic chiasm (5), globes (5) and optic nerves (5), plus mean dose to the lenses (5), hippocampi (3), temporal lobes (2), cochleae (1) and brain excluding other regions of interest (1). Control point couch rotations were varied in steps of up to 10° and accepted if the cost function improved. Final treatment plans were optimized with the same objectives in an in-house planning system and evaluated using a composite metric - the sum of optimization metrics weighted by importance. Results: The composite metric decreased with fluence-based optimization in 14 of the 15 plans. In the remaining case its overall value, and the PTV and OAR components, were unchanged but the balance of OAR sparing differed. PTV RMS deviation was improved in 13 cases and unchanged in two. The OAR component was reduced in 13 plans. In one case the OAR component increased but the composite metric decreased - a 4 Gy increase in OAR metrics was balanced by a reduction in PTV RMS deviation from 2.8% to 2.6%. Conclusion: Fluence-based trajectory optimization improved plan quality as defined by the composite metric. While dose differences were case specific, fluence-based optimization improved both PTV and OAR dosimetry in 80% of cases.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Normality of Monte Carlo criticality eigenfunction decomposition coefficients

A proof is presented, which shows that after a single Monte Carlo (MC) neutron transport power method iteration without normalization, the coefficients of an eigenfunction decomposition of the fission source density are normally distributed when using analog or implicit capture MC. Using a Pearson correlation coefficient test, the proof is corroborated by results from a uniform slab reactor problem, and those results also suggest that the coefficients are normally distributed with normalization. The proof and numerical test results support the application of earlier work on the convergence of eigenfunctions under stochastic operators. Knowledge of the Gaussian shape of decomposition coefficients allows researchers to determine an appropriate level of confidence in the distribution of fission sites taken from a MC simulation. This knowledge of the shape of the probability distributions of decomposition coefficients encourages the creation of new predictive convergence diagnostics. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRSDate not supplied

Comparison of Two Load Prediction Methods for Strain-Gage Balances

Data from a five-component semi-span balance is used to perform a systematic comparison of the load prediction accuracy of two load prediction methods. Both methods independently obtain the load prediction equations from multivariate least squares fits of balance calibration data. The first method is called the Non-Iterative Method. This approach directly uses regression models of the individual load components of a balance for the load prediction. The second method is called the Iterative Method. This alternate approach uses a load iteration equation for the load prediction that is constructed from the regression coefficients of the gage outputs of the balance. Basic characteristics of the two methods are reviewed. Afterwards, both methods are applied to calibration, check load, and wind tunnel test data of a five-component semi-span balance. Selected analysis results are compared. These comparisons confirm that the accuracy of the two methods is the same for all practical purposes.

strain-gage balance↗
NASA NTRS2012

Calibration and Data Analysis of the MC-130 Air Balance

Design, calibration, calibration analysis, and intended use of the MC-130 air balance are discussed. The MC-130 balance is an 8.0 inch diameter force balance that has two separate internal air flow systems and one external bellows system. The manual calibration of the balance consisted of a total of 1854 data points with both unpressurized and pressurized air flowing through the balance. A subset of 1160 data points was chosen for the calibration data analysis. The regression analysis of the subset was performed using two fundamentally different analysis approaches. First, the data analysis was performed using a recently developed extension of the Iterative Method. This approach fits gage outputs as a function of both applied balance loads and bellows pressures while still allowing the application of the iteration scheme that is used with the Iterative Method. Then, for comparison, the axial force was also analyzed using the Non-Iterative Method. This alternate approach directly fits loads as a function of measured gage outputs and bellows pressures and does not require a load iteration. The regression models used by both the extended Iterative and Non-Iterative Method were constructed such that they met a set of widely accepted statistical quality requirements. These requirements lead to reliable regression models and prevent overfitting of data because they ensure that no hidden near-linear dependencies between regression model terms exist and that only statistically significant terms are included. Finally, a comparison of the axial force residuals was performed. Overall, axial force estimates obtained from both methods show excellent agreement as the differences of the standard deviation of the axial force residuals are on the order of 0.001 % of the axial force capacity.

Booth, Dennis↗
NASA NTRS1999

A Method to Solve Interior and Exterior Camera Calibration Parameters for Image Resection

An iterative method is presented to solve the internal and external camera calibration parameters, given model target points and their images from one or more camera locations. The direct linear transform formulation was used to obtain a guess for the iterative method, and herein lies one of the strengths of the present method. In all test cases, the method converged to the correct solution. In general, an overdetermined system of nonlinear equations is solved in the least-squares sense. The iterative method presented is based on Newton-Raphson for solving systems of nonlinear algebraic equations. The Jacobian is analytically derived and the pseudo-inverse of the Jacobian is obtained by singular value decomposition.

Samtaney, Ravi↗
NASA NTRS1974

Computation of steady axisymmetric flow using a one-dimensional time-dependent method

An iterative numerical method for computing steady, three dimensional, viscous, compressible flow fields, about aerodynamic bodies was studied. In order to develop the iterative method economically, the primary emphasis was directed towards supersonic, axisymmetric flow. However, the technique readily extends to three spatial dimensions. The viscous flow field about a cone-cylinder-flare body was calculated and compared to existing experimental data. Numerical predictions of the cone boundary layer and the flow field shock wave structure agreed with corresponding measurements. A separation was calculated at the cylinder-flare junction in six iterations; however, the size of the vortex did not correspond to the measured size. It was estimated that fifty iterations would be required to properly define the vortex. It was concluded that the iteration technique is of limited value for plane two dimensional and axisymmetrix flows, but of great value for three-dimensional flows.

Walitt, L.↗
NASA NTRS2019

Comparison of Electrical Output Format Options for the Analysis of Strain-Gage Balance Calibration Data

Fundamental characteristics of three gage output formats are discussed that may be used to both interpret and analyze wind tunnel strain-gage balance data. The first output format uses raw outputs, i.e., absolute voltage measurements, for the analysis. This choice requires an intercept term in the regression model of the outputs if the Iterative Method is chosen for the load prediction. Raw outputs can be used for the analysis of all known output characteristics as long as the Iterative Method is applied. However, raw outputs cannot be used to analyze data of a balance with bi-directional outputs if the Non-Iterative Method is chosen for the analysis. The second output format, i.e., difference type 1, uses the difference between raw outputs and the natural zeros of the balance gages for the analysis. In this case, the use of the intercept term becomes optional. Analysis results for difference type 1 will exactly match analysis results obtained by using raw outputs as long as identical math models are used for the regression analysis. In addition, difference type 1 may be used to analyze data of a balance with bi directional outputs if an analyst prefers to process data using the Non-Iterative Method. The third output format, i.e., difference type 2, uses the difference between raw outputs and the outputs of the zero load point of a load series for the data analysis. The application of this format is only recommended if the maximum magnitude of all tare loads of a given balance calibration data set is less than two percent of capacity. Data from the calibration of a force balance is used to illustrate the application of the three gage output formats.

Wind Tunnel Strain-Gage Balance↗
NASA NTRS2016

Improved Convergence and Robustness of USM3D Solutions on Mixed-Element Grids

Several improvements to the mixed-elementUSM3Ddiscretization and defect-correction schemes have been made. A new methodology for nonlinear iterations, called the Hierarchical Adaptive Nonlinear Iteration Method, has been developed and implemented. The Hierarchical Adaptive Nonlinear Iteration Method provides two additional hierarchies around a simple and approximate preconditioner of USM3D. The hierarchies are a matrix-free linear solver for the exact linearization of Reynolds-averaged Navier-Stokes equations and a nonlinear control of the solution update. Two variants of the Hierarchical Adaptive Nonlinear Iteration Method are assessed on four benchmark cases, namely, a zero-pressure-gradient flat plate, a bump-in-channel configuration, the NACA 0012 airfoil, and a NASA Common Research Model configuration. The new methodology provides a convergence acceleration factor of 1.4 to 13 over the preconditioner-alone method representing the baseline solver technology.

Pandya, Mohagna J.↗
NASA NTRS2016

Improved Convergence and Robustness of USM3D Solutions on Mixed-Element Grids

Several improvements to the mixed-element USM3D discretization and defect-correction schemes have been made. A new methodology for nonlinear iterations, called the Hierarchical Adaptive Nonlinear Iteration Method, has been developed and implemented. The Hierarchical Adaptive Nonlinear Iteration Method provides two additional hierarchies around a simple and approximate preconditioner of USM3D. The hierarchies are a matrix-free linear solver for the exact linearization of Reynolds-averaged Navier-Stokes equations and a nonlinear control of the solution update. Two variants of the Hierarchical Adaptive Nonlinear Iteration Method are assessed on four benchmark cases, namely, a zero-pressure-gradient flat plate, a bump-in-channel configuration, the NACA 0012 airfoil, and a NASA Common Research Model configuration. The new methodology provides a convergence acceleration factor of 1.4 to 13 over the preconditioner-alone method representing the baseline solver technology.

Pandya, Mohagna J.↗
NASA NTRS2003

Analytic Solution to the Problem of Aircraft Electric Field Mill Calibration

It is by no means a simple task to retrieve storm electric fields from an aircraft instrumented with electric field mill sensors. The presence of the aircraft distorts the ambient field in a complicated way. Before retrievals of the storm field can be made, the field mill measurement system must be "calibrated". In other words, a relationship between impressed (i.e., ambient) electric field and mill output must be established. If this relationship can be determined, it is mathematically inverted so that ambient field can be inferred from the mill outputs. Previous studies have primarily focused on linear theories where the relationship between ambient field and mill output is described by a "calibration matrix" M. Each element of the matrix describes how a particular component of the ambient field is enhanced by the aircraft. For example the product M(sub ix), E(sub x), is the contribution of the E(sub x) field to the i(th) mill output. Similarly, net aircraft charge (described by a "charge field component" E(sub q)) contributes an amount M(sub iq)E(sub q) to the output of the i(th) sensor. The central difficulty in obtaining M stems from the fact that the impressed field (E(sub x), E(sub y), E(sub z), E(sub q) is not known but is instead estimated. Typically, the aircraft is flown through a series of roll and pitch maneuvers in fair weather, and the values of the fair weather field and aircraft charge are estimated at each point along the aircraft trajectory. These initial estimates are often highly inadequate, but several investigators have improved the estimates by implementing various (ad hoc) iterative methods. Unfortunately, none of the iterative methods guarantee absolute convergence to correct values (i.e., absolute convergence to correct values has not been rigorously proven). In this work, the mathematical problem is solved directly by analytic means. For m mills installed on an arbitrary aircraft, it is shown that it is possible to solve for a single 2m-vector that provides all other needed variables (i.e., the unknown fair weather field, the unknown aircraft charge, and the unknown matrix M). Numerical tests of the solution, effects of measurement errors, and studies of solution non-uniqueness are ongoing as of this writing.

Koshak, William↗
NASA NTRSDate not supplied

A Universal Algorithm for the Detection of Bi-directional Gage Output Characteristics

A universal algorithm was developed that may be used to assess the bi-directional characteristics of the gage outputs of a wind tunnel strain-gage balance. The algorithm assumes that balance loads and gage outputs are described in the design format of the balance. It can also be applied to balance calibration data that is processed by using either the Iterative Method or the Non-Iterative Method. The algorithm uses an estimate of the bi-directional part of a gage output at load capacity as input. In addition, the statistical significance of the principle absolute value term in the regression model of either the gage output or the related primary load component is determined. A gage output is assumed to be bi-directional if two conditions are fulfilled: the bi-directional part of the output at load capacity exceeds 0.5 percent of the maximum output at load capacity; the p-value of the principle absolute value term of the regression model of the balance data is less than the threshold of 0.001. Data from the calibration of two six-component force balances and one five-component semi-span balance are used to illustrate the application of the universal detection algorithm.

wind tunnel test↗
DOE OSTI2016

Space-Dependent Wielandt Shift Methods for Multigroup Diffusion Eigenvalue Problems

In the calculation of neutronic eigenfunctions and eigenvalues, it is often desirable to approximate the neutron transport equation by a diffusion equation that requires significantly less computational resources to solve. Even when a full transport solution is needed, the solution of the diffusion system can be used to accelerate iterative methods for calculating the transport eigenfunction and eigenvalue. The convergence rate of the basic power iteration method for eigenvalue problems is governed by the dominance ratio; realistic reactor core problems often have high dominance ratios and the power iteration method can converge slowly as a result. A common technique for accelerating the convergence of power iteration is the Wielandt shift (WS) method, which reduces the dominance ratio by 'shifting' the eigenvalue spectrum using an estimate of the desired eigenvalue. WS provides a significant speedup over power iteration if the eigenvalue estimate is close to the true eigenvalue, but it can be difficult to obtain such an estimate. In practice, the shift in the WS method can be dynamically updated in the iteration scheme, in a way that depends on the eigenvalue estimates from the most recent iterations. We present a physically-motivated Space-Dependent Wielandt Shift (SDWS) for solving multigroup diffusion eigenvalue problems. The space-dependence of the eigenvalue shift in SDWS enables a more effective acceleration of the power iteration scheme than WS at the beginning of the iteration scheme, when the current estimate of the eigenvalue is not close to the actual eigenvalue. Several variants of SDWS are discussed here, including an SDWS method that combines the strengths of SDWS (in the early iterations) with those of standard WS (in the later iterations). Numerical results from a 1-D multigroup diffusion problem demonstrate an order of magnitude speedup over power iteration and a 41% speedup over a standard WS technique. This speedup is problem-dependent and appears to be greater for 'more difficult' problems. In this summary, the term 'speedup' refers to a reduction in the number of iterations required to converge to the correct eigenvalue and eigenfunction. Because the scattering is treated fully implicitly (i.e., it is part of the left-hand side of the diffusion system and directly inverted), the computational cost of a single iteration does not vary significantly among the methods discussed in this summary. The number of iterations is therefore representative of the total computational cost for a method. We acknowledge that certain iterative solvers for linear systems (e.g., GMRES) require more computational time to converge when the system is nearly singular (i.e., when a very aggressive Wielandt shift is applied). Nonetheless, when using SDWS in the manner described in this summary, we have seen that the reduction in computational time from reducing the number of power iterations generally outweighs the extra computational time required by iterative solvers such as GMRES. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗