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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Efficient and robust phase-split computations in the internal energy, volume, and moles ( UVN ) space

Phase-split computations in an isolated system, which in general may be defined as one where the total internal energy (U), volume (V), and the number of moles (N = N 1 , N 2 ,..., N n ) of the components are fixed at some specified set of values, involves the determination of the temperature (T), pressure (P), plus the amount and composition of the various phases that constitute the system. A simpler, but analogous problem is one where T, P, and N are specified instead. In TPN space, one may first perform a stability analysis to determine whether the system is stable, meaning whether at equilibrium it will split up into multiple phases or remain in single phase. If the single-phase state is unstable, the stability analysis reliably provides a good set of initial guesses in the subsequent phase-split computations. In UVN space, however, we demonstrate that the stability analysis (which is the main subject of our earlier study [1]) may not in general provide good enough initial guesses; we offer alternative strategies for setting up good initial guesses. Furthermore, we show that a combination of successive substitution iteration (SSI) and Newton's method---two iterative methods that are prevalent in the literature in TPN space---facilitates a robust and efficient algorithm for phase-split computations in isolated systems. Finally, this combination has so far not been applied in UVN space.

02 PETROLEUM↗
DOE OSTI2014

TH-A-18C-07: Noise Suppression in Material Decomposition for Dual-Energy CT

Purpose: A general problem of dual-energy CT (DECT) is that the decomposition is sensitive to noise in the two sets of dual-energy projection data, resulting in severely degraded qualities of decomposed images. We have previously proposed an iterative denoising method for DECT. Using a linear decomposition function, the method does not gain the full benefits of DECT on beam-hardening correction. In this work, we expand the framework of our iterative method to include non-linear decomposition models for noise suppression in DECT. Methods: We first obtain decomposed projections, which are free of beam-hardening artifacts, using a lookup table pre-measured on a calibration phantom. First-pass material images with high noise are reconstructed from the decomposed projections using standard filter-backprojection reconstruction. Noise on the decomposed images is then suppressed by an iterative method, which is formulated in the form of least-square estimation with smoothness regularization. Based on the design principles of a best linear unbiased estimator, we include the inverse of the estimated variance-covariance matrix of the decomposed images as the penalty weight in the least-square term. Analytical formulae are derived to compute the variance-covariance matrix from the measured decomposition lookup table. Results: We have evaluated the proposed method via phantom studies. Using non-linear decomposition, our method effectively suppresses the streaking artifacts of beam-hardening and obtains more uniform images than our previous approach based on a linear model. The proposed method reduces the average noise standard deviation of two basis materials by one order of magnitude without sacrificing the spatial resolution. Conclusion: We propose a general framework of iterative denoising for material decomposition of DECT. Preliminary phantom studies have shown the proposed method improves the image uniformity and reduces noise level without resolution loss. In the future, we will perform more phantom studies to further validate the performance of the purposed method. This work is supported by a Varian MRA grant.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Iterative Boltzmann plot method for temperature and pressure determination in a xenon high pressure discharge lamp

The Boltzmann plot method allows to calculate plasma temperatures and pressures if absolutely calibrated emission coefficients of spectral lines are available. However, xenon arcs are not very well suited to be analyzed this way, as there are only a limited number of lines with atomic data available. These lines have high excitation energies in a small interval between 9.8 and 11.5 eV. Uncertainties in the experimental method and in the atomic data further limit the accuracy of the evaluation procedure. This may result in implausible values of temperature and pressure with inadmissible uncertainty. To omit these shortcomings, an iterative scheme is proposed that is making use of additional information about the xenon fill pressure. This method is proved to be robust against noisy data and significantly reduces the uncertainties. Intentionally distorted synthetic data are used to illustrate the performance of the method, and measurements performed on a laboratory xenon high pressure discharge lamp are analyzed resulting in reasonable temperatures and pressures with significantly reduced uncertainties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

A review of nonstatistical techniques for the estimation of vertical atmospheric structure from remote infrared measurements

Mathematical techniques used in atmospheric profile inversion are reviewed, with the discussion limited to methods that do not require extensive information on the statistical properties of the profiles. The basic problem of the calculation of vertical profiles from noise contaminated infrared spectral measurements is examined. Three specific examples of methods of solution are given: the iterative minimum estimation method, a second linear iterative method, and the algorithm of Chahine. Satellite data are used in an empirical comparison of the methods. Several factors are considered, including the stability of solutions, convergence behavior of the iterative methods, and dependence of the solutions on the first guess, a factor that is particularly important in the treatment of data from other planets.

Conrath, B. J.↗
DOE OSTI2018

Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

Here, a one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Accumulated approximation: A new method for structural optimization by iterative improvement

A new method for the solution of non-linear mathematical programming problems in the field of structural optimization is presented. It is an iterative scheme which for each iteration refines the approximation of objective and constraint functions by accumulating the function values of previously visited design points. The method has proven to be competitive for a number of well-known examples of which one is presented here. Furthermore because of the accumulation strategy, the method produces convergence even when the sensitivity analysis is inaccurate.

Rasmussen, John↗
DOE OSTI2015

A singular finite element technique for calculating continuum damping of Alfvén eigenmodes

Damping due to continuum resonances can be calculated using dissipation-less ideal magnetohydrodynamics provided that the poles due to these resonances are properly treated. We describe a singular finite element technique for calculating the continuum damping of Alfvén waves. A Frobenius expansion is used to determine appropriate finite element basis functions on an inner region surrounding a pole due to the continuum resonance. The location of the pole due to the continuum resonance and mode frequency is calculated iteratively using a Galerkin method. This method is used to find the complex frequency and mode structure of a toroidicity-induced Alfvén eigenmode in a large aspect ratio circular tokamak and is shown to agree closely with a complex contour technique.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1996

Multigrid Methods for EHL Problems

In many bearings and contacts, forces are transmitted through thin continuous fluid films which separate two contacting elements. Objects in contact are normally subjected to friction and wear which can be reduced effectively by using lubricants. If the lubricant film is sufficiently thin to prevent the opposing solids from coming into contact and carries the entire load, then we have hydrodynamic lubrication, where the lubricant film is determined by the motion and geometry of the solids. However, for loaded contacts of low geometrical conformity, such as gears, rolling contact bearings and cams, this is not the case due to high pressures and this is referred to as Elasto-Hydrodynamic Lubrication (EHL) In EHL, elastic deformation of the contacting elements and the increase in fluid viscosity with pressure are very significant and cannot be ignored. Since the deformation results in changing the geometry of the lubricating film, which in turn determines the pressure distribution, an EHL mathematical model must simultaneously satisfy the complex elasticity (integral) and the Reynolds lubrication (differential) equations. The nonlinear and coupled nature of the two equations makes numerical calculations computationally intensive. This is especially true for highly loaded problems found in practice. One novel feature of these problems is that the solution may exhibit sharp pressure spikes in the outlet region. To this date both finite element and finite difference methods have been used to solve EHL problems with perhaps greater emphasis on the use of the finite difference approach. In both cases, a major computational difficulty is ensuring convergence of the nonlinear equations solver to a steady state solution. Two successful methods for achieving this are direct iteration and multigrid methods. Direct iteration methods (e.g Gauss Seidel) have long been used in conjunction with finite difference discretizations on regular meshes. Perhaps one of the best examples of the application of such methods is the recent Effective Influence Method of Dowson and Wang. Multigrid methods have also been used with great success by Venner and Venner and Lubrecht with a good summary being given by Venner. As both these finite difference discretization based approaches appear to provide an efficient way of solving EHL problems, it is important to understand their relative merits. This paper is a first attempt at providing such an understanding in the context of EHL point contact problem, (contact of two spheres), in which the contact zone is a point and an ellipse or circle for unloaded and loaded dry contacts respectively. Since the film thickness and the contact width are generally small compared to the local radius of curvature of the two surfaces, the reduced geometry of the surfaces in the contact area can be accurately approximated to the contact between a paraboloid and a flat surface. The layout of the remainder of this paper is as follows. In section 2 we introduce the form of the equations to be solved. The Effective Influence Newton Method is described in Section 3 while Section 4 describes the Multigrid method to be used. Sections 5 and 6 describe the test problems to be used in the comparison between the two methods and compare the performance of the two methods. Section 7 concludes the paper with an argument of the two methods and suggests some future research directions.

Nurgat, Elyas↗
DOE OSTI2017

Rapid sampling of stochastic displacements in Brownian dynamics simulations

Here, we present a new method for sampling stochastic displacements in Brownian Dynamics (BD) simulations of colloidal scale particles. The method relies on a new formulation for Ewald summation of the Rotne-Prager-Yamakawa (RPY) tensor, which guarantees that the real-space and wave-space contributions to the tensor are independently symmetric and positive-definite for all possible particle configurations. Brownian displacements are drawn from a superposition of two independent samples: a wave-space (far-field or long-ranged) contribution, computed using techniques from fluctuating hydrodynamics and non-uniform fast Fourier transforms; and a real-space (near-field or short-ranged) correction, computed using a Krylov subspace method. The combined computational complexity of drawing these two independent samples scales linearly with the number of particles. The proposed method circumvents the super-linear scaling exhibited by all known iterative sampling methods applied directly to the RPY tensor that results from the power law growth of the condition number of tensor with the number of particles. For geometrically dense microstructures (fractal dimension equal three), the performance is independent of volume fraction, while for tenuous microstructures (fractal dimension less than three), such as gels and polymer solutions, the performance improves with decreasing volume fraction. This is in stark contrast with other related linear-scaling methods such as the force coupling method and the fluctuating immersed boundary method, for which performance degrades with decreasing volume fraction. Calculations for hard sphere dispersions and colloidal gels are illustrated and used to explore the role of microstructure on performance of the algorithm. In practice, the logarithmic part of the predicted scaling is not observed and the algorithm scales linearly for up to 4×10 6 particles, obtaining speed ups of over an order of magnitude over existing iterative methods, and making the cost of computing Brownian displacements comparable to the cost of computing deterministic displacements in BD simulations. Finally, a high-performance implementation employing non-uniform fast Fourier transforms implemented on graphics processing units and integrated with the software package HOOMD-blue is used for benchmarking.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

AutoPhaseNN: unsupervised physics-aware deep learning of 3D nanoscale Bragg coherent diffraction imaging

Abstract The problem of phase retrieval underlies various imaging methods from astronomy to nanoscale imaging. Traditional phase retrieval methods are iterative and are therefore computationally expensive. Deep learning (DL) models have been developed to either provide learned priors or completely replace phase retrieval. However, such models require vast amounts of labeled data, which can only be obtained through simulation or performing computationally prohibitive phase retrieval on experimental datasets. Using 3D X-ray Bragg coherent diffraction imaging (BCDI) as a representative technique, we demonstrate AutoPhaseNN, a DL-based approach which learns to solve the phase problem without labeled data. By incorporating the imaging physics into the DL model during training, AutoPhaseNN learns to invert 3D BCDI data in a single shot without ever being shown real space images. Once trained, AutoPhaseNN can be effectively used in the 3D BCDI data inversion about 100× faster than iterative phase retrieval methods while providing comparable image quality.

36 MATERIALS SCIENCE↗
DOE OSTI2017

CMB anisotropies at all orders: the non-linear Sachs-Wolfe formula

We obtain the non-linear generalization of the Sachs-Wolfe + integrated Sachs-Wolfe (ISW) formula describing the CMB temperature anisotropies. Our formula is valid at all orders in perturbation theory, is also valid in all gauges and includes scalar, vector and tensor modes. A direct consequence of our results is that the maps of the logarithmic temperature anisotropies are much cleaner than the usual CMB maps, because they automatically remove many secondary anisotropies. This can for instance, facilitate the search for primordial non-Gaussianity in future works. It also disentangles the non-linear ISW from other effects. Finally, we provide a method which can iteratively be used to obtain the lensing solution at the desired order.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Big-Data Multi-Energy Iterative Volumetric Reconstruction Methods for As-Built Validation & Verification Applications

This document archives the results developed by the Lab Directed Research and Development (LDRD) project sponsored by Sandia National Laboratories (SNL). In this work, it is shown that SNL has developed the first known high-energy hyperspectral computed tomography system for industrial and security applications. The main results gained from this work include dramatic beam-hardening artifact reduction by using the hyperspectral reconstruction as a bandpass filter without the need for any other computation or pre-processing; additionally, this work demonstrated the ability to use supervised and unsupervised learning methods on the hyperspectral reconstruction data for the application of materials characterization and identification which is not possible using traditional computed tomography systems or approaches.

47 OTHER INSTRUMENTATION↗
NASA NTRS1982

Computer tomography of flows external to test models

Computer tomographic techniques for reconstruction of three-dimensional aerodynamic density fields, from interferograms recorded from several different viewing directions were studied. Emphasis is on the case in which an opaque object such as a test model in a wind tunnel obscures significant regions of the interferograms (projection data). A method called the Iterative Convolution Method (ICM), existing methods in which the field is represented by a series expansions, and analysis of real experimental data in the form of aerodynamic interferograms are discussed.

Prikryl, I.↗
DOE OSTI2015

Method and apparatus for iterative lysis and extraction of algae

A method and system for processing algae involves the use of an ionic liquid-containing clarified cell lysate to lyse algae cells. The resulting crude cell lysate may be clarified and subsequently used to lyse algae cells. The process may be repeated a number of times before a clarified lysate is separated into lipid and aqueous phases for further processing and/or purification of desired products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Vibrational energy levels of the simplest Criegee intermediate (CH{sub 2}OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations

Accurate vibrational energy levels of the simplest Criegee intermediate (CH{sub 2}OO) were determined on a recently developed ab initio based nine-dimensional potential energy surface using three quantum mechanical methods. The first is the iterative Lanczos method using a conventional basis expansion with an exact Hamiltonian. The second and more efficient method is the multi-configurational time-dependent Hartree (MCTDH) method in which the potential energy surface is refit to conform to the sums-of-products requirement of MCTDH. Finally, the energy levels were computed with a vibrational self-consistent field/virtual configuration interaction method in MULTIMODE. The low-lying levels obtained from the three methods are found to be within a few wave numbers of each other, although some larger discrepancies exist at higher levels. The calculated vibrational levels are very well represented by an anharmonic effective Hamiltonian.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗