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At least 253 records · Page 14

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DOE OSTI2014

WE-G-18A-03: Cone Artifacts Correction in Iterative Cone Beam CT Reconstruction

Purpose: For iterative reconstruction (IR) in cone-beam CT (CBCT) imaging, data truncation along the superior-inferior (SI) direction causes severe cone artifacts in the reconstructed CBCT volume images. Not only does it reduce the effective SI coverage of the reconstructed volume, it also hinders the IR algorithm convergence. This is particular a problem for regularization based IR, where smoothing type regularization operations tend to propagate the artifacts to a large area. It is our purpose to develop a practical cone artifacts correction solution. Methods: We found it is the missing data residing in the truncated cone area that leads to inconsistency between the calculated forward projections and measured projections. We overcome this problem by using FDK type reconstruction to estimate the missing data and design weighting factors to compensate the inconsistency caused by the missing data. We validate the proposed methods in our multi-GPU low-dose CBCT reconstruction system on multiple patients' datasets. Results: Compared to the FDK reconstruction with full datasets, while IR is able to reconstruct CBCT images using a subset of projection data, the severe cone artifacts degrade overall image quality. For head-neck case under a full-fan mode, 13 out of 80 slices are contaminated. It is even more severe in pelvis case under half-fan mode, where 36 out of 80 slices are affected, leading to inferior soft-tissue delineation. By applying the proposed method, the cone artifacts are effectively corrected, with a mean intensity difference decreased from ∼497 HU to ∼39HU for those contaminated slices. Conclusion: A practical and effective solution for cone artifacts correction is proposed and validated in CBCT IR algorithm. This study is supported in part by NIH (1R01CA154747-01)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Accelerated Deterministic Phonon Transport With Consistent Material Temperature and Intensities

Abstract We present a method for deterministically solving the frequency and temperature dependent phonon radiative transport (PRT) equation in the single-mode relaxation time (SMRT) approximation in the self-adjoint angular flux (SAAF) form. To handle the nonlinear coupling between the phonon intensities and the material temperature, we apply a linearization approach that is similar to one in thermal radiative transport. This procedure leads to the PRT equation with pseudo-scattering. The method presented includes acceleration of both the inner pseudo-scattering source iterations and outer temperature iteration with a gray diffusion synthetic acceleration (DSA) and Anderson acceleration, respectively. We use the finite-element method to discretize the PRT equation in space and the method of discrete ordinates (SN) for angular discretization. The proposed method is verified by a gray method of manufactured solutions problem and demonstrated on a problem using temperature and direction dependent multigroup data from lithium aluminate (LiAlO2). The iterative performance of the acceleration method in each test is then compared to the unaccelerated method.

Engineering↗

DOE OSTI2012

Fourier domain closed-form formulas for estimation of kinetic parameters in reversible multi-compartment models

Background: Compared with static imaging, dynamic emission computed tomographic imaging with compartment modeling can quantify in vivo physiologic processes, providing useful information about molecular disease processes. Dynamic imaging involves estimation of kinetic rate parameters. For multi-compartment models, kinetic parameter estimation can be computationally demanding and problematic with local minima. Methods: This paper offers a new perspective to the compartment model fitting problem where Fourier linear system theory is applied to derive closed-form formulas for estimating kinetic parameters for the two-compartment model. The proposed Fourier domain estimation method provides a unique solution, and offers very different noise response as compared to traditional non-linear chi-squared minimization techniques. Results: The unique feature of the proposed Fourier domain method is that only low frequency components are used for kinetic parameter estimation, where the DC (i.e., the zero frequency) component in the data is treated as the most important information, and high frequency components that tend to be corrupted by statistical noise are discarded. Computer simulations show that the proposed method is robust without having to specify the initial condition. The resultant solution can be fine tuned using the traditional iterative method. Conclusions: The proposed Fourier-domain estimation method has closed-form formulas. The proposed Fourier-domain curve-fitting method does not require an initial condition, it minimizes a quadratic objective function and a closed-form solution can be obtained. The noise is easier to control, simply by discarding the high frequency components, and emphasizing the DC component.

Nuclear medicine imaging↗

DOE OSTI2016

A linear, separable two-parameter model for dual energy CT imaging of proton stopping power computation

Purpose: To evaluate the accuracy and robustness of a simple, linear, separable, two-parameter model (basis vector model, BVM) in mapping proton stopping powers via dual energy computed tomography (DECT) imaging. Methods: The BVM assumes that photon cross sections (attenuation coefficients) of unknown materials are linear combinations of the corresponding radiological quantities of dissimilar basis substances (i.e., polystyrene, CaCl{sub 2} aqueous solution, and water). The authors have extended this approach to the estimation of electron density and mean excitation energy, which are required parameters for computing proton stopping powers via the Bethe–Bloch equation. The authors compared the stopping power estimation accuracy of the BVM with that of a nonlinear, nonseparable photon cross section Torikoshi parametric fit model (VCU tPFM) as implemented by the authors and by Yang et al. [“Theoretical variance analysis of single- and dual-energy computed tomography methods for calculating proton stopping power ratios of biological tissues,” Phys. Med. Biol. 55, 1343–1362 (2010)]. Using an idealized monoenergetic DECT imaging model, proton ranges estimated by the BVM, VCU tPFM, and Yang tPFM were compared to International Commission on Radiation Units and Measurements (ICRU) published reference values. The robustness of the stopping power prediction accuracy of tissue composition variations was assessed for both of the BVM and VCU tPFM. The sensitivity of accuracy to CT image uncertainty was also evaluated. Results: Based on the authors’ idealized, error-free DECT imaging model, the root-mean-square error of BVM proton stopping power estimation for 175 MeV protons relative to ICRU reference values for 34 ICRU standard tissues is 0.20%, compared to 0.23% and 0.68% for the Yang and VCU tPFM models, respectively. The range estimation errors were less than 1 mm for the BVM and Yang tPFM models, respectively. The BVM estimation accuracy is not dependent on tissue type and proton energy range. The BVM is slightly more vulnerable to CT image intensity uncertainties than the tPFM models. Both the BVM and tPFM prediction accuracies were robust to uncertainties of tissue composition and independent of the choice of reference values. This reported accuracy does not include the impacts of I-value uncertainties and imaging artifacts and may not be achievable on current clinical CT scanners. Conclusions: The proton stopping power estimation accuracy of the proposed linear, separable BVM model is comparable to or better than that of the nonseparable tPFM models proposed by other groups. In contrast to the tPFM, the BVM does not require an iterative solving for effective atomic number and electron density at every voxel; this improves the computational efficiency of DECT imaging when iterative, model-based image reconstruction algorithms are used to minimize noise and systematic imaging artifacts of CT images.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2020

A fast implicit solver for semiconductor models in one space dimension

Several different approaches are proposed for solving fully implicit discretizations of a simplified Boltzmann-Poisson system with a linear relaxation-type collision kernel. This system models the evolution of free electrons in semiconductor devices under a low-density assumption. At each implicit time step, the discretized system is formulated as a fixed-point problem, which can then be solved with a variety of methods. A key algorithmic component in all the approaches considered here is a recently developed sweeping algorithm for Vlasov-Poisson systems. A synthetic acceleration scheme has been implemented to accelerate the convergence of iterative solvers by using the solution to a drift-diffusion equation as a preconditioner. The performance of four iterative solvers and their accelerated variants has been compared on problems modeling semiconductor devices with various electron mean-free-path.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Polarized fusion, its Implications and plans for Direct Measurements in a Tokamak

Our energy-hungry world is burning. A long-term solution, possibly the only ultimate one, that is just approaching the horizon after decades of struggle, is fusion. Recent developments allow us to apply techniques from spin physics to advance the viability of this critical option. The cross section for the primary fusion fuel in a tokamak reactor, D+T /to sigma + n, would be increased by a factor of 1.5 if the fuels were spin polarized parallel to the local field. Simulations predict further non-linear power gains in large-scale machines such as ITER, due to increased alpha heating. These are significant enhancements that could lower the requirements needed to reach ignition and could be used to extend useful reactor life by compensating for neutron degradation of critical components. The potential realization of such benefits rests on the survival of spin polarization for periods comparable to the energy containment time. Interest in polarized fuel options had an initial peak of activity in the 1980s, where calculations predicted that polarizations could in fact survive a plasma environment. However, concerns were raised regarding the cumulative impacts of fuel recycling from the reactor walls. In addition, the technical challenges of preparing and handling polarized materials prevented any direct tests. Over the last several decades, this situation has changed dramatically. Detailed simulations of the ITER plasma have projected negligible wall recycling in a high power reactor. In addition, a combination of advances in three areas - polarized material technologies developed for nuclear and particle physics as well as for medical imaging, polymer pellets developed for Inertial Con nement, and cryogenic injection guns developed for delivering fuel into the core of tokamaks - have matured to the point where a direct in situ measurement is possible. A Jefferson Lab - DIII-D/General Atomics - University of Virginia collaboration is developing designs for a proof-of-principle polarization survival experiment using the isospin mirror reaction, D +3 He /to sigma + p, at the DIII-D tokamak in San Diego.

Sandorfi, Andrew↗

DOE OSTI2019

Transmission Constraint Filtering in Large-Scale Security-Constrained Unit Commitment

When solving the security-constrained unit commitment problem, one of the most complicating factors is handling the large number of transmission constraints, corresponding to both base case and N - 1 line contingency scenarios. Although it is well known that only a few of these constraints need to be enforced, identifying this critical subset of constraints efficiently remains a challenge. In this letter, we propose a novel and simple iterative contingency-screening procedure that is able to eliminate 99.4% of the constraints selected by existing iterative methods, allowing for the solution of much larger-scale problems. We report computational results in realistic instances with up to 6468 buses and 9000 transmission lines. Furthermore, the method was also independently implemented and evaluated at MISO, where it performed faster than alternative methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Scalable Multiphysics Block Preconditioning for Low Mach Number Compressible Resistive MHD with Application to Magnetic Confinement Fusion

This study investigates multiphysics block preconditioners that are critical in devising scalable Newton–Krylov iterative solvers for longer time-scale fully implicit fluid plasma models. The specific model of interest is the visco-resistive, low Mach number, compressible magnetohydrodynamics (MHD) model. This model describes the dynamics of conducting fluids in the presence of electromagnetic fields and can be used to study aspects of astrophysical phenomena, important science and technology applications, and basic plasma physics. The specific application of interest that motivates this study is the macroscopic simulation of longer time-scale stability and disruptions of magnetic confinement fusion devices, specifically the ITER Tokamak. The computational solution of the governing balance equations for mass, momentum, heat transfer, and magnetic induction for resistive MHD systems can be extremely challenging. These difficulties arise from both the strong nonlinear, nonsymmetric coupling of fluid and electromagnetic phenomena as well as the significant range of time and length scales that the interactions of these physical mechanisms produce. To handle the range of time and spatial scales of interest, a fully implicit unstructured variational multiscale finite element formulation is employed. For the scalable solution of the Newton linearized systems, fully coupled block preconditioners are designed to leverage algebraic multigrid subsolves. In conclusion, results are presented for the strong and weak scaling of the method as well as the robustness of these techniques for a large range of Lundquist numbers.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

HFEM3D

Software solves the three-dimensional Poisson equation div(k(grad(u)) = f, by the finite element method for the case when material properties, k, are distributed over hierarchy of edges, facets and tetrahedra in the finite element mesh. Method is described in Weiss, CJ, Finite element analysis for model parameters distributed on a hierarchy of geometric simplices, Geophysics, v82, E155-167, doi:10.1190/GEO2017-0058.1 (2017). A standard finite element method for solving Poisson’s equation is augmented by including in the 3D stiffness matrix additional 2D and 1D stiffness matrices representing the contributions from material properties associated with mesh faces and edges, respectively. The resulting linear system is solved iteratively using the conjugate gradient method with Jacobi preconditioning. To minimize computer storage for program execution, the linear solver computes matrix-vector contractions element-by-element over the mesh, without explicit storage of the global stiffness matrix. Program output vtk compliant for visualization and rendering by 3rd party software. Program uses dynamic memory allocation and as such there are no hard limits on problem size outside of those imposed by the operating system and configuration on which the software is run. Dimension, N, of the finite element solution vector is constrained by the the addressable space in 32-vs-64 bit operating systems. Total storage requirements for the problem. Total working space required for the program is approximately 13*N double precision words.

Weiss, Chester J↗

DOE OSTI2024

Endogenizing Probabilistic Resource Adequacy Risks in Deterministic Capacity Expansion Models

In this work, we demonstrate how power system capacity expansion models can understate the stochastic effects of thermal outages when considering resource availabilities on an hourly expected value basis, yielding system designs with multiple orders of magnitude more shortfall risk than stated adequacy targets. We develop a novel approximation approach to efficiently endogenize awareness of this risk in a deterministic, linear capacity expansion framework. We compare this approach to exogenous tuning of an energy reserve margin, the leading alternative method to compensate for unmodeled probabilistic shortfall risk. Empirical results from a test system show that the new endogenous method cost-effectively meets all regional reliability targets with a single optimization solve, and produces a near-identical system design as the incumbent method without the need for repeated re-optimizations to find an appropriate reserve level. The endogenous method may also use iterative re-optimizations to further improve solution quality, although these incremental benefits were modest in the system studied.

capacity expansion modeling↗

DOE OSTI2013

Xyce(™) Parallel Electronic Simulator

The Xyce Parallel Electronic Simulator simulates electronic circuit behavior in DC, AC, HB, MPDE and transient mode using standard analog (DAE) and/or device (PDE) device models including several age and radiation aware devices. It supports a variety of computing platforms (both serial and parallel) computers. Lastly, it uses a variety of modern solution algorithms dynamic parallel load-balancing and iterative solvers.! ! Xyce is primarily used to simulate the voltage and current behavior of a circuit network (a network of electronic devices connected via a conductive network). As a tool, it is mainly used for the design and analysis of electronic circuits.! ! Kirchoff's conservation laws are enforced over a network using modified nodal analysis. This results in a set of differential algebraic equations (DAEs). The resulting nonlinear problem is solved iteratively using a fully coupled Newton method, which in turn results in a linear system that is solved by either a standard sparse-direct solver or iteratively using Trilinos linear solver packages, also developed at Sandia National Laboratories.

Source record↗

DOE OSTI2022

Xyce(™) Parallel Electronic Simulator v.7.5

Source record↗

DOE OSTI2013

Xyce(™) Parallel Electronic Simulator v.7.6

Keiter, Eric↗

DOE OSTI2017

Large scale Brownian dynamics of confined suspensions of rigid particles

We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217–296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its “square” root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose height above the wall is set by a combination of thermal noise and active flows. We find the existence of two populations of active particles, slower ones closer to the bottom and faster ones above them, and demonstrate that our method provides quantitative accuracy even with relatively coarse resolutions of the particle geometry.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Algorithm for solving the linear Cauchy problem for large systems of ordinary differential equations with the use of parallel computations

An algorithm for solving the linear Cauchy problem for large systems of ordinary differential equations is presented. The algorithm for systems of first-order differential equations is implemented in the EDELWEISS code with the possibility of parallel computations on supercomputers employing the MPI (Message Passing Interface) standard for the data exchange between parallel processes. The solution is represented by a series of orthogonal polynomials on the interval [0, 1]. The algorithm is characterized by simplicity and the possibility to solve nonlinear problems with a correction of the operator in accordance with the solution obtained in the previous iterative process.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

High-resolution (30-m) urban land cover projections for Los Angeles California Urban Area: 2010 to 2100 under SSP5

These data represent simulations of future land use and land cover (LULCC) for Los Angeles urban area (U.S. Census Bureau defined area) as raster tiff images at a 30-m pixel resolution and at decadal time steps from 2010 to 2100. LULCC classes in this product follow the National Land Cover Dataset (NLCD) classification. NLCD 21-24 correspond to open developed, low developed, medium developed, and high developed urban land classes, respectively. Only urban land cover classes (NLCD class 21, 22, 23, and 24) are dynamic over time; however, all NLCD classes are included in the final product. Therefore, NLCD classes that do not convert to an urban class will be similar to year 2000. The products were developed using a hybridized statistical and cellular automata approach. Linear mixed models (LMMs) were used to estimate future urban land budgets based on 1-km urban land fraction projections from Gao and Pesaresi (2021), whereas separate generalized linear mixed models (GLMMs) were used to estimate shifts in urban land intensities based on retrospective shifts in NLCD urban class intensities over a 20- year period. Based on urban land allocations from the statistical models, a cellular-automata and downscaling routine was used to simulate dynamic urban land expansion at a 30-m resolution based on suitability criteria. Scenarios of future urban landcover change projections include variant solutions for the Shared Socioeconomic Pathway 5 (SSP5) based on different population assumptions, different land use intensification assumptions, variable land zoning constraints, and iterative adjustments to correct for over allocation of urban expansion across decadal time periods from 2010 to 2100. This results in 320 raster products.

Land↗

DOE OSTI2022

Deconvolving the roles of E × B shear and pedestal structure in the energy confinement quality of super H-mode experiements

Analysis of “super H-mode” experiments on DIII-D has put forward that high plasma toroidal rotation, not high pedestal, plays the essential role in achieving energy confinement quality H 98y2 >>1. Recently, super H-mode experiments with variable input torque have confirmed that high rotation shear discharges have very high levels of H 98y2 (>1.5), independent of the pedestal height, and that high pedestal discharges with low rotation shear have levels of H 98y2 only slightly above 1 (≤1.2). Although some increase in stored energy with higher pedestal occurs, the energy confinement quality mainly depends on the toroidal rotation shear, which varies according to different levels of injected neutral beam torque per particle. Here, quasi-linear gyrofluid modeling achieves a good match of the experiment when including the E×B shear; without including plasma rotation, the modeling predicts a confinement quality consistent with the empirical observation of H 98y2 ~1.2 at low rotation. Nonlinear gyrokinetic transport modeling shows that the effect of E×B turbulence stabilization is far larger than other mechanisms, such as the so-called hot-ion stabilization (T i /T e ) effect. Consistent with these experimental and modeling results are previous simulations of the ITER Baseline Scenario using a super H-mode pedestal solution, which showed the potential to exceed the Q=10 target if the pedestal density could be increased above the Greenwald limit. A close look at these simulations reveals that the predicted energy confinement quality is below 1 even at the highest pedestal pressure. The improvement in Q at higher pedestal density is due to the improved fusion power generation at the higher core density associated with higher pedestal density, not to an improved energy confinement quality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

AMPS: An Augmented Matrix Formulation for Principal Submatrix Updates with Application to Power Grids

We present an augmented matrix approach to update the solution to a linear system of equations when the coefficient matrix is modified by a few elements within a principal submatrix. This problem arises in the dynamic security analysis of a power grid, where operators need to perform $N-x$ contingency analysis, i.e., determine the state of the system when up to $x$ links from $N$ fail. Our algorithms augment the coefficient matrix to account for the changes in it, and then compute the solution to the augmented system without refactoring the modified matrix. We provide two algorithms, a direct method, and a hybrid direct-iterative method for solving the augmented system. We also exploit the sparsity of the matrices and vectors to accelerate the overall computation. Our algorithms are compared on three power grids with PARDISO, a parallel direct solver, and CHOLMOD, a direct solver with the ability to modify the Cholesky factors of the coefficient matrix. We show that our augmented algorithms outperform PARDISO (by two orders of magnitude), and CHOLMOD (by a factor of up to 5). Further, our algorithms scale better than CHOLMOD as the number of elements updated increases. The solutions are computed with high accuracy. Our algorithms are capable of computing $N-x$ contingency analysis on a $778K$ bus grid, updating a solution with $x=20$ elements in $1.6 \times 10^{-2}$ seconds on an Intel Xeon processor.

Yeung, Yu-Hong↗