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DOE OSTI2026

Two-Level Sketching Alternating Anderson Acceleration for Complex Physics Applications

We present a novel two-level sketching extension of the Alternating Anderson–Picard (AAP) method for accelerating fixed-point iterations in challenging single- and multiphysics simulations governed by discretized PDEs. Our approach combines a static, physics-based projection that reduces the least-squares (LS) problem to the most informative field (e.g., via Schur-complement insight) with a dynamic, algebraic sketching stage driven by a backward stability analysis under Lipschitz continuity. We introduce inexpensive estimators for stability thresholds and cache-aware randomized selection strategies to balance computational cost against memory access overhead. The resulting algorithm solves reduced LS systems in place, minimizes memory footprints, and seamlessly alternates between low-cost Picard updates and Anderson mixing. Implemented in Julia, our two-level sketching AAP achieves up to 50% time-to-solution reductions compared to standard Anderson acceleration—without degrading convergence rates—on benchmark problems including Stokes, 𝑝-Laplacian, bidomain, and Navier–Stokes formulations at varying problem sizes. These results demonstrate the method’s robustness, scalability, and potential for integration into high-performance scientific computing frameworks. Our implementation is available open source in the AAP.jl library.

Barnafi, Nicolas [University of Chile, Santiago]↗

DOE OSTI2014

SU-E-J-01: 3D Fluoroscopic Image Estimation From Patient-Specific 4DCBCT-Based Motion Models

Purpose: 3D motion modeling derived from 4DCT images, taken days or weeks before treatment, cannot reliably represent patient anatomy on the day of treatment. We develop a method to generate motion models based on 4DCBCT acquired at the time of treatment, and apply the model to estimate 3D time-varying images (referred to as 3D fluoroscopic images). Methods: Motion models are derived through deformable registration between each 4DCBCT phase, and principal component analysis (PCA) on the resulting displacement vector fields. 3D fluoroscopic images are estimated based on cone-beam projections simulating kV treatment imaging. PCA coefficients are optimized iteratively through comparison of these cone-beam projections and projections estimated based on the motion model. Digital phantoms reproducing ten patient motion trajectories, and a physical phantom with regular and irregular motion derived from measured patient trajectories, are used to evaluate the method in terms of tumor localization, and the global voxel intensity difference compared to ground truth. Results: Experiments included: 1) assuming no anatomic or positioning changes between 4DCT and treatment time; and 2) simulating positioning and tumor baseline shifts at the time of treatment compared to 4DCT acquisition. 4DCBCT were reconstructed from the anatomy as seen at treatment time. In case 1) the tumor localization error and the intensity differences in ten patient were smaller using 4DCT-based motion model, possible due to superior image quality. In case 2) the tumor localization error and intensity differences were 2.85 and 0.15 respectively, using 4DCT-based motion models, and 1.17 and 0.10 using 4DCBCT-based models. 4DCBCT performed better due to its ability to reproduce daily anatomical changes. Conclusion: The study showed an advantage of 4DCBCT-based motion models in the context of 3D fluoroscopic images estimation. Positioning and tumor baseline shift uncertainties were mitigated by the 4DCBCT-based motion models, while they caused errors when using 4DCT-based motion models. Partially funded by Varian research grant.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Calibration of coronary calcium scores determined using iterative image reconstruction (AIDR 3D) at 120, 100, and 80 kVp

Purpose: Computed tomography (CT) radiation dose reduction is frequently achieved by applying lower tube voltages and using iterative reconstruction (IR). For calcium scoring, the reference protocol at 120 kVp with filtered back projection (FBP) is still used, because kVp and IR may influence the Agatston score (AS) and volume score (VS). The authors present a two-step method to optimize dose: first, to determine the lowest feasible exposure and highest noise thresholds; second, to define a calibration method that ensures that the AS and VS are similar to the reference protocol. Methods: AS and VS were measured for an anthropomorphic thoracic phantom that includes a calcium calibration module. The phantom was scanned on a 320-row CT scanner, at tube voltages of 120 kVp using FBP, and 120, 100, and 80 kVp using adaptive iterative dose reduction (AIDR 3D) reconstruction. The minimum CTDIs were determined based on three objective quality criteria. Calibration was performed to estimate adjusted CT number thresholds for the lower kVp acquisitions. Finally, the accuracies of the total and individual insert scores at dose level close to the minimum CTDI level were investigated and compared to low (FBP{sub LD} − 120) and high (FBP{sub HD} − 120) dose reference protocols (based on ten repeated acquisitions for each group). Results: IR allows the exposure to be reduced by 69% at 120 kVp, with no significant effect on the total scores when averaged over all included dose steps and compared to FBP-120 (AS: 693 vs 699, p = 0.182; VS: 588 vs 587 mm{sup 3}, p = 0.569). Also when averaged over ten repeated scans and compared to FBP{sub HD} − 120 (AS: 709 vs 704, p = 0.435; VS: 604 vs 601 mm{sup 3}, p = 0.479), there is no statistical significant effect. Reducing the peak tube voltage allows even greater dose reductions: 73% at 100 kVp and 76% at 80 kVp. The calibrated CT number thresholds for analysis at 120, 100, and 80 kVp were, respectively, 130, 133, and 160 HU for the Agatston score, and 130, 132, and 140 HU for the volume score. Following the calibration, the mean scores of the four groups with dose variation were not significantly different from the reference protocol, at 100 kVp (AS: 698 vs 699, p = 0.818; VS: 584 vs 587 mm{sup 3}, p = 0.365) or at 80 kVp (AS: 698 vs 699, p = 0.996; VS: 586 vs 587 mm{sup 3}, p = 0.827). Similarly, there was no significant score difference with FBP{sub LD} − 120 during repeated scanning: 100 kVp (AS: 690 vs 694, p = 0.394; VS: 579 vs 585 mm{sup 3}, p = 0.168) and 80 kVp (AS: 703 vs 694, p = 0.115; VS: 588 vs 585 mm{sup 3}, p = 0.613). Compared to FBP{sub HD} − 120 group, the relative score deviation for the accuracy of the 400 and 800 mg/cm{sup 3} HA inserts with 3 and 5 mm diameter is less than 7%. However, the relative deviation of the smaller 1 mm inserts is poorer (up to 41% deviations for scores <3). Conclusions: With iterative reconstruction using AIDR 3D, deviations of the total Agatston and volume scores remain within 4% of the reference protocol. The 1 mm inserts were detected as calcification, but scores less than ten tend to be underestimated. Following the calibration process, the application of IR in combination with reduced tube voltages allows up to 76% lower radiation dose.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

An immersed boundary method for fluid–structure interaction with compressible multiphase flows

This paper presents a two-dimensional immersed boundary method for fluid–structure interaction with compressible multiphase flows involving large structure deformations. This method involves three important parts: flow solver, structure solver and fluid–structure interaction coupling. In the flow solver, the compressible multiphase Navier–Stokes equations for ideal gases are solved by a finite difference method based on a staggered Cartesian mesh, where a fifth-order accuracy Weighted Essentially Non-Oscillation (WENO) scheme is used to handle spatial discretization of the convective term, a fourth-order central difference scheme is employed to discretize the viscous term, the third-order TVD Runge–Kutta scheme is used to discretize the temporal term, and the level-set method is adopted to capture the multi-material interface. In this work, the structure considered is a geometrically non-linear beam which is solved by using a finite element method based on the absolute nodal coordinate formulation (ANCF). The fluid dynamics and the structure motion are coupled in a partitioned iterative manner with a feedback penalty immersed boundary method where the flow dynamics is defined on a fixed Lagrangian grid and the structure dynamics is described on a global coordinate. We perform several validation cases (including fluid over a cylinder, structure dynamics, flow induced vibration of a flexible plate, deformation of a flexible panel induced by shock waves in a shock tube, an inclined flexible plate in a hypersonic flow, and shock-induced collapse of a cylindrical helium cavity in the air), and compare the results with experimental and other numerical data. The present results agree well with the published data and the current experiment. Finally, we further demonstrate the versatility of the present method by applying it to a flexible plate interacting with multiphase flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Accurate and efficient description of interacting carriers in quantum nanostructures by selected configuration interaction and perturbation theory

In this paper, we present a method to accurately and efficiently calculate many-body states of interacting carriers in quantum nanostructures based on a combination of iterative selection of configurations and perturbation theory. This method enables investigations of large excitonic complexes and multielectron systems with near full configuration interaction accuracy, even though only a small subspace of the full many-body Hilbert space is sampled, thus saving orders of magnitudes in computational resources. Important advantages of this method are that the convergence is controlled by a single parameter, the threshold, and that ground and excited states can be treated on an equal footing. On the example of InAsP nanowire quantum dots described using a million-atom tight-binding approach, we demonstrate the extreme efficiency of the method by numerical studies of large excitonic complexes filling up to the fourth electronic shell. We find that the method generally converges fast as a function of the threshold, profiting from a significant acceleration due to the perturbative corrections. The role of the choice of single-particle basis states is discussed. It is found that the algorithm converges faster in the Hartree-Fock basis only for highly charged systems, where Coulomb repulsion dominates. Finally, based on the observation that second-order perturbative energy corrections only depend on off-diagonal elements of the many-body Hamiltonian, we present a way to accurately calculate many-body states that requires only a relatively small number of Coulomb matrix elements.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Clinical Pathways: A Catalyst for the Adoption of Hypofractionation for Early-Stage Breast Cancer

Purpose: Hypofractionated whole-breast irradiation (HF-WBI) remains underutilized in the United States despite support by multiple clinical trials. We evaluated the success of iterative modifications of our breast cancer clinical pathway on the adoption of HF-WBI in a large, integrated radiation oncology network. Methods and Materials: The breast clinical pathway was modified in January 2011 (Amendment 1) to recommend HF-WBI as the first option for women ≥70 of age with stages 0 to IIA, while maintaining conventional fractionation (CF) as a pathway-concordant secondary option. In January 2013 (Amendment 2), the pathway's HF-WBI recommendation was extended to women ≥50 years of age. In January 2014 (Amendment 3), the pathway mandated HF-WBI as the only pathway-concordant option in women ≥50 years of age, and all pathway-discordant plans were subject to peer review and justification. Women ≥50 years of age with ductal carcinoma in situ or invasive breast cancer who underwent breast conserving surgery and adjuvant WBI were included in this analysis. Results: We identified 5112 patients from 2009 to 2014 who met inclusion criteria. From 2009 to 2012, the overall HF-WBI use rate was 8.3%. Following Amendments 2 and 3 (2013 and 2014, respectively), HF-WBI use significantly increased to 21.8% (17.3% in the community, 39.7% at academic sites) and 76.7% (75.5% in the community, 81.4% at academic sites), respectively (P<.001). Compared to 2009 to 2012, the relative risk of using HF-WBI was 7.9 (95% confidence interval: 7.1-8.6, P<.001) and 10.7 (95% CI: 10.3-11.0, P<.001), respectively, after Amendments 2 and 3, respectively. Age ≥70 and treatment at an academic site increased the likelihood of receiving HF-WBI in 2009 to 2012 and following Amendment 2 (P<.001). Conclusions: This study demonstrates the transformative effect of a clinical pathway on patterns of care for breast radiation therapy. Although our initial HF-WBI use rate was low (8%-22%) and consistent with national rates, the clinical pathway approach dramatically increased adoption rate to >75%. In contrast to passive guidelines, clinical pathways serve as active tools to promote current best practices.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2023

Evaluation of the critical behavior near ferromagnetic to paramagnetic phase transition in CrTe 1-x Se x alloys: An experimental study

For this study, we used the conventional solid-state reaction method to prepare stoichiometric samples of CrTe 1-x Se x , where 0 ≤ x ≤ 0.10, and investigated the structural and critical behavior of the prepared samples. Room temperature powder X-ray diffraction, along with Rietveld refinement, revealed the emergence of the NiAs structure with P6 3 /mmc (194) space group with increasing Se substitution. The high-temperature linear fit to inverse of the dc-susceptibility versus temperature for the mother sample resulted in an effective moment of 3.65μ B Cr with Curie-Weiss temperature near 335K, which is slightly higher than the Tc of ~332K obtained from the inflection point of magnetization versus temperature. Magnetization isotherms were employed to investigate the critical behavior of ferromagnetic CrTe 1-x Se x with 0.0 ≤ x ≤ 0.10 near their Curie temperatures (Tc). The magnetic behavior near Tc was found to follow 3D mean-field critical exponents with a second-order phase transition in all samples investigated. We fine-tuned the critical exponents (β, γ, and δ) using a combination of an iteration technique, the Kouvel-Fisher method, and modified Arrott plots. All samples follow a mean field behavior, with Tc ranging from 298 to 340K. The acquired values exhibit self-consistency, as indicated by the results from the Widom scaling relation. Furthermore, the magnetization isotherms exhibit a universal scaling behavior, providing additional credence to the calculated critical exponents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

WE-G-17A-01: Improving Tracking Image Spatial Resolution for Onboard MR Image Guided Radiation Therapy Using the WHISKEE Technique

Purpose: To evaluate the feasibility of using the weighted hybrid iterative spiral k-space encoded estimation (WHISKEE) technique to improve spatial resolution of tracking images for onboard MR image guided radiation therapy (MR-IGRT). Methods: MR tracking images of abdomen and pelvis had been acquired from healthy volunteers using the ViewRay onboard MRIGRT system (ViewRay Inc. Oakwood Village, OH) at a spatial resolution of 2.0mm*2.0mm*5.0mm. The tracking MR images were acquired using the TrueFISP sequence. The temporal resolution had to be traded off to 2 frames per second (FPS) to achieve the 2.0mm in-plane spatial resolution. All MR images were imported into the MATLAB software. K-space data were synthesized through the Fourier Transform of the MR images. A mask was created to selected k-space points that corresponded to the under-sampled spiral k-space trajectory with an acceleration (or undersampling) factor of 3. The mask was applied to the fully sampled k-space data to synthesize the undersampled k-space data. The WHISKEE method was applied to the synthesized undersampled k-space data to reconstructed tracking MR images at 6 FPS. As a comparison, the undersampled k-space data were also reconstructed using the zero-padding technique. The reconstructed images were compared to the original image. The relatively reconstruction error was evaluated using the percentage of the norm of the differential image over the norm of the original image. Results: Compared to the zero-padding technique, the WHISKEE method was able to reconstruct MR images with better image quality. It significantly reduced the relative reconstruction error from 39.5% to 3.1% for the pelvis image and from 41.5% to 4.6% for the abdomen image at an acceleration factor of 3. Conclusion: We demonstrated that it was possible to use the WHISKEE method to expedite MR image acquisition for onboard MR-IGRT systems to achieve good spatial and temporal resolutions simultaneously. Y. Hu and O. green receive travel reimbursement from ViewRay. S. Mutic has consulting and research agreements with ViewRay. Q. Zeng, R. Nana, J.L. Patrick, S. Shvartsman and J.F. Dempsey are ViewRay employees.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2011

GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

Graphics Processing Unit (GPU), originally developed for real-time, high-definition 3D graphics in computer games, now provides great faculty in solving scientific applications. The basis of particle transport simulation is the time-dependent, multi-group, inhomogeneous Boltzmann transport equation. The numerical solution to the Boltzmann equation involves the discrete ordinates (S{sub n}) method and the procedure of source iteration. In this paper, we present a GPU accelerated simulation of one energy group time-independent deterministic discrete ordinates particle transport in 3D Cartesian geometry (Sweep3D). The performance of the GPU simulations are reported with the simulations of vacuum boundary condition. The discussion of the relative advantages and disadvantages of the GPU implementation, the simulation on multi GPUs, the programming effort and code portability are also reported. The results show that the overall performance speedup of one NVIDIA Tesla M2050 GPU ranges from 2.56 compared with one Intel Xeon X5670 chip to 8.14 compared with one Intel Core Q6600 chip for no flux fixup. The simulation with flux fixup on one M2050 is 1.23 times faster than on one X5670.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Scalable subsurface inverse modeling of huge data sets with an application to tracer concentration breakthrough data from magnetic resonance imaging

When characterizing subsurface properties is crucial for reliable and cost-effective groundwater supply management and contaminant remediation. With recent advances in sensor technology, large volumes of hydro-geophysical and geochemical data can be obtained to achieve high-resolution images of subsurface properties. However, characterization with such a large amount of information requires prohibitive computational costs associated with “big data” processing and numerous large-scale numerical simulations. To tackle such difficulties, the Principal Component Geostatistical Approach (PCGA) has been proposed as a “Jacobian-free” inversion method that requires much smaller forward simulation runs for each iteration than the number of unknown parameters and measurements needed in the traditional inversion methods. PCGA can be conveniently linked to any multi-physics simulation software with independent parallel executions. In our paper, we extend PCGA to handle a large number of measurements (e.g. 106 or more) by constructing a fast preconditioner whose computational cost scales linearly with the data size. For illustration, we characterize the heterogeneous hydraulic conductivity (K) distribution in a laboratory-scale 3-D sand box using about 6 million transient tracer concentration measurements obtained using magnetic resonance imaging. Since each individual observation has little information on the K distribution, the data was compressed by the zero-th temporal moment of breakthrough curves, which is equivalent to the mean travel time under the experimental setting. Moreover, only about 2,000 forward simulations in total were required to obtain the best estimate with corresponding estimation uncertainty, and the estimated K field captured key patterns of the original packing design, showing the efficiency and effectiveness of the proposed method. This article is protected by copyright. All rights reserved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Data-driven acceleration of thermal radiation transfer calculations with the dynamic mode decomposition and a sequential singular value decomposition

In this work, we present a method for accelerating discrete ordinates radiative transfer calculations for radiative transfer. Our method works with nonlinear positivity fixes, in contrast to most acceleration schemes. The method is based on the dynamic mode decomposition (DMD) and using a sequence of rank-one updates to compute the singular value decomposition needed for DMD. Using a sequential method allows us to automatically determine the number of solution vectors to include in the DMD acceleration. We present results for slab geometry discrete ordinates calculations with the standard temperature linearization. Compared with positive source iteration, our results demonstrate that our acceleration method reduces the number of transport sweeps required to solve the problem by a factor of about 3 on a standard diffusive Marshak wave problem, a factor of several thousand on a cooling problem where the effective scattering ratio approaches unity, and a factor of 20 improvement in a realistic, multimaterial radiating shock problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Compressed-sensing-based content-driven hierarchical reconstruction: Theory and application to C-arm cone-beam tomography

Purpose: This paper addresses the reconstruction of x-ray cone-beam computed tomography (CBCT) for interventional C-arm systems. Subsampling of CBCT is a significant issue with C-arms due to their slow rotation and to the low frame rate of their flat panel x-ray detectors. The aim of this work is to propose a novel method able to handle the subsampling artifacts generally observed with analytical reconstruction, through a content-driven hierarchical reconstruction based on compressed sensing. Methods: The central idea is to proceed with a hierarchical method where the most salient features (high intensities or gradients) are reconstructed first to reduce the artifacts these features induce. These artifacts are addressed first because their presence contaminates less salient features. Several hierarchical schemes aiming at streak artifacts reduction are introduced for C-arm CBCT: the empirical orthogonal matching pursuit approach with the ℓ{sub 0} pseudonorm for reconstructing sparse vessels; a convex variant using homotopy with the ℓ{sub 1}-norm constraint of compressed sensing, for reconstructing sparse vessels over a nonsparse background; homotopy with total variation (TV); and a novel empirical extension to nonlinear diffusion (NLD). Such principles are implemented with penalized iterative filtered backprojection algorithms. For soft-tissue imaging, the authors compare the use of TV and NLD filters as sparsity constraints, both optimized with the alternating direction method of multipliers, using a threshold for TV and a nonlinear weighting for NLD. Results: The authors show on simulated data that their approach provides fast convergence to good approximations of the solution of the TV-constrained minimization problem introduced by the compressed sensing theory. Using C-arm CBCT clinical data, the authors show that both TV and NLD can deliver improved image quality by reducing streaks. Conclusions: A flexible compressed-sensing-based algorithmic approach is proposed that is able to accommodate for a wide range of constraints. It is successfully applied to C-arm CBCT images that may not be so well approximated by piecewise constant functions.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2011

An adaptive regularization parameter choice strategy for multispectral bioluminescence tomography

Purpose: Bioluminescence tomography (BLT) provides an effective tool for monitoring physiological and pathological activities in vivo. However, the measured data in bioluminescence imaging are corrupted by noise. Therefore, regularization methods are commonly used to find a regularized solution. Nevertheless, for the quality of the reconstructed bioluminescent source obtained by regularization methods, the choice of the regularization parameters is crucial. To date, the selection of regularization parameters remains challenging. With regards to the above problems, the authors proposed a BLT reconstruction algorithm with an adaptive parameter choice rule. Methods: The proposed reconstruction algorithm uses a diffusion equation for modeling the bioluminescent photon transport. The diffusion equation is solved with a finite element method. Computed tomography (CT) images provide anatomical information regarding the geometry of the small animal and its internal organs. To reduce the ill-posedness of BLT, spectral information and the optimal permissible source region are employed. Then, the relationship between the unknown source distribution and multiview and multispectral boundary measurements is established based on the finite element method and the optimal permissible source region. Since the measured data are noisy, the BLT reconstruction is formulated as l{sub 2} data fidelity and a general regularization term. When choosing the regularization parameters for BLT, an efficient model function approach is proposed, which does not require knowledge of the noise level. This approach only requests the computation of the residual and regularized solution norm. With this knowledge, we construct the model function to approximate the objective function, and the regularization parameter is updated iteratively. Results: First, the micro-CT based mouse phantom was used for simulation verification. Simulation experiments were used to illustrate why multispectral data were used rather than monochromatic data. Furthermore, the study conducted using an adaptive regularization parameter demonstrated our ability to accurately localize the bioluminescent source. With the adaptively estimated regularization parameter, the reconstructed center position of the source was (20.37, 31.05, 12.95) mm, and the distance to the real source was 0.63 mm. The results of the dual-source experiments further showed that our algorithm could localize the bioluminescent sources accurately. The authors then presented experimental evidence that the proposed algorithm exhibited its calculated efficiency over the heuristic method. The effectiveness of the new algorithm was also confirmed by comparing it with the L-curve method. Furthermore, various initial speculations regarding the regularization parameter were used to illustrate the convergence of our algorithm. Finally, in vivo mouse experiment further illustrates the effectiveness of the proposed algorithm. Conclusions: Utilizing numerical, physical phantom and in vivo examples, we demonstrated that the bioluminescent sources could be reconstructed accurately with automatic regularization parameters. The proposed algorithm exhibited superior performance than both the heuristic regularization parameter choice method and L-curve method based on the computational speed and localization error.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2012

GUIDING NONLINEAR FORCE-FREE MODELING USING CORONAL OBSERVATIONS: FIRST RESULTS USING A QUASI-GRAD-RUBIN SCHEME

At present, many models of the coronal magnetic field rely on photospheric vector magnetograms, but these data have been shown to be problematic as the sole boundary information for nonlinear force-free field extrapolations. Magnetic fields in the corona manifest themselves in high-energy images (X-rays and EUV) in the shapes of coronal loops, providing an additional constraint that is not at present used as constraints in the computational domain, directly influencing the evolution of the model. This is in part due to the mathematical complications of incorporating such input into numerical models. Projection effects, confusion due to overlapping loops (the coronal plasma is optically thin), and the limited number of usable loops further complicate the use of information from coronal images. We develop and test a new algorithm to use images of coronal loops in the modeling of the solar coronal magnetic field. We first fit projected field lines with those of constant-{alpha} force-free fields to approximate the three-dimensional distribution of currents in the corona along a sparse set of trajectories. We then apply a Grad-Rubin-like iterative technique, which uses these trajectories as volume constraints on the values of {alpha}, to obtain a volume-filling nonlinear force-free model of the magnetic field, modifying a code and method presented by Wheatland. We thoroughly test the technique on known analytical and solar-like model magnetic fields previously used for comparing different extrapolation techniques and compare the results with those obtained by currently available methods relying only on the photospheric data. We conclude that we have developed a functioning method of modeling the coronal magnetic field by combining the line-of-sight component of the photospheric magnetic field with information from coronal images. Whereas we focus on the use of coronal loop information in combination with line-of-sight magnetograms, the method is readily extended to incorporate vector-magnetic data over any part of the photospheric boundary.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Efficient and robust stability analysis in the internal energy, volume, and moles (UVN) space

Hydrodynamic simulation of fluids in vessels is often based on the internal energy (U), volume (V), and the number of moles of all components ( re N = N 1 , N 2 , ..., N n ) as the working variables to determine the thermodynamic state by finding the global maximum of entropy. The procedure of finding the equilibrium state may be divided into two steps: stability analysis and phase-split computations. Stability analysis is performed first, and the phase-split computation proceeds if the system is unstable. Most of the past work on UVN space has been based on phase-split computations, while the stability analysis is barely investigated. Furthermore, previous studies for the stability analysis use only Newton's method to solve the non-linear algebraic equations. We present an efficient and robust approach for stability analysis where UVN is specified. The successive substitution iteration (SSI) is used to provide good initial guesses for Newton's method. The proposed approach results in a reduced number of unknowns and does not require a large number of iterations to achieve convergence in Newton's method. Overall, our proposed formulation is compatible with different equations of state and is applicable to both pure component and multi-components. The robustness and efficiency of the algorithm for stability analysis are demonstrated in various examples.

02 PETROLEUM↗

DOE OSTI2017

Diffusion Synthetic Acceleration for High Order S{sub N} Transport on Meshes with Curved Surfaces

Thermal radiation transport is integral to multiphysics applications such as inertial confinement fusion and astrophysics. Materials in these problems can be exceptionally optically thick and diffusive. A transport solver must be capable of accurate and efficient solutions to such problems. Previously, Woods et al. established a proof-of-concept for high order (HO) discontinuous Galerkin finite element (DGFEM) transport on meshes with curved surfaces. They numerically demonstrated the spatial convergence is order p + 1. Remarkably, these convergence rates are relatively invariant to the amount of curvature of the spatial mesh. We present here an extension of this work that demonstrates a rapidly-convergent iterative solver for the FEM transport equations on meshes with curved sides. We use the modified interior penalty (MIP) diffusion synthetic acceleration (DSA) established by Wang and Ragusa. The partially consistent MIP equations stem from the symmetric interior penalty (IP) derivation of the diffusion equation. The IP method is not stable for optically thick cells so it was combined with the diffusion conforming form (DCF), a discretized diffusion equation derived from the discretized S N equations that is not stable for intermediate optical thicknesses. The MIP equations adapt a 'switch' to the IP method in optically thinner regions and the DCF method in optically thicker regions. The literature does not reveal any Fourier analyses performed for iterative transport on meshes with curved surfaces. Wang and Ragusa performed a Fourier analysis for orthogonal meshes and our results appear to be as expected. Previous literature has reported on some of the sensitivities that affect the spectral radius of DSA schemes: polynomial order, and scattering ratios. Presently, we focus on the sensitivity of the spectral radius to polynomial order, scattering ratio, the constant C, and mesh curvature for varying cell thicknesses. We also numerically study the behavior of the spectral radius to verify our DSA implementation. A sequence of problems is designed to exercise the acceleration. As the problems become more optically thick and diffusive, the accelerated solution continues to converge toward the analytic solution. We employ the Modular Finite Element Methods (MFEM) package, developed at Lawrence Livermore National Laboratory, to generate the linear algebraic system of equations for each angle in the discrete ordinates quadrature set, and use UMFPack to solve this system of equations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

SU-E-I-87: Automated Liver Segmentation Method for CBCT Dataset by Combining Sparse Shape Composition and Probabilistic Atlas Construction

Purpose: The aiming of this study was to extract liver structures for daily Cone beam CT (CBCT) images automatically. Methods: Datasets were collected from 50 intravenous contrast planning CT images, which were regarded as training dataset for probabilistic atlas and shape prior model construction. Firstly, probabilistic atlas and shape prior model based on sparse shape composition (SSC) were constructed by iterative deformable registration. Secondly, the artifacts and noise were removed from the daily CBCT image by an edge-preserving filtering using total variation with L1 norm (TV-L1). Furthermore, the initial liver region was obtained by registering the incoming CBCT image with the atlas utilizing edge-preserving deformable registration with multi-scale strategy, and then the initial liver region was converted to surface meshing which was registered with the shape model where the major variation of specific patient was modeled by sparse vectors. At the last stage, the shape and intensity information were incorporated into joint probabilistic model, and finally the liver structure was extracted by maximum a posteriori segmentation.Regarding the construction process, firstly the manually segmented contours were converted into meshes, and then arbitrary patient data was chosen as reference image to register with the rest of training datasets by deformable registration algorithm for constructing probabilistic atlas and prior shape model. To improve the efficiency of proposed method, the initial probabilistic atlas was used as reference image to register with other patient data for iterative construction for removing bias caused by arbitrary selection. Results: The experiment validated the accuracy of the segmentation results quantitatively by comparing with the manually ones. The volumetric overlap percentage between the automatically generated liver contours and the ground truth were on an average 88%–95% for CBCT images. Conclusion: The experiment demonstrated that liver structures of CBCT with artifacts can be extracted accurately for following adaptive radiation therapy. This work is supported by National Natural Science Foundation of China (No. 61201441), Research Fund for Excellent Young and Middle-aged Scientists of Shandong Province (No. BS2012DX038), Project of Shandong Province Higher Educational Science and Technology Program (No. J12LN23), Jinan youth science and technology star (No.20120109)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2011

Measurement of regional compliance using 4DCT images for assessment of radiation treatment

Purpose: Radiation-induced damage, such as inflammation and fibrosis, can compromise ventilation capability of local functional units (alveoli) of the lung. Ventilation function as measured with ventilation images, however, is often complicated by the underlying mechanical variations. The purpose of this study is to present a 4DCT-based method to measure the regional ventilation capability, namely, regional compliance, for the evaluation of radiation-induced lung damage. Methods: Six 4DCT images were investigated in this study: One previously used in the generation of a POPI model and the other five acquired at Henry Ford Health System. A tetrahedral geometrical model was created and scaled to encompass each of the 4DCT image domains. Image registrations were performed on each of the 4DCT images using a multiresolution Demons algorithm. The images at the end of exhalation were selected as a reference. Images at other exhalation phases were registered to the reference phase. For the POPI-modeled patient, each of these registration instances was validated using 40 landmarks. The displacement vector fields (DVFs) were used first to calculate the volumetric variation of each tetrahedron, which represents the change in the air volume. The calculated results were interpolated to generate 3D ventilation images. With the computed DVF, a finite element method (FEM) framework was developed to compute the stress images of the lung tissue. The regional compliance was then defined as the ratio of the ventilation and stress values and was calculated for each phase. Based on iterative FEM simulations, the potential range of the mechanical parameters for the lung was determined by comparing the model-computed average stress to the clinical reference value of airway pressure. The effect of the parameter variations on the computed stress distributions was estimated using Pearson correlation coefficients. Results: For the POPI-modeled patient, five exhalation phases from the start to the end of exhalation were denoted by P{sub i}, i=1,...,5, respectively. The average lung volume variation relative to the reference phase (P{sub 5}) was reduced from 18% at P{sub 1} to 4.8% at P{sub 4}. The average stress at phase P{sub i} was 1.42, 1.34, 0.74, and 0.28 kPa, and the average regional compliance was 0.19, 0.20, 0.20, and 0.24 for i=1,...,4, respectively. For the other five patients, their average R{sub v} value at the end-inhalation phase was 21.1%, 19.6%, 22.4%, 22.5%, and 18.8%, respectively, and the regional compliance averaged over all six patients is 0.2. For elasticity parameters chosen from the potential parameter range, the resultant stress distributions were found to be similar to each other with Pearson correlation coefficients greater than 0.81. Conclusions: A 4DCT-based mechanical model has been developed to calculate the ventilation and stress images of the lung. The resultant regional compliance represents the lung's elasticity property and is potentially useful in correlating regions of lung damage with radiation dose following a course of radiation therapy.

60 APPLIED LIFE SCIENCES↗