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Theoretical Calculation for the Ionization of Molecules by Short Strong Laser Pulses

We have developed several calculation methods for the ionization of atoms and molecules by strong and ultrashort laser pulses, based on the numerical solution of the time dependent Schroedinger equation (TDSE) in the momentum space. We have performed calculations within the strong field approximation (Volkov) and using iterative and direct methods for solving the TDSE. The investigated molecules are H{sub 2}{sup +} and H{sub 2}O. In case of the ionization of diatomic molecules the interference effects in the ejected electron spectra due to the coherent addition of the waves associated to the electrons ejected from the vicinity of different nuclei were also analysed.

74 ATOMIC AND MOLECULAR PHYSICS↗

Angular Distribution of Dimuons from Drell-Yan Production in p+Fe Interactions at 120 GeV Beam Energy

In the E906/SeaQuest Fermilab experiment, we report a measurement of the angular distributions by measuring the angular parameters $\lambda$, $\mu$, and $\nu$ of Drell-Yan dimuons produced using a 120 GeV proton beam incident on an iron target. The angular distribution in the naive Drell-Yan model does not show any $\cos2\phi$ dependency, where $\phi$ denotes the azimuthal angle of dimuons in the Collins-Soper frame. However, pion-induced Drell-Yan experiments, such as NA10 and E615, have observed a significant dependence on $\cos2\phi$. The Boer–Mulders function, a transverse momentum-dependent distribution function, represents the correlation between the transverse spin and the transverse momentum of the quark. A non-zero Boer-Mulders function or an improved higher-order Drell-Yan model considering QCD effects can produce a $\cos 2\phi$ modulation in the Drell-Yan angular distribution. To measure the angular distributions, we have used an event mixing method to construct the combin atorial background, which was then subtracted from the data to isolate the Drell-Yan signal. Following this, we corrected the detector, trigger, and reconstruction efficiencies using a doubly-iterative Bayesian Unfolding method. This iterative unfolding technique improves the response matrix based on the results of the previous unfolding step, ensuring robust convergence without exaggeration of uncertainties. The angular distributions of the dimuons were measured over the invariant mass range $5.0 < M_{\mu^+ \mu^-} < 8.0$ $GeV/c^2$, with dimuon transverse momentum $P_T < 2$ GeV/c and Feynman-x $-0.18 < x_F < 0.9$. The measured angular distributions are then compared with the QCD calculations for $p + \text{Fe}$ interactions, and proton-induced angular distribution measurements from other experiments. We have observed weak $\cos 2\phi$ modulations as a function of $P_T$. For $P_T > 1.0 \, \text{GeV}/c$, the predicted NNLO perturbative QCD value of $\nu$ is larger than what we have me asured at E906/SeaQuest. Moreover, we have not observed a strong dependence of $\nu$ on the kinematic variables, such as dimuon mass $M_{\mu^+ \mu^-}$ and Bjorken-$x$. The spin alignment of the virtual photon, $\lambda$, measured from the SeaQuest Drell-Yan $p+\text{Fe}$ data, is found to be strongly dependent on $P_T$, decreasing as $P_T$ increases. $\lambda$ also holds to the upper bound condition $\lambda < 1.0$ within the statistical uncertainty, showing a trend similar to that predicted by NNLO perturbative QCD. However, for $1.0 < P_T < 2.0 \, \text{GeV}/c$, the extracted $\lambda$ value from SeaQuest is smaller than that predicted by perturbative QCD at NNLO.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Preliminary Study on TRISO Fuel Cross Section Generation

Cross section self-shielding methodologies for TRISO fuel were assessed to provide accurate multigroup cross sections for a high-fidelity reactor physics code so that the code is able to accurately model and simulate advanced reactors with TRISO fuel. Initially, the two existing methodologies (the SCALE method and the Sanchez-Pomraning method) were studied and implemented to MC2-3 for detailed performance tests. Additionally, a new spatial self-shielding method, named the iterative local spatial self-shielding (ILSS) method, for particulate fuels was developed based on the disadvantage factor and implemented to MC2-3 as well. The new method approximately accounts for the effect of randomly distributed particles on the particle shadowing effect using a homogenized compact region surrounding a particle of interest at the center. The self-shielded cross sections of the particle at the center are determined iteratively since the cross sections of the homogenized compact region are calculated using them. For the energy range above 100 keV where the fuel-to-moderator ratio is more important than the random distribution of particles, a single particle unit-cell model is used by preserving the average amount of moderator per fuel particle in the system. The three self-shielding methods implemented in MC2-3 were tested using numerical benchmark problems made based on fuel compact problems of a prismatic-type very high temperature reactor. Test results indicated that the ILSS method produced slightly better results than the SCALE and Sanchez-Pomraning methods, compared to the Serpent-2 Monte Carlo results obtained with 25 independent random particle configurations. The SCALE and Sanchez-Pomraning methods tend to underestimate the heterogeneity effect by 150 and 100 pcm, respectively, while the new ILSS method overestimates the heterogeneity effect by 70 pcm. In future, the new self-shielding method will be extended to perform pebble calculations and compare results with those from the SCALE and Sanchez-Pomraning methods. Furthermore, the new method will be optimized for practical applications to on-the-fly resonance treatment for lattice or whole-core calculations for advanced reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Rayleigh Quotient Iteration in 3D, Deterministic Neutron Transport

Today's "grand challenge" neutron transport problems require 3-D meshes with billions of cells, hundreds of energy groups, and accurate quadratures and scattering expansions. Leadership-class computers provide platforms on which high-fidelity fluxes can be calculated. However, appropriate methods are needed that can use these machines effectively. Such methods must be able to use hundreds of thousands of cores and have good convergence properties. Rayleigh quotient iteration (RQI) is an eigenvalue solver that has been added to the Sn code Denovo to address convergence. Rayleigh quotient iteration is an optimal shifted inverse iteration method that should converge in fewer iterations than the more common power method and other shifted inverse iteration methods for many problems of interest. Denovo's RQI uses a new multigroup Krylov solver for the fixed source solutions inside every iteration that allows parallelization in energy in addition to space and angle. This Krylov solver has been shown to scale successfully to 200,000 cores: for example one test problem scaled from 69,120 cores to 190,080 cores with 98% efficiency. This paper shows that RQI works for some small problems. However, the Krylov method upon which it relies does not always converge because RQI creates ill-conditioned systems. This result leads to the conclusion that preconditioning is needed to allow this method to be applicable to a wider variety of problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Observation of a high-energy tail in ion energy distribution in the cylindrical Hall thruster plasma

A novel method is presented to determine populations and ion energy distribution functions (IEDFs) of individual ion species having different charge states in an ion beam from the measured spectrum of an E × B probe. The inversion of the problem is performed by adopting the iterative Tikhonov regularization method with the characteristic matrices obtained from the calculated ion trajectories. In a cylindrical Hall thruster plasma, an excellent agreement is observed between the IEDFs by an E × B probe and those by a retarding potential analyzer. The existence of a high-energy tail in the IEDF is found to be mainly due to singly charged Xe ions, and is interpreted in terms of non-linear ion acceleration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

RAYLEIGH QUOTIENT ITERATION IN 3D, DETERMINISTIC NEUTRON TRANSPORT

Today’s “grand challenge” neutron transport problems require 3-D meshes with billions of cells, hundreds of energy groups, and accurate quadratures and scattering expansions. Leadership-class computers provide platforms on which high-fidelity fluxes can be calculated. However, appropriate methods are needed that can use these machines effectively. Such methods must be able to to use hundreds of thousands of cores and have good convergence properties. Rayleigh quotient iteration (RQI) is an eigenvalue solver that has been added to the SN code Denovo to address convergence. Rayleigh quotient iteration is an optimal shifted inverse iteration method that should converge in fewer iterations than the more common power method and other shifted inverse iteration methods for many problems of interest. Denovo’s RQI uses a new multigroup Krylov solver for the fixed source solutions inside every iteration that allows parallelization in energy in addition to space and angle. This Krylov solver has been shown to scale successfully to 200,000 cores: for example one test problem scaled from 69,120 cores to 190,080 cores with 98% efficiency. This paper shows that RQI works for some small problems. However, the Krylov method upon which it relies does not always converge because RQI creates ill-conditioned systems. This result leads to the conclusion that preconditioning is needed to allow this method to be applicable to a wider variety of problems.

Slaybaugh, R. N.↗

SymProp: Scaling Sparse Symmetric Tucker Decomposition via Symmetry Propagation

Sparse symmetric tensors are an important class of tensors, and their decompositions serve as powerful tools for revealing low-rank structures. This paper introduces SymProp, a novel approach for scaling sparse symmetric Tucker decomposition by propagating symmetry through intermediate computations. SymProp optimizes two key computational kernels: Sparse Symmetric Tensor Times Same Matrix chain (S3 TTMc) for Higher-Order Orthogonal Iteration (HOOI) and Sparse Symmetric Tensor Times Same Matrix chain Times Core (S3 TTMcTC) for Higher-Order QR Iteration (HOQRI). Our method employs a metaprogramming-based index iteration approach to efficiently handle the upper triangular parts of intermediate dense symmetric tensors. SymProp achieves up to 50.9× speedup over SPLATT and up to 360.8× over Compressed Sparse Symmetric (CSS) format on the S3 TTMc operation. Moreover, our S3 TTMc and S3 TTMcTC implementations support tensor orders four levels higher than state-of-the-art methods. Our HOQRI demonstrates superior scalability and up to a 33.6× speedup over optimized HOOI. By enabling more scalable Tucker decompositions for higher orders, decomposition ranks, and dimension sizes, SymProp opens new possibilities for analyzing complex hypergraph structures in fields such as network science, data mining, and machine learning.

Li, Zecheng [North Carolina State University]↗

Statistical model based iterative reconstruction (MBIR) in clinical CT systems: Experimental assessment of noise performance

Purpose: To reduce radiation dose in CT imaging, the statistical model based iterative reconstruction (MBIR) method has been introduced for clinical use. Based on the principle of MBIR and its nonlinear nature, the noise performance of MBIR is expected to be different from that of the well-understood filtered backprojection (FBP) reconstruction method. The purpose of this work is to experimentally assess the unique noise characteristics of MBIR using a state-of-the-art clinical CT system. Methods: Three physical phantoms, including a water cylinder and two pediatric head phantoms, were scanned in axial scanning mode using a 64-slice CT scanner (Discovery CT750 HD, GE Healthcare, Waukesha, WI) at seven different mAs levels (5, 12.5, 25, 50, 100, 200, 300). At each mAs level, each phantom was repeatedly scanned 50 times to generate an image ensemble for noise analysis. Both the FBP method with a standard kernel and the MBIR method (Veo{sup ®}, GE Healthcare, Waukesha, WI) were used for CT image reconstruction. Three-dimensional (3D) noise power spectrum (NPS), two-dimensional (2D) NPS, and zero-dimensional NPS (noise variance) were assessed both globally and locally. Noise magnitude, noise spatial correlation, noise spatial uniformity and their dose dependence were examined for the two reconstruction methods. Results: (1) At each dose level and at each frequency, the magnitude of the NPS of MBIR was smaller than that of FBP. (2) While the shape of the NPS of FBP was dose-independent, the shape of the NPS of MBIR was strongly dose-dependent; lower dose lead to a “redder” NPS with a lower mean frequency value. (3) The noise standard deviation (σ) of MBIR and dose were found to be related through a power law of σ ∝ (dose){sup −β} with the component β ≈ 0.25, which violated the classical σ ∝ (dose){sup −0.5} power law in FBP. (4) With MBIR, noise reduction was most prominent for thin image slices. (5) MBIR lead to better noise spatial uniformity when compared with FBP. (6) A composite image generated from two MBIR images acquired at two different dose levels (D1 and D2) demonstrated lower noise than that of an image acquired at a dose level of D1+D2. Conclusions: The noise characteristics of the MBIR method are significantly different from those of the FBP method. The well known tradeoff relationship between CT image noise and radiation dose has been modified by MBIR to establish a more gradual dependence of noise on dose. Additionally, some other CT noise properties that had been well understood based on the linear system theory have also been altered by MBIR. Clinical CT scan protocols that had been optimized based on the classical CT noise properties need to be carefully re-evaluated for systems equipped with MBIR in order to maximize the method's potential clinical benefits in dose reduction and/or in CT image quality improvement.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

4D cone beam CT via spatiotemporal tensor framelet

Purpose: On-board 4D cone beam CT (4DCBCT) offers respiratory phase-resolved volumetric imaging, and improves the accuracy of target localization in image guided radiation therapy. However, the clinical utility of this technique has been greatly impeded by its degraded image quality, prolonged imaging time, and increased imaging dose. The purpose of this letter is to develop a novel iterative 4DCBCT reconstruction method for improved image quality, increased imaging speed, and reduced imaging dose. Methods: The essence of this work is to introduce the spatiotemporal tensor framelet (STF), a high-dimensional tensor generalization of the 1D framelet for 4DCBCT, to effectively take into account of highly correlated and redundant features of the patient anatomy during respiration, in a multilevel fashion with multibasis sparsifying transform. The STF-based algorithm is implemented on a GPU platform for improved computational efficiency. To evaluate the method, 4DCBCT full-fan scans were acquired within 30 s, with a gantry rotation of 200°; STF is also compared with a state-of-art reconstruction method via spatiotemporal total variation regularization. Results: Both the simulation and experimental results demonstrate that STF-based reconstruction achieved superior image quality. The reconstruction of 20 respiratory phases took less than 10 min on an NVIDIA Tesla C2070 GPU card. The STF codes are available at https://sites.google.com/site/spatiotemporaltensorframelet . Conclusions: By effectively utilizing the spatiotemporal coherence of the patient anatomy among different respiratory phases in a multilevel fashion with multibasis sparsifying transform, the proposed STF method potentially enables fast and low-dose 4DCBCT with improved image quality.

60 APPLIED LIFE SCIENCES↗

Light field moment imaging with the ptychographic iterative engine

The recently developed Light Field Moment Imaging (LMI) is adopted to show the stereoscopic structure of the sample studied in Coherent Diffractive Imaging (CDI), where 3D image were always generated with complicated experimental procedure such as the rotation of the sample and time-consuming computation. The animation of large view angle can be generated with LMI very quickly, and the 3D structure of sample can be shown vividly. This method can find many applications for the coherent diffraction imaging with x-ray and electron beams, where a glimpse of the hierarchical structure required and the quick and simple 3D view of object is sufficient. The feasibility of this method is demonstrated theoretically and experimentally with a recently developed CDI method called Ptychographic Iterative Engine.

36 MATERIALS SCIENCE↗

TH-EF-BRB-05: 4pi Non-Coplanar IMRT Beam Angle Selection by Convex Optimization with Group Sparsity Penalty

Purpose: Integrated beam orientation and fluence map optimization is expected to be the foundation of robust automated planning but existing heuristic methods do not promise global optimality. We aim to develop a new method for beam angle selection in 4π non-coplanar IMRT systems based on solving (globally) a single convex optimization problem, and to demonstrate the effectiveness of the method by comparison with a state of the art column generation method for 4π beam angle selection. Methods: The beam angle selection problem is formulated as a large scale convex fluence map optimization problem with an additional group sparsity term that encourages most candidate beams to be inactive. The optimization problem is solved using an accelerated first-order method, the Fast Iterative Shrinkage-Thresholding Algorithm (FISTA). The beam angle selection and fluence map optimization algorithm is used to create non-coplanar 4π treatment plans for several cases (including head and neck, lung, and prostate cases) and the resulting treatment plans are compared with 4π treatment plans created using the column generation algorithm. Results: In our experiments the treatment plans created using the group sparsity method meet or exceed the dosimetric quality of plans created using the column generation algorithm, which was shown superior to clinical plans. Moreover, the group sparsity approach converges in about 3 minutes in these cases, as compared with runtimes of a few hours for the column generation method. Conclusion: This work demonstrates the first non-greedy approach to non-coplanar beam angle selection, based on convex optimization, for 4π IMRT systems. The method given here improves both treatment plan quality and runtime as compared with a state of the art column generation algorithm. When the group sparsity term is set to zero, we obtain an excellent method for fluence map optimization, useful when beam angles have already been selected. NIH R43CA183390, NIH R01CA188300, Varian Medical Systems; Part of this research took place while D. O’Connor was a summer intern at RefleXion Medical.

60 APPLIED LIFE SCIENCES↗

Statistical model based iterative reconstruction (MBIR) in clinical CT systems. Part II. Experimental assessment of spatial resolution performance

Purpose: Statistical model based iterative reconstruction (MBIR) methods have been introduced to clinical CT systems and are being used in some clinical diagnostic applications. The purpose of this paper is to experimentally assess the unique spatial resolution characteristics of this nonlinear reconstruction method and identify its potential impact on the detectabilities and the associated radiation dose levels for specific imaging tasks. Methods: The thoracic section of a pediatric phantom was repeatedly scanned 50 or 100 times using a 64-slice clinical CT scanner at four different dose levels [CTDI{sub vol} =4, 8, 12, 16 (mGy)]. Both filtered backprojection (FBP) and MBIR (Veo{sup ®}, GE Healthcare, Waukesha, WI) were used for image reconstruction and results were compared with one another. Eight test objects in the phantom with contrast levels ranging from 13 to 1710 HU were used to assess spatial resolution. The axial spatial resolution was quantified with the point spread function (PSF), while the z resolution was quantified with the slice sensitivity profile. Both were measured locally on the test objects and in the image domain. The dependence of spatial resolution on contrast and dose levels was studied. The study also features a systematic investigation of the potential trade-off between spatial resolution and locally defined noise and their joint impact on the overall image quality, which was quantified by the image domain-based channelized Hotelling observer (CHO) detectability index d′. Results: (1) The axial spatial resolution of MBIR depends on both radiation dose level and image contrast level, whereas it is supposedly independent of these two factors in FBP. The axial spatial resolution of MBIR always improved with an increasing radiation dose level and/or contrast level. (2) The axial spatial resolution of MBIR became equivalent to that of FBP at some transitional contrast level, above which MBIR demonstrated superior spatial resolution than FBP (and vice versa); the value of this transitional contrast highly depended on the dose level. (3) The PSFs of MBIR could be approximated as Gaussian functions with reasonably good accuracy. (4) Thez resolution of MBIR showed similar contrast and dose dependence. (5) Noise standard deviation assessed on the edges of objects demonstrated a trade-off with spatial resolution in MBIR. (5) When both spatial resolution and image noise were considered using the CHO analysis, MBIR led to significant improvement in the overall CT image quality for both high and low contrast detection tasks at both standard and low dose levels. Conclusions: Due to the intrinsic nonlinearity of the MBIR method, many well-known CT spatial resolution and noise properties have been modified. In particular, dose dependence and contrast dependence have been introduced to the spatial resolution of CT images by MBIR. The method has also introduced some novel noise-resolution trade-off not seen in traditional CT images. While the benefits of MBIR regarding the overall image quality, as demonstrated in this work, are significant, the optimal use of this method in clinical practice demands a thorough understanding of its unique physical characteristics.

60 APPLIED LIFE SCIENCES↗

Prediction of human observer performance in a 2-alternative forced choice low-contrast detection task using channelized Hotelling observer: Impact of radiation dose and reconstruction algorithms

Purpose: Efficient optimization of CT protocols demands a quantitative approach to predicting human observer performance on specific tasks at various scan and reconstruction settings. The goal of this work was to investigate how well a channelized Hotelling observer (CHO) can predict human observer performance on 2-alternative forced choice (2AFC) lesion-detection tasks at various dose levels and two different reconstruction algorithms: a filtered-backprojection (FBP) and an iterative reconstruction (IR) method. Methods: A 35 Multiplication-Sign 26 cm{sup 2} torso-shaped phantom filled with water was used to simulate an average-sized patient. Three rods with different diameters (small: 3 mm; medium: 5 mm; large: 9 mm) were placed in the center region of the phantom to simulate small, medium, and large lesions. The contrast relative to background was -15 HU at 120 kV. The phantom was scanned 100 times using automatic exposure control each at 60, 120, 240, 360, and 480 quality reference mAs on a 128-slice scanner. After removing the three rods, the water phantom was again scanned 100 times to provide signal-absent background images at the exact same locations. By extracting regions of interest around the three rods and on the signal-absent images, the authors generated 21 2AFC studies. Each 2AFC study had 100 trials, with each trial consisting of a signal-present image and a signal-absent image side-by-side in randomized order. In total, 2100 trials were presented to both the model and human observers. Four medical physicists acted as human observers. For the model observer, the authors used a CHO with Gabor channels, which involves six channel passbands, five orientations, and two phases, leading to a total of 60 channels. The performance predicted by the CHO was compared with that obtained by four medical physicists at each 2AFC study. Results: The human and model observers were highly correlated at each dose level for each lesion size for both FBP and IR. The Pearson's product-moment correlation coefficients were 0.986 [95% confidence interval (CI): 0.958-0.996] for FBP and 0.985 (95% CI: 0.863-0.998) for IR. Bland-Altman plots showed excellent agreement for all dose levels and lesions sizes with a mean absolute difference of 1.0%{+-} 1.1% for FBP and 2.1%{+-} 3.3% for IR. Conclusions: Human observer performance on a 2AFC lesion detection task in CT with a uniform background can be accurately predicted by a CHO model observer at different radiation dose levels and for both FBP and IR methods.

60 APPLIED LIFE SCIENCES↗

STRATEGIES IN SEISMIC INFERENCE OF SUPERGRANULAR FLOWS ON THE SUN

Observations of the solar surface reveal the presence of flows with length scales of around 35 Mm, commonly referred to as supergranules. Inferring the subsurface flow profile of supergranules from measurements of the surface and photospheric wavefield is an important challenge faced by helioseismology. Traditionally, the inverse problem has been approached by studying the linear response of seismic waves in a horizontally translationally invariant background to the presence of the supergranule; following an iterative approach that does not depend on horizontal translational invariance might perform better, since the misfit can be analyzed post iterations. In this work, we construct synthetic observations using a reference supergranule and invert for the flow profile using surface measurements of travel times of waves belonging to modal ridges f (surface gravity) and p {sub 1} through p {sub 7} (acoustic). We study the extent to which individual modes and their combinations contribute to infer the flow. We show that this method of nonlinear iterative inversion tends to underestimate the flow velocities, as well as inferring a shallower flow profile, with significant deviations from the reference supergranule near the surface. We carry out a similar analysis for a sound-speed perturbation and find that analogous near-surface deviations persist, although the iterations converge faster and more accurately. We conclude that a better approach to inversion would be to expand the supergranule profile in an appropriate basis, thereby reducing the number of parameters being inverted for and appropriately regularizing them.

79 ASTRONOMY AND ASTROPHYSICS↗

MR-based motion correction for PET imaging using wired active MR microcoils in simultaneous PET-MR: Phantom study

Purpose: Artifacts caused by head motion present a major challenge in brain positron emission tomography (PET) imaging. The authors investigated the feasibility of using wired active MR microcoils to track head motion and incorporate the measured rigid motion fields into iterative PET reconstruction. Methods: Several wired active MR microcoils and a dedicated MR coil-tracking sequence were developed. The microcoils were attached to the outer surface of an anthropomorphic{sup 18}F-filled Hoffman phantom to mimic a brain PET scan. Complex rotation/translation motion of the phantom was induced by a balloon, which was connected to a ventilator. PET list-mode and MR tracking data were acquired simultaneously on a PET-MR scanner. The acquired dynamic PET data were reconstructed iteratively with and without motion correction. Additionally, static phantom data were acquired and used as the gold standard. Results: Motion artifacts in PET images were effectively removed by wired active MR microcoil based motion correction. Motion correction yielded an activity concentration bias ranging from −0.6% to 3.4% as compared to a bias ranging from −25.0% to 16.6% if no motion correction was applied. The contrast recovery values were improved by 37%–156% with motion correction as compared to no motion correction. The image correlation (mean ± standard deviation) between the motion corrected (uncorrected) images of 20 independent noise realizations and static reference was R{sup 2} = 0.978 ± 0.007 (0.588 ± 0.010, respectively). Conclusions: Wired active MR microcoil based motion correction significantly improves brain PET quantitative accuracy and image contrast.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

MO-FG-204-03: Using Edge-Preserving Algorithm for Significantly Improved Image-Domain Material Decomposition in Dual Energy CT

Purpose: To significantly improve dual energy CT (DECT) imaging by establishing a new theoretical framework of image-domain material decomposition with incorporation of edge-preserving techniques. Methods: The proposed algorithm, HYPR-NLM, combines the edge-preserving non-local mean filter (NLM) with the HYPR-LR (Local HighlY constrained backPRojection Reconstruction) framework. Image denoising using HYPR-LR framework depends on the noise level of the composite image which is the average of the different energy images. For DECT, the composite image is the average of high- and low-energy images. To further reduce noise, one may want to increase the window size of the filter of the HYPR-LR, leading resolution degradation. By incorporating the NLM filtering and the HYPR-LR framework, HYPR-NLM reduces the boost material decomposition noise using energy information redundancies as well as the non-local mean. We demonstrate the noise reduction and resolution preservation of the algorithm with both iodine concentration numerical phantom and clinical patient data by comparing the HYPR-NLM algorithm to the direct matrix inversion, HYPR-LR and iterative image-domain material decomposition (Iter-DECT). Results: The results show iterative material decomposition method reduces noise to the lowest level and provides improved DECT images. HYPR-NLM significantly reduces noise while preserving the accuracy of quantitative measurement and resolution. For the iodine concentration numerical phantom, the averaged noise levels are about 2.0, 0.7, 0.2 and 0.4 for direct inversion, HYPR-LR, Iter- DECT and HYPR-NLM, respectively. For the patient data, the noise levels of the water images are about 0.36, 0.16, 0.12 and 0.13 for direct inversion, HYPR-LR, Iter-DECT and HYPR-NLM, respectively. Difference images of both HYPR-LR and Iter-DECT show edge effect, while no significant edge effect is shown for HYPR-NLM, suggesting spatial resolution is well preserved for HYPR-NLM. Conclusion: HYPR-NLM provides an effective way to reduce the generic magnified image noise of dual–energy material decomposition while preserving resolution. This work is supported in part by NIH grants 7R01HL111141 and 1R01-EB016777. This work is also supported by the Natural Science Foundation of China (NSFC Grant No. 81201091), Fundamental Research Funds for the Central Universities in China, and Fund Project for Excellent Abroad Scholar Personnel in Science and Technology.

60 APPLIED LIFE SCIENCES↗

Inverse Subspace Iteration for Spectral Stochastic Finite Element Methods

We study random eigenvalue problems in the context of spectral stochastic finite elements. In particular, given a parameter-dependent, symmetric positive-definite matrix operator, we explore the performance of algorithms for computing its eigenvalues and eigenvectors represented using polynomial chaos expansions. We formulate a version of stochastic inverse subspace iteration, which is based on the stochastic Galerkin finite element method, and we compare its accuracy with that of Monte Carlo and stochastic collocation methods. The coefficients of the eigenvalue expansions are computed from a stochastic Rayleigh quotient. Our approach allows the computation of interior eigenvalues by deflation methods, and we can also compute the coefficients of multiple eigenvectors using a stochastic variant of the modified Gram-Schmidt process. The effectiveness of the methods is illustrated by numerical experiments on benchmark problems arising from vibration analysis.

97 MATHEMATICS AND COMPUTING↗

Multiscale simulations of hexa-peri-hexabenzocoronene and hexa-n-dodecyl-hexa-peri-hexabenzocoronene

This study concerns atomistic and coarse-grained molecular dynamics simulations of two disk-shaped molecules in the crystalline phase. The coarse-grained models were developed by applying the Iterative Boltzmann Inversion method which is a systematic coarse-graining method. In particular, a set of radial distribution functions and intramolecular distributions are reproduced at the coarse-grained level. Before applying coarse-graining, a reliable atomistic model was developed to reproduce the main experimental properties of these molecules. The crystalline phases are analyzed in terms of the Saupe ordering tensor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗