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At least 631 records · Page 35

Reliable High Performance Peta- and Exa-Scale Computing

As supercomputers become larger and more powerful, they are growing increasingly complex. This is reflected both in the exponentially increasing numbers of components in HPC systems (LLNL is currently installing the 1.6 million core Sequoia system) as well as the wide variety of software and hardware components that a typical system includes. At this scale it becomes infeasible to make each component sufficiently reliable to prevent regular faults somewhere in the system or to account for all possible cross-component interactions. The resulting faults and instability cause HPC applications to crash, perform sub-optimally or even produce erroneous results. As supercomputers continue to approach Exascale performance and full system reliability becomes prohibitively expensive, we will require novel techniques to bridge the gap between the lower reliability provided by hardware systems and users unchanging need for consistent performance and reliable results. Previous research on HPC system reliability has developed various techniques for tolerating and detecting various types of faults. However, these techniques have seen very limited real applicability because of our poor understanding of how real systems are affected by complex faults such as soft fault-induced bit flips or performance degradations. Prior work on such techniques has had very limited practical utility because it has generally focused on analyzing the behavior of entire software/hardware systems both during normal operation and in the face of faults. Because such behaviors are extremely complex, such studies have only produced coarse behavioral models of limited sets of software/hardware system stacks. Since this provides little insight into the many different system stacks and applications used in practice, this work has had little real-world impact. My project addresses this problem by developing a modular methodology to analyze the behavior of applications and systems during both normal and faulty operation. By synthesizing models of individual components into a whole-system behavior models my work is making it possible to automatically understand the behavior of arbitrary real-world systems to enable them to tolerate a wide range of system faults. My project is following a multi-pronged research strategy. Section II discusses my work on modeling the behavior of existing applications and systems. Section II.A discusses resilience in the face of soft faults and Section II.B looks at techniques to tolerate performance faults. Finally Section III presents an alternative approach that studies how a system should be designed from the ground up to make resilience natural and easy.

97 MATHEMATICS AND COMPUTING↗

Solutions of the bound-state Faddeev-Yakubovsky equations in three dimensions by using NN and 3N potential models

A recently developed three-dimensional approach (without partial-wave decomposition) is considered to investigate solutions of Faddeev-Yakubovsky integral equations in momentum space for three- and four-body bound states, with the inclusion of three-body forces. In the calculations of the binding energies, spin-dependent nucleon-nucleon (NN) potential models [soft-core potential S3, Malfliet-Tjon (MT) I-III, Yamaguchi-type potentials (YS), and P{sub 5.5}-model of Gibson-Lehman (P{sub 55}GL)] are considered along with the scalar two-meson exchange three-body potential. The presently reported results agree well with the ones obtained by other techniques, demonstrating the advantage of an approach in which the formalism is much more simplified and easy to manage for direct computation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

In-medium loop corrections and longitudinally polarized gauge bosons in high-energy showers

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. We continue study of the case when the coherence lengths of two consecutive splitting processes overlap (which is important for understanding corrections to standard treatments of the LPM effect in QCD), avoiding soft-emission approximations. In this particular paper, we show (i) how the “instantaneous” interactions of Light-Cone Perturbation Theory must be included in the calculation to account for effects of longitudinally-polarized gauge bosons in intermediate states, and (ii) how to compute virtual corrections to LPM emission rates, which will be necessary in order to make infrared-safe calculations of the characteristics of in-medium QCD showering of high-energy partons. In order to develop these topics in as simple a context as possible, we will focus in the current paper not on QCD but on large-N f QED, where N f is the number of electron flavors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quarkonium as a relativistic bound state on the light front

We study charmonium and bottomonium as relativistic bound states in a light-front quantized Hamiltonian formalism. The effective Hamiltonian is based on light-front holography. We use a recently proposed longitudinal confinement to complete the soft-wall holographic potential for the heavy flavors. The spin structure is generated from the one-gluon exchange interaction with a running coupling. The adoption of asymptotic freedom improves the spectroscopy compared with previous light-front results. Within this model, we compute the mass spectroscopy, decay constants and the r.m.s. radii. We also present a detailed study of the obtained light-front wave functions and use the wave functions to compute the light-cone distributions, specifically the distribution amplitudes and parton distribution functions. Overall, our model provides a reasonable description of the heavy quarkonia.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Radiative Møller scattering involving polarized particles

A method for taking into account radiative events in experiments aimed at studying Møller scattering with polarized particles was developed for an arbitrary implementation of such experiments. A computer code used to perform a numerical analysis with allowance for the kinematical conditions of the MOLLER experiment at the Thomas Jefferson National Accelerator Facility (Jefferson Lab or JLab) was constructed. The respective results were compared with their counterparts obtained in the soft-photon approximation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sigma Team for Advanced Actinide Recycle FY2015 Accomplishments and Directions

The Sigma Team for Minor Actinide Recycle (STAAR) has made notable progress in FY 2015 toward the overarching goal to develop more efficient separation methods for actinides in support of the United States Department of Energy (USDOE) objective of sustainable fuel cycles. Research in STAAR has been emphasizing the separation of americium and other minor actinides (MAs) to enable closed nuclear fuel recycle options, mainly within the paradigm of aqueous reprocessing of used oxide nuclear fuel dissolved in nitric acid. Its major scientific challenge concerns achieving selectivity for trivalent actinides vs lanthanides. Not only is this challenge yielding to research advances, but technology concepts such as ALSEP (Actinide Lanthanide Separation) are maturing toward demonstration readiness. Efforts are organized in five task areas: 1) combining bifunctional neutral extractants with an acidic extractant to form a single process solvent, developing a process flowsheet, and demonstrating it at bench scale; 2) oxidation of Am(III) to Am(VI) and subsequent separation with other multivalent actinides; 3) developing an effective soft-donor solvent system for An(III) selective extraction using mixed N,O-donor or all-N donor extractants such as triazinyl pyridine compounds; 4) testing of inorganic and hybrid-type ion exchange materials for MA separations; and 5) computer-aided molecular design to identify altogether new extractants and complexants and theory-based experimental data interpretation. Within these tasks, two strategies are employed, one involving oxidation of americium to its pentavalent or hexavalent state and one that seeks to selectively complex trivalent americium either in the aqueous phase or the solvent phase. Solvent extraction represents the primary separation method employed, though ion exchange and crystallization play an important role. Highlights of accomplishments include: Confirmation of the first-ever electrolytic oxidation of Am(III) in a noncomplexing aqueous solution and submission of this scientific breakthrough as a paper in Science; The first-ever co-crystallization of Am(VI) with UO 2 (NO 3 ) 2 ∙ 6H 2 O, opening the door to a new approach for separating hexavalent actinides as a group; Results showing that three potentially problematic metals will not present risk in ALSEP; Improvement in ALSEP contactor stripping kinetics to acceptable performance; A comparison of centrifugal contactors vs mixer-settlers showing the former performs better in ALSEP stripping; Synthesis of new mixed N,O-donor extractants with enhanced solubility and strength for selective trivalent actinide extraction; Development of computational methods showing promise in prediction of the selectivity of new extractants for trivalent actinides vs lanthanides; An order-of-magnitude improvement in aqueous Am/Eu complexation selectivity of an alternative macrocyclic stripping agent for ALSEP, potentially enabling an option for an Am product stream free from both Ln and Cm. An alternative aqueous combination of dipicolinate complexant and malonate buffer that may present options for ALSEP and TALSPEAK (Trivalent Actinide-Lanthanide Separations by Phosphorus-reagent Extraction from Aqueous Komplexes) type separations. The ALSEP concept is advancing toward a benchtop flowsheet demonstration planned for FY 2016, and a bench-scale test bed at Idaho National Laboratory (INL) will be employed to demonstrate at least one tandem Am oxidation and separation concept. This report outlines the goals of the STAAR, significance of achieving these goals, STAAR organization around the above aims and questions, recent highlights, and future directions. The report also includes a listing of publications, reports, patents, and dissertations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Probing the solidification of quasicrystals via joint experiment and simulation (Final Report)

Quasicrystals (QCs) possess long-range positional order but non-crystallographic orientational order. Their classically ‘forbidden’ symmetry has long attracted the interest of scientists worldwide. Despite their frequent observation in both metal alloys and soft matter structures in the 35 years since their discovery, little is known about how QCs evolve from a liquid, amorphous, or crystalline precursor. In this project, we sought to resolve the enigma of QC self-assembly through a combined experimental and computational program. The Shahani group employed in situ electron and synchrotron X ray imaging to peer into the growth dynamics of QCs in a liquid, covering a broad range of length scales and solidification pathways. Glotzer's team developed new simulation models incorporating phasonic defects — which are unique to quasicrystals — and used this model to investigate two grains growing together, closely mimicking the experimental conditions. While QCs remain exceptional structures, most compounds in the realm of intermetallics adopt non-trivial geometries. In fact, only around 6% of phases are comprised of the simplest sphere packings that researchers so readily associate with metals. State-of-the-art knowledge of phase transformations at the outset of this collaborative project did not encompass the remaining 94% of intermetallic compounds that possess complex and aperiodic structure types. Therefore, we expect that outcomes from this project will have immediate and profound impact on synthesis and processing science: our efforts will be used to not only explain the growth dynamics of QCs but also complex intermetallics more broadly.

36 MATERIALS SCIENCE↗

Semi-inclusive wino and higgsino annihilation to LL'

Here, we systematically compute the annihilation rate for winos and higgsinos into the final state relevant for indirect detection experiments, γ + X. The radiative corrections to this process receive enhancement from the large Bloch-Nordsieck-Violating Sudakov logarithm, log(2M${\chi }$/M W ). We resum the double logs and include single logs to fixed order using a formalism that combines nonrelativistic and soft-collinear effective field theories. For the wino case, we update an earlier exclusion adapting results of the HESS experiment. At the thermal relic mass of 3 TeV, LL' corrections result in a ~30% reduction in rate relative to LL. But, single logs do not save the wino, and it is still excluded by an order of magnitude. Finally, experimental cuts produce an endpoint region which, our results show, significantly effects the higgsino rate at its thermal-relic mass near 1 TeV and is deserving of further study.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Two-Particle Correlation Function for Systems with Long-Range Interactions

In this paper, we study the truncated two-particle correlation function in particle systems with long range interactions. For Coulombian and soft potentials, we define and give well-posedness results for the equilibrium correlations. In the Coulombian case, we prove the onset of the Debye screening length in the equilibrium correlations, for suitable velocity distributions. Additionally, we give precise estimates on the effective range of interaction between particles. In the case of soft potential interaction the equilibrium correlations and their fluxes in the space of velocities are shown to be linearly stable.

97 MATHEMATICS AND COMPUTING↗

Self-organizing sensing and actuation for automatic control

A Self-Organizing Process Control Architecture is introduced with a Sensing Layer, Control Layer, Actuation Layer, Process Layer, as well as Self-Organizing Sensors (SOS) and Self-Organizing Actuators (SOA). A Self-Organizing Sensor for a process variable with one or multiple input variables is disclosed. An artificial neural network (ANN) based dynamic modeling mechanism as part of the Self-Organizing Sensor is described. As a case example, a Self-Organizing Soft-Sensor for CFB Boiler Bed Height is presented. Also provided is a method to develop a Self-Organizing Sensor.

97 MATHEMATICS AND COMPUTING↗

Validation for 2D/3D registration I: A new gold standard data set

Purpose: In this article, the authors propose a new gold standard data set for the validation of two-dimensional/three-dimensional (2D/3D) and 3D/3D image registration algorithms. Methods: A gold standard data set was produced using a fresh cadaver pig head with attached fiducial markers. The authors used several imaging modalities common in diagnostic imaging or radiotherapy, which include 64-slice computed tomography (CT), magnetic resonance imaging using Tl, T2, and proton density sequences, and cone beam CT imaging data. Radiographic data were acquired using kilovoltage and megavoltage imaging techniques. The image information reflects both anatomy and reliable fiducial marker information and improves over existing data sets by the level of anatomical detail, image data quality, and soft-tissue content. The markers on the 3D and 2D image data were segmented using ANALYZE 10.0 (AnalyzeDirect, Inc., Kansas City, KN) and an in-house software. Results: The projection distance errors and the expected target registration errors over all the image data sets were found to be less than 2.71 and 1.88 mm, respectively. Conclusions: The gold standard data set, obtained with state-of-the-art imaging technology, has the potential to improve the validation of 2D/3D and 3D/3D registration algorithms for image guided therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Compact 'diode-based' multi-energy soft x-ray diagnostic for NSTX

A novel and compact, diode-based, multi-energy soft x-ray (ME-SXR) diagnostic has been developed for the National Spherical Tokamak Experiment. The new edge ME-SXR system tested on NSTX consists of a set of vertically stacked diode arrays, each viewing the plasma tangentially through independent pinholes and filters providing an overlapping view of the plasma midplane which allows simultaneous SXR measurements with coarse sub-sampling of the x-ray spectrum. Using computed x-ray spectral emission data, combinations of filters can provide fast (>10 kHz) measurements of changes in the electron temperature and density profiles providing a method to 'fill-in' the gaps of the multi-point Thomson scattering system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Probing phonon softening in ferroelectrics by scanning probe microwave spectroscopy

Microwave measurements have recently been successfully applied to measure ferroelectric materials on the nanoscale, including detection of polarization switching and ferroelectric domain walls. In this study we discuss the question of whether scanning probe microscopy operating at microwave frequency can identify the changes associated with the soft phonon dynamics in a ferroic. The analytical expressions for the electric potential, complex impedance, and dielectric losses are derived and analyzed, since these physical quantities are linked to experimentally measurable properties of the ferroic. As a ferroic we consider virtual or proper ferroelectric with an optic phonon mode that softens at a Curie point. We also consider a decay mechanism linked to the conductance of the ferroic, thus manifesting itself as the dielectric loss in the material. Our key finding is that the influence of the soft phonon dispersion on the surface potential distribution, complex impedance, and dielectric losses are evidently strong in the vicinity (~10–30 K) of the Curie temperature. Additionally, we quantified how the spatial distribution and frequency spectra of the complex impedance and the dielectric losses react on the dynamics of the soft phonons near the Curie point. These results set the stage for characterization of polar phase transitions with nanoscale microwave measurements, providing a complementary approach to well established electromechanical measurements for fundamental understanding of ferroelectric properties as well as their applications in telecommunication and computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Time-varying oscillations in the solar soft X-ray flux as observed from Skylab

Observations obtained by the Skylab/Apollo telescope S-056 X-ray experiment were used to study the time-varying oscillations in the solar soft X-ray flux during a flare. The observations consisted of count rates measured every 2.5 s by sealed, gas-filled counters operating over the 2.5-7.25-A and 6.1-20.0-A wavelength ranges. The power spectra for two other intervals were computed to determine whether the observed oscillations were flare-associated or instrumental in origin. The data indicate that the oscillations in the flare-associated X-ray flux are caused by waves which are generated during the flare and which periodically increase the electron density. No oscillations were observed during quiet periods.

Teuber, D. L.↗

Advanced Computational Framework for Environmental Management ZEM, Version 1.x

Typically environmental management problems require analysis of large and complex data sets originating from concurrent data streams with different data collection frequencies and pedigree. These big data sets require on-the-fly integration into a series of models with different complexity for various types of model analyses where the data are applied as soft and hard model constraints. This is needed to provide fast iterative model analyses based on the latest available data to guide decision-making. Furthermore, the data and model are associated with uncertainties. The uncertainties are probabilistic (e.g. measurement errors) and non-probabilistic (unknowns, e.g. alternative conceptual models characterizing site conditions). To address all of these issues, we have developed an integrated framework for real-time data and model analyses for environmental decision-making called ZEM. The framework allows for seamless and on-the-fly integration of data and modeling results for robust and scientifically-defensible decision-making applying advanced decision analyses tools such as Bayesian- Information-Gap Decision Theory (BIG-DT). The framework also includes advanced methods for optimization that are capable of dealing with a large number of unknown model parameters, and surrogate (reduced order) modeling capabilities based on support vector regression techniques. The framework is coded in Julia, a state-of-the-art high-performance programing language (http://julialang.org). The ZEM framework is open-source and can be applied to any environmental management site. The framework will be open-source and released under GPL V3 license.

Vesselinov, VelimirV.↗

Dosimetric Impact of Online Correction via Cone-Beam CT-Based Image Guidance for Stereotactic Lung Radiotherapy

Purpose: To evaluate the dosimetric impact of online cone-beam computed tomography (CBCT) guided correction in lung stereotactic body radiation therapy (SBRT). Methods and Materials: Twenty planning and 162 CBCT images from 20 patients undergoing lung SBRT were analyzed. The precorrection CBCT (CBCT after patient setup, no couch correction) was registered to planning CT using soft tissue; couch shift was applied, with a second CBCT for verification (postcorrection CBCT). Targets and normal structures were delineated on CBCTs: gross tumor volume (GTV), clinical target volume (CTV), cord, esophagus, lung, proximal bronchial tree, and aorta. Dose distributions on all organs manifested on each CBCT were compared with those planned on the CT. Results: Without CBCT guided target position correction, target dose reduced with respect to treatment plan. Mean and standard deviation of treatment dose discrepancy from the plan were -3.2% (4.9%), -2.1% (4.4%), -6.1% (10.7%), and -3.5% (7%) for GTV D{sub 99%}, GTV D{sub 95%}, CTV D{sub 99%}, and CTV D{sub 95%}, respectively. With CBCT correction, the results were -0.4% (2.6%), 0.1% (1.7%), -0.3% (4.2%), and 0.5% (3%). Mean and standard deviation of the difference in normal organ maximum dose were 2.2% (6.5%) before correction and 2.4% (5.9%) after correction for esophagus; 6.1% (14.1%) and 3.8% (8.1%) for cord; 3.1% (17.5%) and 6.2% (9.8%) for proximal bronchial tree; and 17.7% (19.5%) and 14.1% (17%) for aorta. Conclusion: Online CBCT guidance improves the accuracy of target dose delivery for lung SBRT. However, treatment dose to normal tissue can vary regardless of the correction. Normal tissues should be considered during target registration, according to target proximity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗