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At least 1,099 records · Page 61

Electron-Beam Dynamics for an Advanced Flash-Radiography Accelerator

Beam dynamics issues were assessed for a new linear induction electron accelerator being designed for multipulse flash radiography of large explosively driven hydrodynamic experiments. Special attention was paid to equilibrium beam transport, possible emittance growth, and beam stability. Especially problematic would be high-frequency beam instabilities that could blur individual radiographic source spots, low-frequency beam motion that could cause pulse-to-pulse spot displacement, and emittance growth that could enlarge the source spots. Furthermore, beam physics issues were examined through theoretical analysis and computer simulations, including particle-in-cell codes. Beam instabilities investigated included beam breakup, image displacement, diocotron, parametric envelope, ion hose, and the resistive wall instability. The beam corkscrew motion and emittance growth from beam mismatch were also studied. It was concluded that a beam with radiographic quality equivalent to the present accelerators at Los Alamos National Laboratory will result if the same engineering standards and construction details are upheld.

43 PARTICLE ACCELERATORS↗

Accelerated fast iterative shrinkage thresholding algorithms for sparsity-regularized cone-beam CT image reconstruction

Purpose: The development of iterative image reconstruction algorithms for cone-beam computed tomography (CBCT) remains an active and important research area. Even with hardware acceleration, the overwhelming majority of the available 3D iterative algorithms that implement nonsmooth regularizers remain computationally burdensome and have not been translated for routine use in time-sensitive applications such as image-guided radiation therapy (IGRT). In this work, two variants of the fast iterative shrinkage thresholding algorithm (FISTA) are proposed and investigated for accelerated iterative image reconstruction in CBCT. Methods: Algorithm acceleration was achieved by replacing the original gradient-descent step in the FISTAs by a subproblem that is solved by use of the ordered subset simultaneous algebraic reconstruction technique (OS-SART). Due to the preconditioning matrix adopted in the OS-SART method, two new weighted proximal problems were introduced and corresponding fast gradient projection-type algorithms were developed for solving them. We also provided efficient numerical implementations of the proposed algorithms that exploit the massive data parallelism of multiple graphics processing units. Results: The improved rates of convergence of the proposed algorithms were quantified in computer-simulation studies and by use of clinical projection data corresponding to an IGRT study. The accelerated FISTAs were shown to possess dramatically improved convergence properties as compared to the standard FISTAs. For example, the number of iterations to achieve a specified reconstruction error could be reduced by an order of magnitude. Volumetric images reconstructed from clinical data were produced in under 4 min. Conclusions: The FISTA achieves a quadratic convergence rate and can therefore potentially reduce the number of iterations required to produce an image of a specified image quality as compared to first-order methods. We have proposed and investigated accelerated FISTAs for use with two nonsmooth penalty functions that will lead to further reductions in image reconstruction times while preserving image quality. Moreover, with the help of a mixed sparsity-regularization, better preservation of soft-tissue structures can be potentially obtained. The algorithms were systematically evaluated by use of computer-simulated and clinical data sets.

60 APPLIED LIFE SCIENCES↗

Single-Scattering Properties of Melting Precipitation for GPM Passive Microwave and Radar Remote Sensing Applications

Over the past two decades, detailed computational simulations of the intricate three dimensional structures of ice-phase crystals and aggregates of those crystals have been developed. The microwave single-scattering properties of these simulated ice particles have been computed and used to improve quantitative estimates of snow rates and to better deRne the vertical structure of snow water contents in deep convective systems, as derived from satellite-borne passive microwave and/or radar remote sensing measurements. The same icephase particles have more recently been used as the starting point for simulations of melting precipitation using computational melting methods. In the current study, a heuristic melting method, as well as a physically-based melting procedure based on smoothed-particle hydrodynamics, are applied to ice particle models to describe the full evolution of the particles from dry snow to liquid drops. The discrete dipole approximation is utilized to calculate the single-scattering properties of the mixed-phase particles throughout the melting process. Then, the properties of the particles are “mapped” into simpliRed microphysical simulations of particle size spectra in the melting layers of stratiform, precipitating clouds. The bulk single-scattering properties of the melting layers and the sensitivity of their properties to modeling assumptions are explored, and the implications for combined radar-radiometer precipitation remote sensing from GPM are discussed.

William S Olson↗

Composite Fan Blade Design for Advanced Engine Concepts

The aerodynamic and structural viability of composite fan blades of the revolutionary Exo-Skeletal engine are assessed for an advanced subsonic mission using the NASA EST/BEST computational simulation system. The Exo-Skeletal Engine (ESE) calls for the elimination of the shafts and disks completely from the engine center and the attachment of the rotor blades in spanwise compression to a rotating casing. The fan rotor overall adiabatic efficiency obtained from aerodynamic analysis is estimated at 91.6 percent. The flow is supersonic near the blade leading edge but quickly transitions into a subsonic flow without any turbulent boundary layer separation on the blade. The structural evaluation of the composite fan blade indicates that the blade would buckle at a rotor speed that is 3.5 times the design speed of 2000 rpm. The progressive damage analysis of the composite fan blade shows that ply damage is initiated at a speed of 4870 rpm while blade fracture takes place at 7640 rpm. This paper describes and discusses the results for the composite blade that are obtained from aerodynamic, displacement, stress, buckling, modal, and progressive damage analyses. It will be demonstrated that a computational simulation capability is readily available to evaluate new and revolutionary technology such as the ESE.

Abumeri, Galib H.↗

Experimental and numerical analysis of the wing rock characteristics of a 'wing-body-tail' configuration

Free-to-roll wind tunnel tests were conducted and a computer simulation exercise was performed in an effort to investigate in detail the mechanism of wing rock on a configuration that consisted of a highly-slender forebody and a 78 deg swept delta wing. In the wind tunnel test, the roll angle and wing surface pressures were measured during the wing rock motion. A limit cycle oscillation was observed for angles of attack between 22 deg and 30 deg. In general, the wind tunnel test confirmed that the main flow phenomena responsible for the wing-body-tail wing rock are the interactions between the forebody and the wing vortices. The variation of roll acceleration (determined from the second derivative of the roll angle time history) with roll angle clearly showed the energy balance necessary to sustain the limit cycle oscillation. Pressure measurements on the wing revealed the hysteresis of the wing rock process. First, second and nth order models for the aerodynamic damping were developed and examined with a one degree of freedom computer simulation. Very good agreement with the observed behavior from the wind tunnel was obtained.

Suarez, Carlos J.↗

Effects of Al:Si and (Al+Na):Si Ratios on the Properties of the International Simple Glass, Part II: Structure

High-alumina containing high-level waste (HLW) will be vitrified at the Waste Treatment Plant at the Hanford Site. The resulting glasses, high in alumina, will have distinct composition-structure-property (C-S-P) relationships compared to previously studied HLW glasses. These C-S-P relationships determine the processability and product durability of glasses and therefore must be understood. The main purpose of this study is to understand the detailed structural changes caused by Al:Si and (Al+Na):Si substitutions in a simplified nuclear waste model glass (ISG, International Simple Glass) by combining experimental structural characterizations and molecular dynamics (MD) simulations. The structures of these two series of glasses were characterized by neutron total scattering and 27Al, 23Na, 29Si, and 11B solid-state nuclear magnetic resonance (NMR) spectroscopy. Additionally, MD simulations were used to generate atomistic structural models of the borosilicate glasses and simulation results were validated by the experimental structural data. Short-range (e.g., bond distance, coordination number, etc.) and medium-range (e.g., oxygen speciation, network connectivity, polyhedral linkages) structural features of the borosilicate glasses were systematically investigated as a function of the degree of substitution. The results show that bond distance and coordination number of the cation-oxygen pairs are relatively insensitive to Al:Si and (Al+Na):Si substitutions with the exception of the B-O pair. Additionally, the Al:Si substitution results in an increase of tri-bridging oxygen species, while (Al+Na):Si substitution creates non-bridging oxygen species. Charge compensator preferences were found for Si-[NBO] (Na+), [3]B-[NBO] (Na+), [4]B (mostly Ca2+), [4]Al (nearly equally split Na+ and Ca2+), and [6]Zr (mostly Ca2+). The network former-BO-network former linkages preferences were also tabulated; Si-O-Al and Al-O-Al were preferred at the expense of lower Si-O-[3]B and [3]B-O-[3]B linkages. These results provide insights on the structural origins of property changes such as glass transition temperature caused by the substitutions, providing a basis for future improvements of theoretical and computer simulation models.

Lu, Xiaonan↗

Internal Model-Based Active Damping Strategy for a Back-to-Back Modular Multilevel Converter System for Advanced Grid Support: Preprint

The proposed work focuses on the possibility of achieving the reduction in the size of the interfacing filter for the grid connection for a back-to-back modular multilevel converter system with the use of third order LCL filters. To achieve the same attenuation, it is possible to reduce the size of the interfacing filters by the usage of third order filters. However, this kind of filtering comes with the limitation of having sustained oscillations due to lack of damping especially during transient changes. Therefore, in this work, a methodology has been proposed based on the principle of internal model to cater for this unwanted oscillations. The third order system is modeled inside the microcontroller with the damping enabled. The error between the output from the model and the actual are compared and the error is utilized to accomplish the active damping strategy. The proposed architecture is verified via computer simulations based on MATLAB/Simulink domain and various case study results along with their discussion is presented in this paper.

dq control↗

TH-CD-202-07: A Methodology for Generating Numerical Phantoms for Radiation Therapy Using Geometric Attribute Distribution Models

Purpose: A persistent challenge for the quality assessment of radiation therapy treatments (e.g. contouring accuracy) is the absence of the known, ground truth for patient data. Moreover, assessment results are often patient-dependent. Computer simulation studies utilizing numerical phantoms can be performed for quality assessment with a known ground truth. However, previously reported numerical phantoms do not include the statistical properties of inter-patient variations, as their models are based on only one patient. In addition, these models do not incorporate tumor data. In this study, a methodology was developed for generating numerical phantoms which encapsulate the statistical variations of patients within radiation therapy, including tumors. Methods: Based on previous work in contouring assessment, geometric attribute distribution (GAD) models were employed to model both the deterministic and stochastic properties of individual organs via principle component analysis. Using pre-existing radiation therapy contour data, the GAD models are trained to model the shape and centroid distributions of each organ. Then, organs with different shapes and positions can be generated by assigning statistically sound weights to the GAD model parameters. Organ contour data from 20 retrospective prostate patient cases were manually extracted and utilized to train the GAD models. As a demonstration, computer-simulated CT images of generated numerical phantoms were calculated and assessed subjectively and objectively for realism. Results: A cohort of numerical phantoms of the male human pelvis was generated. CT images were deemed realistic both subjectively and objectively in terms of image noise power spectrum. Conclusion: A methodology has been developed to generate realistic numerical anthropomorphic phantoms using pre-existing radiation therapy data. The GAD models guarantee that generated organs span the statistical distribution of observed radiation therapy patients, according to the training dataset. The methodology enables radiation therapy treatment assessment with multi-modality imaging and a known ground truth, and without patient-dependent bias.

60 APPLIED LIFE SCIENCES↗

Positioning colloids at the surfaces of cholesteric liquid crystal droplets

We report on the internal configurations of aqueous dispersions of droplets of cholesteric liquid crystals (LCs; 5–50 μm-in-diameter; comprised of 4-cyano-4'-pentylbiphenyl and 4-(1-methylheptyloxycarbonyl)phenyl-4-hexyloxybenzoate) and their influence on the positioning of surface-adsorbed colloids (0.2 or 1 μm-in-diameter polystyrene (PS)). When N = 2D/P was less than 4, where D is the droplet diameter and P is the cholesteric pitch, the droplets adopted a twisted bipolar structure (TBS) and colloids were observed to assume positions at either the poles or equator of the droplets. A statistical analysis of the distribution of locations of the colloids revealed a potential well of depth 2.7 k B T near the equator, a conclusion that was supported by computer simulations performed via the minimization of the Landau–de Gennes free energy (well depth of 7 k B T from simulation). In contrast, for N > 4, a majority of the droplets exhibited a radial spherical structure (RSS) characterized by a pair of closely spaced surface defects (angle of separation with respect to the center of the droplet θ < 5°) connected by a disclination winding to/from the droplet center, which led to the positioning of pairs of colloids with well-defined spacing at these surface defects. The separation of the pairs of surface-adsorbed colloids was colloid size-dependent, ranging from 1.11 ± 0.04 μm for 1 μm-in-diameter colloids to 1.7 ± 0.2 μm for 200 nm-in-diameter colloids. We also observed long-lived metastable configurations in which the two surface point defects were separated by much larger distances (corresponding to populations with angles of θ = 20 ± 10° and 85 ± 10° with respect to the center), and observed these pairs of defects to also position pairs of colloids. A third configuration, the diametrical spherical structure (DSS) was also observed. Consistent with the predictions of computer simulations, we found experimentally that the DSS is indeed composed of disconnected defect rings positioned along the diameter of the droplet. Finally, these results reveal that the rich palette of defects exhibited by confined cholesteric LC systems (equilibrium and metastable) provide the basis of a versatile class of templates that enable the surface positioning of colloids in ways that are not possible with achiral LC droplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SuperNeuro: A Fast and Scalable Simulator for Neuromorphic Computing

In many neuromorphic workflows, simulators play a vital role for important tasks such as training spiking neural networks, running neuroscience simulations, and designing, implementing, and testing neuromorphic algorithms. Currently available simulators cater to either neuroscience workflows (e.g., NEST and Brian2) or deep learning workflows (e.g., BindsNET). Problematically, the neuroscience-based simulators are slow and not very scalable, and the deep learning-based simulators do not support certain functionalities that are typical of neuromorphic workloads (e.g., synaptic delay). In this paper, we address this gap in the literature and present SuperNeuro, which is a fast and scalable simulator for neuromorphic computing capable of both homogeneous and heterogeneous simulations as well as GPU acceleration. We also present preliminary results that compare SuperNeuro to widely used neuromorphic simulators such as NEST, Brian2, and BindsNET in terms of computation times. We demonstrate that SuperNeuro can be approximately 10×--300× faster than some of the other simulators for small sparse networks. On large sparse and large dense networks, SuperNeuro can be approximately 2.2×--3.4× faster than the other simulators, respectively.

Date, Prasanna↗

Generation and focusing of electron beams with initial transverse-longitudinal correlation

In charged particle beams, one of the roles played by space charge is to couple the transverse and longitudinal dynamics of the beam. This can lead to very complex phenomena which are generally studied using computer simulations. However, in some cases models based on phenomenological or analytic approximations can provide valuable insight into the system behavior. In this paper, we employ such approximations to investigate the conditions under which all the slices of a space charge dominated electron beam with slowly varying current could be focused to a waist with the same radius and at the same location, independent of slice current, and show that this can be accomplished approximately if the initial transverse-longitudinal correlation introduced onto the beam by the electron gun is chosen to compensate for the transverse-longitudinal correlation introduced onto the beam in the drift section. The validity of our approximations is assessed by use of progressively more realistic calculations. We also consider several design elements of electron guns that affect the initial correlations in the beams they generate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Data for "Photoinduced Chemomimetic Biocatalysis for Enantioselective Intermolecular Radical Conjugate Addition"

Exploiting nature’s catalysts for non-natural transformations that are inaccessible to chemocatalysis is highly desirable but challenging. On the one hand, the widespread nicotinamide-dependent oxidoreductases have not been utilized for single-electron-transfer-induced bimolecular cross-couplings; on the other, the addition of catalytic asymmetric radical conjugate to terminal alkenes remains a challenge owing to strong racemic background reaction and unselective termination of prochiral radical species. Here we report a chemomimetic biocatalysitic approach for construction of alpha-carbonyl stereocentres via an unnatural intermolecular conjugate addition of N-(acyloxy)phthalimides-derived radicals with acceptor-substituted terminal alkenes, by combination of visible-light excitation and nicotinamide-dependent ketoreductases (KREDs). Based on protein crystal structure, we engineered KREDs via a semi-rational mutagenesis strategy to improve reaction outcomes with a small and high-quality variants library. Mechanistic investigations combining wet experiments, crystallographic studies and computational simulations demonstrate that the repurposed biocatalyst can suppress racemic background reaction and unselected side reactions, yielding enantioselectivity that is challenging to achieve by chemocatalysis.

Catalysis↗

Radiation induced effects on mechanical properties of nanoporous gold foams

Previously, it was demonstrated that due to a high surface-to-volume ratio, nanoporous materials display radiation tolerance. The abundance of surfaces, which are perfect sinks for defects, and the relation between ligament size, defect diffusion, and time combine to define a window of radiation resistance [Fu et al., Appl. Phys. Lett. 101, 191607 (2012)]. Outside this window, the dominant defect created by irradiation in Au nanofoams are stacking fault tetrahedra (SFT). Molecular dynamics computer simulations of nanopillars, taken as the elemental constituent of foams, predict that SFTs act as dislocation sources inducing softening, in contrast to the usual behavior in bulk materials, where defects are obstacles to dislocation motion, producing hardening. In this work we test that prediction and answer the question whether irradiation actually hardens or softens a nanofam. Ne ion irradiations of gold nanofoams were performed at room temperature for a total dose up to 4 dpa, and their mechanical behavior was measured by nanoindentation. We observe that hardness increases after irradiation, a result that we analyze in terms of the role of SFTs on the deformation mode of foams.

36 MATERIALS SCIENCE↗

Permanent Magnet Synchronous Condenser with Solid State Excitation

A synchronous condenser consists of a free-spinning wound-field synchronous generator and a field excitation controller. In this paper, we propose a synchronous generator that employs a permanent magnet synchronous generator (PMSG) instead of a wound-field machine. PMSGs have the advantages of higher efficiency and reliability. In the proposed configuration, the reactive power control is achieved by a voltage source converter connected in series with the PMSG and the grid. The converter varies the phase voltage of the PMSG so as to create the same effect of over or under excitation in a wound-field machine. The converter output voltage level controls the amount and the direction of the produced reactive power and the voltage's phase is kept in-phase with the grid voltage except a slight phase can be introduced so that some power can be drawn from the grid for maintaining the DC bus voltage level of the converter. Since the output voltage of the converter is only a fraction of the line voltage, its VA rating is only a fraction of the rating of the PMSG. The proposed scheme is shown to be effective by computer simulation.

17 WIND ENERGY↗

Influence of linear profile modification and loading conditions on the dynamic tooth load and stress of high contact ratio gears

A computer simulation for the dynamic response of high-contact-ratio spur gear transmissions is presented. High contact ratio gears have the potential to produce lower dynamic tooth loads and minimum root stress but they can be sensitive to tooth profile errors. The analysis presented examines various profile modifications under realistic loading conditions. The effect of these modifications on the dynamic load (force) between mating gear teeth and the dynamic root stress is presented. Since the contact stress is dependent on the dynamic load, minimizing dynamic loads will also minimize contact stresses. It is shown that the combination of profile modification and the applied load (torque) carried by a gear system has a significant influence on gear dynamics. The ideal modification at one value of applied load will not be the best solution for a different load. High-contact-ratio gears were found to require less modification than standard low-contact-ratio gears. High-contact-ratio gears are more adversely affected by excess modification than by under modification. In addition, the optimal profile modification required to minimize the dynamic load (hence the contact stress) on a gear tooth differs from the optimal modification required to minimize the dynamic root (bending) stress. Computer simulation can help find the design tradeoffs to determine the best profile modification to satisfy the conflicting constraints of minimizing both the load and root stress in gears which must operate over a range of applied loads.

Lee, Chinwai↗

RF BREAKDOWN STUDIES USING PRESSURIZED CAVITIES

Many present and future particle accelerators are limited by the maximum electric gradient and peak surface fields that can be realized in RF cavities. Despite considerable effort, a comprehensive theory of RF breakdown has not been achieved and mitigation techniques to improve practical maximum accelerating gradients have had only limited success. Part of the problem is that RF breakdown in an evacuated cavity involves a complex mixture of effects, which include the geometry, metallurgy, and surface preparation of the accelerating structures and the make-up and pressure of the residual gas in which plasmas form. Studies showed that high gradients can be achieved quickly in 805 MHz RF cavities pressurized with dense hydrogen gas, as needed for muon cooling channels, without the need for long conditioning times, even in the presence of strong external magnetic fields. This positive result was expected because the dense gas can practically eliminate dark currents and multipacting. In this project we used this high pressure technique to suppress effects of residual vacuum and geometry that are found in evacuated cavities in order to isolate and study the role of the metallic surfaces in RF cavity breakdown as a function of magnetic field, frequency, and surface preparation. One of the interesting and useful outcomes of this project was the unanticipated collaborations with LANL and Fermilab that led to new insights as to the operation of evacuated normal-conducting RF cavities in high external magnetic fields. Other accomplishments included: (1) RF breakdown experiments to test the effects of SF6 dopant in H2 and He gases with Sn, Al, and Cu electrodes were carried out in an 805 MHz cavity and compared to calculations and computer simulations. The heavy corrosion caused by the SF6 components led to the suggestion that a small admixture of oxygen, instead of SF6, to the hydrogen would allow the same advantages without the corrosion in a practical muon beam line. (2) A 1.3 GHz RF test cell capable of operating both at high pressure and in vacuum with replaceable electrodes was designed, built, and power tested in preparation for testing the frequency and geometry effects of RF breakdown at Argonne National Lab. At the time of this report this cavity is still waiting for the 1.3 GHz klystron to be available at the Wakefield Test Facility. (3) Under a contract with Los Alamos National Lab, an 805 MHz RF test cavity, known as the All-Seasons Cavity (ASC), was designed and built by Muons, Inc. to operate either at high pressure or under vacuum. The LANL project to use the (ASC) was cancelled and the testing of the cavity has been continued under the grant reported on here using the Fermilab Mucool Test Area (MTA). The ASC is a true pillbox cavity that has performed under vacuum in high external magnetic field better than any other and has demonstrated that the high required accelerating gradients for many muon cooling beam line designs are possible. (4) Under ongoing support from the Muon Acceleration Program, microscopic surface analysis and computer simulations have been used to develop models of RF breakdown that apply to both pressurized and vacuum cavities. The understanding of RF breakdown will lead to better designs of RF cavities for many applications. An increase in the operating accelerating gradient, improved reliability and shorter conditioning times can generate very significant cost savings in many accelerator projects.

43 PARTICLE ACCELERATORS↗

High energy x-ray phase contrast CT using glancing-angle grating interferometers

Purpose: The authors present initial progress toward a clinically compatible x-ray phase contrast CT system, using glancing-angle x-ray grating interferometry to provide high contrast soft tissue images at estimated by computer simulation dose levels comparable to conventional absorption based CT. Methods: DPC-CT scans of a joint phantom and of soft tissues were performed in order to answer several important questions from a clinical setup point of view. A comparison between high and low fringe visibility systems is presented. The standard phase stepping method was compared with sliding window interlaced scanning. Using estimated dose values obtained with a Monte-Carlo code the authors studied the dependence of the phase image contrast on exposure time and dose. Results: Using a glancing angle interferometer at high x-ray energy (∼45 keV mean value) in combination with a conventional x-ray tube the authors achieved fringe visibility values of nearly 50%, never reported before. High fringe visibility is shown to be an indispensable parameter for a potential clinical scanner. Sliding window interlaced scanning proved to have higher SNRs and CNRs in a region of interest and to also be a crucial part of a low dose CT system. DPC-CT images of a soft tissue phantom at exposures in the range typical for absorption based CT of musculoskeletal extremities were obtained. Assuming a human knee as the CT target, good soft tissue phase contrast could be obtained at an estimated absorbed dose level around 8 mGy, similar to conventional CT. Conclusions: DPC-CT with glancing-angle interferometers provides improved soft tissue contrast over absorption CT even at clinically compatible dose levels (estimated by a Monte-Carlo computer simulation). Further steps in image processing, data reconstruction, and spectral matching could make the technique fully clinically compatible. Nevertheless, due to its increased scan time and complexity the technique should be thought of not as replacing, but as complimentary to conventional CT, to be used in specific applications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗