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At least 1,405 records · Page 78

A novel second-order non-linear optical coordination polymer with three-fold interpenetrated CdSO{sub 4}-type network constructed by carboxylate–sulfonate ligands and strontium ions

A novel strontium carboxylate–sulfonate coordination polymer, [Sr(HSIP)(H{sub 2}O){sub 3}]{sub n·}nH{sub 2}O (1) (NaH{sub 2}SIP=5-sulfoisophthalic monosodium salt) has been synthesized by hydrothermal reaction. It was characterized by X-ray single crystal diffraction, infrared spectroscopy, elemental and thermogravimetric analysis. Each strontium atom is eight-coordinate with a distorted bicapped trigonal prismatic arrangement. The whole HSIP{sup 2−} ligand acts as a η{sup 5}μ{sup 4} bridge to generate three-fold interpenetrated CdSO{sub 4}-type network structure, which is constructed from the left- and right-handed helixes paralleled to each other bridged by the HSIP{sup 2−} ligands. The luminescence spectrum indicates an emission maximum at 459 nm. Compound 1 shows a second harmonic generation (SHG) response that is 4 times that of KH{sub 2}PO{sub 4}. - Graphical abstract: The whole HSIP{sup 2−} ligands act as η{sup 5}μ{sup 4} bridges with strontium ions, and the strontium ion is eight-coordinated, showing a distorted bicapped trigonal prism geometry. - Highlights: • A novel coordination polymer with a CdSO{sub 4}-type network structure was synthesized. • It shows a second harmonic generation response that is 4 times that of KH{sub 2}PO{sub 4}. • It is constructed from the helixes paralleled to each other.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unobtrusive Software and System Health Management with R2U2 on a Parallel MIMD Coprocessor

Dynamic monitoring of software and system health of a complex cyber-physical system requires observers that continuously monitor variables of the embedded software in order to detect anomalies and reason about root causes. There exists a variety of techniques for code instrumentation, but instrumentation might change runtime behavior and could require costly software re-certification. In this paper, we present R2U2E, a novel realization of our real-time, Realizable, Responsive, and Unobtrusive Unit (R2U2). The R2U2E observers are executed in parallel on a dedicated 16-core EPIPHANY co-processor, thereby avoiding additional computational overhead to the system under observation. A DMA-based shared memory access architecture allows R2U2E to operate without any code instrumentation or program interference.

Schumann, Johann↗

GPU-based relative fuzzy connectedness image segmentation

Purpose:Recently, clinical radiological research and practice are becoming increasingly quantitative. Further, images continue to increase in size and volume. For quantitative radiology to become practical, it is crucial that image segmentation algorithms and their implementations are rapid and yield practical run time on very large data sets. The purpose of this paper is to present a parallel version of an algorithm that belongs to the family of fuzzy connectedness (FC) algorithms, to achieve an interactive speed for segmenting large medical image data sets. Methods: The most common FC segmentations, optimizing an Script-Small-L {sub {infinity}}-based energy, are known as relative fuzzy connectedness (RFC) and iterative relative fuzzy connectedness (IRFC). Both RFC and IRFC objects (of which IRFC contains RFC) can be found via linear time algorithms, linear with respect to the image size. The new algorithm, P-ORFC (for parallel optimal RFC), which is implemented by using NVIDIA's Compute Unified Device Architecture (CUDA) platform, considerably improves the computational speed of the above mentioned CPU based IRFC algorithm. Results: Experiments based on four data sets of small, medium, large, and super data size, achieved speedup factors of 32.8 Multiplication-Sign , 22.9 Multiplication-Sign , 20.9 Multiplication-Sign , and 17.5 Multiplication-Sign , correspondingly, on the NVIDIA Tesla C1060 platform. Although the output of P-ORFC need not precisely match that of IRFC output, it is very close to it and, as the authors prove, always lies between the RFC and IRFC objects. Conclusions: A parallel version of a top-of-the-line algorithm in the family of FC has been developed on the NVIDIA GPUs. An interactive speed of segmentation has been achieved, even for the largest medical image data set. Such GPU implementations may play a crucial role in automatic anatomy recognition in clinical radiology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A parallel-pipelined architecture for a multi carrier demodulator

Analog devices have been used for processing the information on board the satellites. Presently, digital devices are being used because they are economical and flexible as compared to their analog counterparts. Several schemes of digital transmission can be used depending on the data rate requirement of the user. An economical scheme of transmission for small earth stations uses single channel per carrier/frequency division multiple access (SCPC/FDMA) on the uplink and time division multiplexing (TDM) on the downlink. This is a typical communication service offered to low data rate users in commercial mass market. These channels usually pertain to either voice or data transmission. An efficient digital demodulator architecture is provided for a large number of law data rate users. A demodulator primarily consists of carrier, clock, and data recovery modules. This design uses principles of parallel processing, pipelining, and time sharing schemes to process large numbers of voice or data channels. It maintains the optimum throughput which is derived from the designed architecture and from the use of high speed components. The design is optimized for reduced power and area requirements. This is essential for satellite applications. The design is also flexible in processing a group of a varying number of channels. The algorithms that are used are verified by the use of a computer aided software engineering (CASE) tool called the Block Oriented System Simulator. The data flow, control circuitry, and interface of the hardware design is simulated in C language. Also, a multiprocessor approach is provided to map, model, and simulate the demodulation algorithms mainly from a speed view point. A hypercude based architecture implementation is provided for such a scheme of operation. The hypercube structure and the demodulation models on hypercubes are simulated in Ada.

Kwatra, S. C.↗

Impact of Blockchain Delay on Grid-Tied Solar Inverter Performance

This paper investigates the impact of the delay resulting from a blockchain, a promising security measure, for a hierarchical control system of inverters connected to the grid. The blockchain communication network is designed at the secondary control layer for resilience against cyberattacks. To represent the latency in the communication channel, a model is developed based on the complexity of the blockchain framework. Taking this model into account, this work evaluates the plant’s performance subject to communication delays, introduced by the blockchain, among the hierarchical control agents. In addition, this article considers an optimal model-based control strategy that performs the system’s internal control loop. The work shows that the blockchain’s delay size influences the convergence of the power supplied by the inverter to the reference at the point of common coupling. In the results section, real-time simulations on OPAL-RT are performed to test the resilience of two parallel inverters with increasing blockchain complexity.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Simulating coupled surface–subsurface flows with ParFlow v3.5.0: capabilities, applications, and ongoing development of an open-source, massively parallel, integrated hydrologic model

Surface flow and subsurface flow constitute a naturally linked hydrologic continuum that has not traditionally been simulated in an integrated fashion. Recognizing the interactions between these systems has encouraged the development of integrated hydrologic models (IHMs) capable of treating surface and subsurface systems as a single integrated resource. IHMs are dynamically evolving with improvements in technology, and the extent of their current capabilities are often only known to the developers and not general users. This article provides an overview of the core functionality, capability, applications, and ongoing development of one open-source IHM, ParFlow. ParFlow is a parallel, integrated, hydrologic model that simulates surface and subsurface flows. ParFlow solves the Richards equation for three-dimensional variably saturated groundwater flow and the two-dimensional kinematic wave approximation of the shallow water equations for overland flow. The model employs a conservative centered finite-difference scheme and a conservative finite-volume method for subsurface flow and transport, respectively. ParFlow uses multigrid-preconditioned Krylov and Newton–Krylov methods to solve the linear and nonlinear systems within each time step of the flow simulations. The code has demonstrated very efficient parallel solution capabilities. ParFlow has been coupled to geochemical reaction, land surface (e.g., the Common Land Model), and atmospheric models to study the interactions among the subsurface, land surface, and atmosphere systems across different spatial scales. This overview focuses on the current capabilities of the code, the core simulation engine, and the primary couplings of the subsurface model to other codes, taking a high-level perspective.

58 GEOSCIENCES↗

Analysis of permeability change in dissolving rough fractures using depth-averaged flow and reactive transport models

Many geophysical problems and engineering applications involve fluid flow through evolving faults and fractures. These situations are typical in CO 2 injection scenarios where supercritical CO 2 or CO 2 –saturated fluids are able to dissolve the solid matrix. Dissolution or precipitation within a fracture could lead to self-reinforcing or self-limiting behavior due to feedbacks from changes in permeability (k). There is limited predictive understanding of this phenomenon. Here, we investigated the case of fracture dissolution using a two-dimensional depth-averaged reactive transport model. The model simulated an acidic fluid dissolving a three-dimensional rough fracture. We observed different dissolution patterns across a wide range of geometric properties and different Peclet and Damkohler numbers (960 cases total). Despite this variation, a persistent linear increase in k with time (t) roughly manifested once the dissolution front advanced through the fracture. The time rate of change of k (k/t) is roughly constant for all simulations. The modeled rate is consistent with a theoretical value based on the parallel plates model and with experimentally derived values. Finally, the results confirm the common presence of linear time-dependence of fracture k due to self-reinforcement.

58 GEOSCIENCES↗

Influence of the Convection Electric Field Models on Predicted Plasmapause Positions During Magnetic Storms

In the present work, we determine how three well documented models of the magnetospheric electric field, and two different mechanisms proposed for the formation of the plasmapause influence the radial distance, the shape and the evolution of the plasmapause during the geomagnetic storms of 28 October 2001 and of 17 April 2002. The convection electric field models considered are: Mcllwain's E51) electric field model, Volland-Stern's model and Weimer's statistical model compiled from low-Earth orbit satellite data. The mechanisms for the formation of the plasmapause to be tested are: (i) the MHD theory where the plasmapause should correspond to the last-closed- equipotential (LCE) or last-closed-streamline (LCS), if the E-field distribution is stationary or time-dependent respectively; (ii) the interchange mechanism where the plasmapause corresponds to streamlines tangent to a Zero-Parallel-Force surface where the field-aligned plasma distribution becomes convectively unstable during enhancements of the E-field intensity in the nightside local time sector. The results of the different time dependent simulations are compared with concomitant EUV observations when available. The plasmatails or plumes observed after both selected geomagnetic storms are predicted in all simulations and for all E-field models. However, their shapes are quite different depending on the E-field models and the mechanisms that are used. Despite the partial success of the simulations to reproduce plumes during magnetic storms and substorms, there remains a long way to go before the detailed structures observed in the EUV observations during periods of geomagnetic activity can be accounted for very precisely by the existing E-field models. Furthermore, it cannot be excluded that the mechanisms currently identified to explain the formation of "Carpenter's knee" during substorm events, will', have to be revised or complemented in the cases of geomagnetic storms.

Pierrard, V.↗

T-FSM: A Scalable Distributed Task-Based System for Frequent Subgraph Pattern Mining from a Big Graph

Finding frequent subgraph patterns in a big graph is an important problem with many applications such as classifying chemical compounds and building indexes to speed up graph queries. Since this problem is NP-hard, some recent parallel and distributed systems have been developed to accelerate the mining. However, they often have a huge memory cost, very long running time, suboptimal load balancing, poor scale-out capability, and possibly inaccurate results. In this article, we propose an efficient system called T-FSM for parallel mining of frequent subgraph patterns in a big graph. T-FSM supports a new anti-monotonic frequentness measure called Fraction-Score, which is more accurate than the widely used MNI measure. The execution engine of T-FSM supports both intra-machine parallelism and inter-machine parallelism. For intra-machine parallelism, T-FSM adopts a novel task-based execution model to ensure high multithreading concurrency, bounded memory consumption, and effective load balancing. For inter-machine parallelism, T-FSM ensures good scale-out performance with a lightweight pattern rebalancing approach that reduces workload skewness of pattern evaluations among machines. To avoid recomputing the contexts for migrated patterns, we design a novel context cache table to support concurrent and asynchronous requesting and caching of remote context data, which can timely evict and garbage collect used pattern contexts that are no longer needed to keep memory consumption bounded. Extensive experiments show that T-FSM is orders of magnitude faster than existing state-of-the-art parallel systems (more than 10×, 51×, 131×, 55× speedup over ScaleMine, DistGraph, Pangolin and Peregrine, respectively) and distributed systems (more than 42× and 88× over ScaleMine and DistGraph, respectively) for frequent subgraph pattern mining, and it scales out satisfactorily to 512 CPU cores on the Polaris supercomputer at Argonne National Laboratory.

97 MATHEMATICS AND COMPUTING↗

Chromatin Changes in Phytochrome Interacting Factor-Regulated Genes Parallel Their Rapid Transcriptional Response to Light

As sessile organisms, plants must adapt to a changing environment, sensing variations in resource availability and modifying their development in response. Light is one of the most important resources for plants, and its perception by sensory photoreceptors (e.g., phytochromes) and subsequent transduction into long-term transcriptional reprogramming have been well characterized. Chromatin changes have been shown to be involved in photomorphogenesis. However, the initial short-term transcriptional changes produced by light and what factors enable these rapid changes are not well studied. Here, we define rapidly light-responsive, Phytochrome Interacting Factor (PIF) direct-target genes (LRP-DTGs). We found that a majority of these genes also show rapid changes in Histone 3 Lysine-9 acetylation (H3K9ac) in response to the light signal. Detailed time-course analysis of transcript and chromatin changes showed that, for light-repressed genes, H3K9 deacetylation parallels light-triggered transcriptional repression, while for light-induced genes, H3K9 acetylation appeared to somewhat precede light-activated transcript accumulation. However, direct, real-time imaging of transcript elongation in the nucleus revealed that, in fact, transcriptional induction actually parallels H3K9 acetylation. Collectively, the data raise the possibility that light-induced transcriptional and chromatin-remodeling processes are mechanistically intertwined. Histone modifying proteins involved in long term light responses do not seem to have a role in this fast response, indicating that different factors might act at different stages of the light response. This work not only advances our understanding of plant responses to light, but also unveils a system in which rapid chromatin changes in reaction to an external signal can be studied under natural conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Finite element formulation of fluctuating hydrodynamics for fluids filled with rigid particles using boundary fitted meshes

In this paper, we present a finite element implementation of fluctuating hydrodynamics with a moving boundary fitted mesh for treating the suspended particles. The thermal fluctuations are incorporated into the continuum equations using the Landau and Lifshitz approach [1]. The proposed implementation fulfills the fluctuation–dissipation theorem exactly at the discrete level. Since we restrict the equations to the creeping flow case, this takes the form of a relation between the diffusion coefficient matrix and friction matrix both at the particle and nodal level of the finite elements. Brownian motion of arbitrarily shaped particles in complex confinements can be considered within the present formulation. A multi-step time integration scheme is developed to correctly capture the drift term required in the stochastic differential equation (SDE) describing the evolution of the positions of the particles. The proposed approach is validated by simulating the Brownian motion of a sphere between two parallel plates and the motion of a spherical particle in a cylindrical cavity. The time integration algorithm and the fluctuating hydrodynamics implementation are then applied to study the diffusion and the equilibrium probability distribution of a confined circle under an external harmonic potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Alignment of the CLAS12 central hybrid tracker with a Kalman Filter

Several factors can contribute to the difficulty of aligning the sensors of tracking detectors, including a large number of modules, multiple types of detector technologies, and non-linear strip patterns on the sensors. All three of these factors apply to the CLAS12 CVT, which is a hybrid detector consisting of planar silicon sensors with non-parallel strips, and cylindrical micromegas sensors with longitudinal and arc-shaped strips located within a 5 T superconducting solenoid. To align this detector, we used the Kalman Alignment Algorithm, which accounts for correlations between the alignment parameters without requiring the time-consuming inversion of large matrices. This is the first time that this algorithm has been adapted for use with hybrid technologies, non-parallel strips, and curved sensors. We present the results for the first alignment of the CLAS12 CVT using straight tracks from cosmic rays and from a target with the magnetic field turned off. After running this procedure, we achieved alignment at the level of 10 µm, and the widths of the residual spectra were greatly reduced. These results attest to the flexibility of this algorithm and its applicability to future use in the CLAS12 CVT and other hybrid or curved trackers, such as those proposed for the future Electron-Ion Collider.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An organization of a digital subsystem for generating spacecraft timing and control signals

A modulo-M counter (of clock pulses) is decomposed into parallel modulo-m sub i counters, where each m sub i is a prime power divisor of M. The modulo-p sub i counters are feedback shift registers which cycle through p sub i distinct states. By this organization, every possible nontrivial data frame subperiod and delayed subperiod may be derived. The number of clock pulses required to bring every modulo-p sub i counter to a respective designated state or count is determined by the Chinese remainder theorem. This corresponds to the solution of simultaneous congruences over relatively prime moduli.

Perlman, M.↗

Putting time into proof outlines

A logic for reasoning about timing properties of concurrent programs is presented. The logic is based on Hoare-style proof outlines and can handle maximal parallelism as well as certain resource-constrained execution environments. The correctness proof for a mutual exclusion protocol that uses execution timings in a subtle way illustrates the logic in action. A soundness proof using structural operational semantics is outlined in the appendix.

Schneider, Fred B.↗

A fast algorithm for parallel computation of multibody dynamics on MIMD parallel architectures

In this paper the implementation of a parallel O(LogN) algorithm for computation of rigid multibody dynamics on a Hypercube MIMD parallel architecture is presented. To our knowledge, this is the first algorithm that achieves the time lower bound of O(LogN) by using an optimal number of O(N) processors. However, in addition to its theoretical significance, the algorithm is also highly efficient for practical implementation on commercially available MIMD parallel architectures due to its highly coarse grain size and simple communication and synchronization requirements. We present a multilevel parallel computation strategy for implementation of the algorithm on a Hypercube. This strategy allows the exploitation of parallelism at several computational levels as well as maximum overlapping of computation and communication to increase the performance of parallel computation.

Fijany, Amir↗

Compact pulse transformer for 85 kV, 3.5 μs electron gun anode of compact X-ray cargo scanner

Design of compact and reliable 85kV HV pulse transformer for electron gun anode pulsing is a major concern, when size and space are constraints. This paper describes design procedures and optimization of various parameters like HV insulation, step up ratio, rise time and flat top of Pulse transformer, operating with input from a 10 stage PFN of 50 ohm impedance and charged at 14kV. The transformer should deliver rated output voltage of negative polarity 85kV, 3 to 4μs pulse width, less than 2μs rise time and flat top within 10% across an electron gun load, equivalent to a parallel combination of 10kΩ and 200pF load at a PRF of 250 Hz. Since the Cargo Scanner has to operate on movable carrier, this transformer is designed to operate even in the inclined positions. This transformer has given voltage step up, rise time and flat top of 13.75, 1.5 μs and 4.5% respectively for a 10kΩ and 200pF load at 250Hz PRF and also demonstrated operation in 90{sup °} tilted transformer positions. An effort has been put to achieve maintenance free Pulse transformer by providing effective sealing in the transformer tank to stop breathing action. Also, special flexing walls of transformer tank accommodate for small changes in volume of oil due to temperature variations. (author)

43 PARTICLE ACCELERATORS↗

Radiation from Relativistic Jets in Turbulent Magnetic Fields

Using our new 3-D relativistic electromagnetic particle (REMP) code parallelized with MPI, we have investigated long-term particle acceleration associated with an relativistic electron-positron jet propagating in an unmagnetized ambient electron-positron plasma. The simulations have been performed using a much longer simulation system than our previous simulations in order to investigate the full nonlinear stage of the Weibel instability and its particle acceleration mechanism. Cold jet electrons are thermalized and ambient electrons are accelerated in the resulting shocks. The acceleration of ambient electrons leads to a maximum ambient electron density three times larger than the original value. Behind the bow shock in the jet shock strong electromagnetic fields are generated. These fields may lead to the afterglow emission. We have calculated the time evolution of the spectrum from two electrons propagating in a uniform parallel magnetic field to verify the technique.

Nishikawa, K.-I.↗

Performance Characteristics of the Multi-Zone NAS Parallel Benchmarks

We describe a new suite of computational benchmarks that models applications featuring multiple levels of parallelism. Such parallelism is often available in realistic flow computations on systems of grids, but had not previously been captured in bench-marks. The new suite, named NPB Multi-Zone, is extended from the NAS Parallel Benchmarks suite, and involves solving the application benchmarks LU, BT and SP on collections of loosely coupled discretization meshes. The solutions on the meshes are updated independently, but after each time step they exchange boundary value information. This strategy provides relatively easily exploitable coarse-grain parallelism between meshes. Three reference implementations are available: one serial, one hybrid using the Message Passing Interface (MPI) and OpenMP, and another hybrid using a shared memory multi-level programming model (SMP+OpenMP). We examine the effectiveness of hybrid parallelization paradigms in these implementations on three different parallel computers. We also use an empirical formula to investigate the performance characteristics of the multi-zone benchmarks.

Jin, Haoqiang↗