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At least 73 records · Page 4

Analysis of Monte Carlo accelerated iterative methods for sparse linear systems: Analysis of Monte Carlo accelerated iterative methods for sparse linear systems

Here, we consider hybrid deterministic-stochastic iterative algorithms for the solution of large, sparse linear systems. Starting from a convergent splitting of the coefficient matrix, we analyze various types of Monte Carlo acceleration schemes applied to the original preconditioned Richardson (stationary) iteration. We expect that these methods will have considerable potential for resiliency to faults when implemented on massively parallel machines. We also establish sufficient conditions for the convergence of the hybrid schemes, and we investigate different types of preconditioners including sparse approximate inverses. Numerical experiments on linear systems arising from the discretization of partial differential equations are presented.

97 MATHEMATICS AND COMPUTING↗

Kinetic-j : A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

We present the Kinetic-j code, a computational kernel for evaluating the linearized Vlasov equation withapplication to calculating the kinetic plasma response (current) to an applied time harmonic wave electricfield. This code addresses the need for a configuration space evaluation of the plasma current to enablekinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourierspectral methods. We benchmark the kernel via comparison with the standard k-space forms of the hotplasma conductivity tensor.

Green, David L.↗

Linear permeability evolution of expanding conduits due to feedback between flow and fast phase change: Linear Permeability Evolution of Conduit

Conduits are ubiquitous and critical pathways for many fluids relevant for geophysical processes such as magma, water, and gases. Predicting flow through conduits is challenging when the conduit geometry coevolves with the flow. We theoretically show that the permeability (k) of a conduit whose walls are eroding due to fast phase change increases linearly with time because of a self-reinforcing mechanism. This simple result is surprising given complex feedbacks between flow, transport, and phase change. The theory is congruent with previous experimental observations of fracture dissolution in calcite. Supporting computational fracture dissolution experiments showed that k only slightly increases until the dissolution front reaches the narrowest conduit constriction, after which the linear evolution of k manifests. Finally, the theory holds across multiple scales and a broad range of Peclet and Damkohler numbers and thus advances the prediction of dynamic mass fluxes through expanding conduits in various geologic and environmental settings

58 GEOSCIENCES↗

GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations

LS3DF, namely linear scaling three-dimensional fragment method, is an efficient linear scaling ab initio total energy electronic structure calculation code based on a divide-and-conquer strategy. In this paper, we present our GPU implementation of the LS3DF code. Our test results show that the GPU code can calculate systems with about ten thousand atoms fully self-consistently in the order of 10 min using thousands of computing nodes. This makes the electronic structure calculations of 10,000-atom nanosystems routine work. This speed is 4.5–6 times faster than the CPU calculations using the same number of nodes on the Titan machine in the Oak Ridge leadership computing facility (OLCF). Such speedup is achieved by (a) carefully re-designing of the computationally heavy kernels; (b) redesign of the communication pattern for heterogeneous supercomputers.

Computer Science↗

X-Ray Radar Imaging Technique Using a 2 Mev Linear Electron Accelerator

X-ray radar imaging, patented in 2013 by James R. Wood, combines standard radar techniques with the penetration power of x-rays to image scenes. Our project strives to demonstrate the technique using a 2 MeV linear electron accelerator (linac) to generate the S-band–modulated x-ray signals. X-ray detectors such as photodiodes and scintillators are used to detect the signals in backscatter and transmission detection schemes. The S-band microstructure is imposed on the variable-width electron pulse, and this modulation carries over to the bremsstrahlung x-rays after the electron beam is incident upon a copper-tungsten alloy target. Using phase/distance calculations and a low-jitter timing system, we expect to detect different object distances by comparing the measured phase differences. The experimental setup, which meets strict jitter requirements, and preliminary experimental results are presented.

43 PARTICLE ACCELERATORS↗

Linear and non-linear flow mode in Pb–Pb collisions at s NN = 2.76 TeV

The second and the third order anisotropic flow, V 2 and V 3 , are mostly determined by the corresponding initial spatial anisotropy coefficients, and , in the initial density distribution. In addition to their dependence on the same order initial anisotropy coefficient, higher order anisotropic flow, V n (n > 3), can also have a significant contribution from lower order initial anisotropy coefficients, which leads to mode-coupling effects. In this Letter we investigate the linear and non-linear modes in higher order anisotropic flow V n for n = 4, 5, 6 with the ALICE detector at the Large Hadron Collider. The measurements are done for particles in the pseudorapidity range |η| < 0.8 and the transverse momentum range 0.2 < p T < 5.0 GeV/c as a function of collision centrality. The results are compared with theoretical calculations and provide important constraints on the initial conditions, including initial spatial geometry and its fluctuations, as well as the ratio of the shear viscosity to entropy density of the produced system.

74 ATOMIC AND MOLECULAR PHYSICS↗

Catalytic Synthesis of “Super” Linear Alkenyl Arenes Using an Easily Prepared Rh(I) Catalyst

Linear alkyl benzenes (LAB) are global chemicals that are produced by acid-catalyzed reactions that involve the formation of carbocationic intermediates. One outcome of the acid-based catalysis is that 1-phenylalkanes cannot be produced. Furthermore, it is reported that [Rh(μ-OAc)(η 2 -C 2 H 4 ) 2 ] 2 catalyzes production of 1-phenyl substituted alkene products via oxidative arene vinylation. Since C=C bonds can be used for many chemical transformations, the formation of unsaturated products provides a potential advantage over current processes that produce saturated alkyl arenes. Conditions that provide up to a 10:1 linear:branched ratio have been achieved, and catalytic turnovers >1470 have been demonstrated. In addition, electron-deficient and electron-rich substituted benzenes are successfully alkylated. The Rh catalysis offers ortho : meta : para selectivity that is opposite to traditional acid-based catalysis

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anisotropic positive linear and sub-linear magnetoresistivity in the cubic type-II Dirac metal Pd 3 In 7

We report a transport study on Pd 3 In 7 which displays multiple Dirac type-II nodes in its electronic dispersion. Pd 3 In 7 is characterized by low residual resistivities and high mobilities, which are consistent with Dirac-like quasiparticles. For an applied magnetic field (μ 0 H) having a non-zero component along the electrical current, we find a large, positive, and linear in μ 0 H longitudinal magnetoresistivity (LMR). The sign of the LMR and its linear dependence deviate from the behavior reported for the chiral-anomaly-driven LMR in Weyl semimetals. Interestingly, such anomalous LMR is consistent with predictions for the role of the anomaly in type-II Weyl semimetals. In contrast, the transverse or conventional magnetoresistivity (CMR for electric fields E⊥μ 0 H) is large and positive, increasing by 10 3 –10 4 % as a function of μ 0 H while following an anomalous, angle-dependent power law ρ xx α (μ 0 H) n with n(θ) ≤ 1. The order of magnitude of the CMR, and its anomalous power-law, is explained in terms of uncompensated electron and hole-like Fermi surfaces characterized by anisotropic carrier scattering likely due to the lack of Lorentz invariance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Kinetic simulations and reduced modeling of longitudinal sideband instabilities in non-linear electron plasma waves

Kinetic Vlasov simulations of one-dimensional finite amplitude Electron Plasma Waves are performed in a multi-wavelength long system. A systematic study of the most unstable linear sideband mode, in particular its growth rate γ and quasi- wavenumber δk, is carried out by scanning the amplitude and wavenumber of the initial wave. Simulation results are successfully compared against numerical and analytical solutions to the reduced model by Kruer et al. [Phys. Rev. Lett. 23, 838 (1969)] for the Trapped Particle Instability (TPI). A model recently suggested by Dodin et al. [Phys. Rev. Lett. 110, 215006 (2013)], which in addition to the TPI accounts for the so-called Negative Mass Instability because of a more detailed representation of the trapped particle dynamics, is also studied and compared with simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Experimental tests of linear and nonlinear three-dimensional equilibrium models in DIII-D

DIII-D experiments using new detailed magnetic diagnostics show that linear, ideal magnetohydrodynamics (MHD) theory quantitatively describes the magnetic structure (as measured externally) of three-dimensional (3D) equilibria resulting from applied fields with toroidal mode number n = 1, while a nonlinear solution to ideal MHD force balance, using the VMEC code, requires the inclusion of n ≥ 1 to achieve similar agreement. These tests are carried out near ITER baseline parameters, providing a validated basis on which to exploit 3D fields for plasma control development. Scans of the applied poloidal spectrum and edge safety factor confirm that low-pressure, n = 1 non-axisymmetric tokamak equilibria are determined by a single, dominant, stable eigenmode. However, at higher beta, near the ideal kink mode stability limit in the absence of a conducting wall, the qualitative features of the 3D structure are observed to vary in a way that is not captured by ideal MHD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Linear chirped slope profile for spatial calibration in slope measuring deflectometry

Slope measuring deflectometry is commonly used by the X-ray optics community to measure the long-spatial-wavelength surface figure error of optical components dedicated to guide and focus X-rays under grazing incidence condition at synchrotron and free electron laser beamlines. The best performing instruments of this kind are capable of absolute accuracy on the level of 30-50 nrad. However, the exact bandwidth of the measurements, determined at the higher spatial frequencies by the instrument’s spatial resolution, or more generally by the instrument’s modulation transfer function (MTF) is hard to determine. An MTF calibration method based on application of a test surface with a one-dimensional (1D) chirped height profile of constant amplitude was suggested in the past. In this work, we propose a new approach to designing the test surfaces with a 2D-chirped topography, specially optimized for MTF characterization of slope measuring instruments. The design of the developed MTF test samples based on the proposed linear chirped slope profiles (LCSPs) is free of the major drawback of the 1D chirped height profiles, where in the slope domain, the amplitude strongly increases with the local spatial frequency of the profile. We provide the details of fabrication of the LCSP samples. The results of first application of the developed test samples to measure the spatial resolution of the BESSY-NOM at different experimental arrangements are also presented and discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Resource-efficient generation of linear cluster states by linear optics with postselection

Here we report on theoretical research in photonic cluster-state computing. Finding optimal schemes of generating non-classical photonic states is of critical importance for this field as physically implementable photon-photon entangling operations are currently limited to measurement-assisted stochastic transformations. A critical parameter for assessing the efficiency of such transformations is the success probability of a desired measurement outcome. At present there are several experimental groups that are capable of generating multi-photon cluster states carrying more than eight qubits. Separate photonic qubits or small clusters can be fused into a single cluster state by a probabilistic optical CZ gate conditioned on simultaneous detection of all photons with 1/9 success probability for each gate. This design mechanically follows the original theoretical scheme of cluster state generation proposed more than a decade ago by Raussendorf, Browne, and Briegel. The optimality of the destructive CZ gate in application to linear optical cluster state generation has not been analyzed previously. Our results reveal that this method is far from the optimal one. Employing numerical optimization we have identified that the maximal success probability of fusing n unentangled dual-rail optical qubits into a linear cluster state is equal to 1/2 n-1 ; an m-tuple of photonic Bell pair states, commonly generated via spontaneous parametric down-conversion, can be fused into a single cluster with the maximal success probability of 1/4 m-1 .

97 MATHEMATICS AND COMPUTING↗

Linear and non-linear perturbations in dark energy models

In this work we discuss observational aspects of three time-dependent parameterisations of the dark energy equation of state w ( z ). In order to determine the dynamics associated with these models, we calculate their background evolution and perturbations in a scalar field representation. After performing a complete treatment of linear perturbations, we also show that the non-linear contribution of the selected w ( z ) parameterisations to the matter power spectra is almost the same for all scales, with no significant difference from the predictions of the standard ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗

Impact of Linearity and Write Noise of Analog Resistive Memory Devices in a Neural Algorithm Accelerator

Resistive memory (ReRAM) shows promise for use as an analog synapse element in energy-efficient neural network algorithm accelerators. A particularly important application is the training of neural networks, as this is the most computationally-intensive procedure in using a neural algorithm. However, training a network with analog ReRAM synapses can significantly reduce the accuracy at the algorithm level. In order to assess this degradation, analog properties of ReRAM devices were measured and hand-written digit recognition accuracy was modeled for the training using backpropagation. Bipolar filamentary devices utilizing three material systems were measured and compared: one oxygen vacancy system, Ta-TaO x , and two conducting metallization systems, Cu-SiO 2 , and Ag/chalcogenide. Analog properties and conductance ranges of the devices are optimized by measuring the response to varying voltage pulse characteristics. Key analog device properties which degrade the accuracy are update linearity and write noise. Write noise may improve as a function of device manufacturing maturity, but write nonlinearity appears relatively consistent among the different device material systems and is found to be the most significant factor affecting accuracy. As a result, this suggests that new materials and/or fundamentally different resistive switching mechanisms may be required to improve device linearity and achieve higher algorithm training accuracy.

97 MATHEMATICS AND COMPUTING↗

Linear Approximation Line Pack Model for Integrated Electricity and Natural Gas Systems OPF

With the increasing installation of renewable energy electricity generation capacity, the penetration of natural gas fired generation is also substantailly increasing in power systems due to their fast response capability to mitigate system variability and uncertainty. The dependencies between the electricity system and the natural gas system are becoming more important to maintain the reliability of both systems. In integrated electricity and natural gas systems (IEGSs) operations, the nonlinearity of the natural gas system brings challenges to the system operators. In this paper, the IEGSs optimal power flow (OPF) model is proposed that includes the line pack of the gas system via linear approximation. The simulation results demonstrate that the proposed model can obtain optimal solutions efficiently that are comparable in accuracy as the nonlinear line pack model.

24 POWER TRANSMISSION AND DISTRIBUTION↗