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AbstractAbstract

[en] Method of construction of wave functions approximating eigenfunctions of the L

^{^2}operator is proposed for high angular momentum states of few-electron atoms. Basis functions are explicitly correlated Gaussian lobes, projected onto irreducible representations of finite point groups. Variational calculations have been carried out for the lowest states of lithium atom, with quantum number L in the range from 1 to 8. Nonrelativistic energies accurate to several dozens of nanohartree have been obtained. For 2^{2}P, 3^{2}D, and 4^{2}F states they agree well with the reference results. Transition frequencies have been computed and compared with available experimental dataPrimary Subject

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(c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)

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Arnett, W. D.; Meakin, C.; Viallet, M., E-mail: darnett@as.arizona.edu, E-mail: cmeakin@as.arizona.edu, E-mail: mviallet@mpa-garching.mpg.de

AbstractAbstract

[en] Three-dimensional (3D), time dependent numerical simulations of flow of matter in stars, now have sufficient resolution to be fully turbulent. The late stages of the evolution of massive stars, leading up to core collapse to a neutron star (or black hole), and often to supernova explosion and nucleosynthesis, are strongly convective because of vigorous neutrino cooling and nuclear heating. Unlike models based on current stellar evolutionary practice, these simulations show a chaotic dynamics characteristic of highly turbulent flow. Theoretical analysis of this flow, both in the Reynolds-averaged Navier-Stokes (RANS) framework and by simple dynamic models, show an encouraging consistency with the numerical results. It may now be possible to develop physically realistic and robust procedures for convection and mixing which (unlike 3D numerical simulation) may be applied throughout the long life times of stars. In addition, a new picture of the presupernova stages is emerging which is more dynamic and interesting (i.e., predictive of new and newly observed phenomena) than our previous one

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(c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)

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AbstractAbstract

[en] Liouville's theorem holds for Hamiltonian systems with complete Hamiltonian fields which possess a complete involutive system of first integrals; such systems are called Liouville-integrable. In this paper integrable systems with incomplete Hamiltonian fields are investigated. It is shown that Liouville's theorem remains valid in the case of a single incomplete field, while if the number of incomplete fields is greater, a certain analogue of the theorem holds. An integrable system on the algebra sl(3) is taken as an example. Bibliography: 11 titles

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Available from http://dx.doi.org/10.1070/SM2014v205n09ABEH004417; Country of input: International Atomic Energy Agency (IAEA)

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Sbornik. Mathematics; ISSN 1064-5616; ; v. 205(9); p. 1264-1278

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AbstractAbstract

[en] The Hodge conjecture on algebraic cycles is proved for a smooth projective model X of a fibre product X

_{1}×_{C}X_{2}of nonisotrivial 1-parameter families of K3 surfaces (possibly with degeneracies) X_{k}→C (k=1,2) over a smooth projective curve C under the assumption that, for generic geometric fibres X_{1s}and X_{2s}, the ring End_{Hg(X1s)}NS_{Q}(X_{1s})^{⊥}is an imaginary quadratic field, rankNS(X_{1s})≠18, and End_{Hg(X2s)}NS_{Q}(X_{2s})^{⊥}is a totally real field or else rankNS(X_{1s})< rankNS(X_{2s}). Bibliography: 10 titlesPrimary Subject

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Available from http://dx.doi.org/10.1070/SM2014v205n02ABEH004374; Country of input: International Atomic Energy Agency (IAEA)

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Sbornik. Mathematics; ISSN 1064-5616; ; v. 205(2); p. 269-276

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AbstractAbstract

[en] The method of Galerkin approximations is employed to prove the existence of a strong global (in time) solution of a doubly nonlinear parabolic equation in an unbounded domain. The second integral identity is established for Galerkin approximations, and passing to the limit in it an estimate for the decay rate of the norm of the solution from below is obtained. The estimates characterizing the decay rate of the solution as x→∞ obtained here are used to derive an upper bound for the decay rate of the solution with respect to time; the resulting estimate is pretty close to the lower one. Bibliography: 17 titles

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Available from http://dx.doi.org/10.1070/SM2013v204n09ABEH004338; Country of input: International Atomic Energy Agency (IAEA)

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Sbornik. Mathematics; ISSN 1064-5616; ; v. 204(9); p. 1239-1263

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AbstractAbstract

[en] The paper is concerned with a nonlinear system of partial differential equations with parameters. This system describes the two-layer quasi-solenoidal Lorenz model for a baroclinic atmosphere on a rotating two-dimensional sphere. The right-hand side of the system is perturbed by white noise. Sufficient conditions on the parameters and the right-hand side are obtained for the existence of a stationary measure. Bibliography: 25 titles

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Available from http://dx.doi.org/10.1070/SM2013v204n09ABEH004341; Country of input: International Atomic Energy Agency (IAEA)

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Sbornik. Mathematics; ISSN 1064-5616; ; v. 204(9); p. 1307-1331

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AbstractAbstract

[en] The question of the existence of polynomial solutions to the Monge-Ampère equation z

_{xx}z_{yy}−z_{xy}^{2}=f(x,y) is considered in the case when f(x,y) is a polynomial. It is proved that if f is a polynomial of the second degree, which is positive for all values of its arguments and has a positive squared part, then no polynomial solution exists. On the other hand, a solution which is not polynomial but is analytic in the whole of the x, y-plane is produced. Necessary and sufficient conditions for the existence of polynomial solutions of degree up to 4 are found and methods for the construction of such solutions are indicated. An approximation theorem is proved. Bibliography: 10 titlesPrimary Subject

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Available from http://dx.doi.org/10.1070/SM2014v205n11ABEH004428; Country of input: International Atomic Energy Agency (IAEA)

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Sbornik. Mathematics; ISSN 1064-5616; ; v. 205(11); p. 1529-1563

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De Haro, Jaume; Amorós, Jaume, E-mail: jaime.haro@upc.edu, E-mail: jaume.amoros@upc.edu

AbstractAbstract

[en] The CMB map provided by the Planck project constrains the value of the ratio of tensor-to-scalar perturbations, namely r, to be smaller than 0.11 (95 % CL). This bound rules out the simplest models of inflation. However, recent data from BICEP2 is in strong tension with this constrain, as it finds a value r=0.20

^{+0.07}_{-0.05}with 0r= disfavored at 7.0 σ, which allows these simplest inflationary models to survive. The remarkable fact is that, even though the BICEP2 experiment was conceived to search for evidence of inflation, its experimental data matches correctly theoretical results coming from the matter bounce scenario (the alternative model to the inflationary paradigm). More precisely, most bouncing cosmologies do not pass Planck's constrains due to the smallness of the value of the tensor/scalar ratio r≤ 0.11, but with new BICEP2 data some of them fit well with experimental data. This is the case with the matter bounce scenario in the teleparallel version of Loop Quantum CosmologyPrimary Subject

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Available from http://dx.doi.org/10.1088/1475-7516/2014/08/025; Country of input: International Atomic Energy Agency (IAEA)

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Journal of Cosmology and Astroparticle Physics; ISSN 1475-7516; ; v. 2014(08); p. 025

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Aktulga, Hasan Metin; Afibuzzaman, Md.; Williams, Samuel; Buluc, Aydin; Shao, Meiyue

Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Funding organisation: USDOE Office of Science - SC, Nuclear Physics - NP (SC-26) (United States); USDOE Office of Science - SC, Advanced Scientific Computing Research (ASCR) (SC-21) (United States)

Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Funding organisation: USDOE Office of Science - SC, Nuclear Physics - NP (SC-26) (United States); USDOE Office of Science - SC, Advanced Scientific Computing Research (ASCR) (SC-21) (United States)

AbstractAbstract

[en] As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. Here, we consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We then present techniques to significantly improve the SpMM and the transpose operation SpMM T by using the compressed sparse blocks (CSB) format. We achieve 3-4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor.

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OSTIID--1379875; AC02-05CH11231; SC0008485; FG02-87ER40371; Available from http://www.osti.gov/pages/biblio/1379875; DOE Accepted Manuscript full text, or the publishers Best Available Version will be available free of charge after the embargo period

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IEEE Transactions on Parallel and Distributed Systems; ISSN 1045-9219; ; v. 28(6); p. 1550-1563

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Perfetti, Christopher M.; Rearden, Bradley T.; Marshall, William J.

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Funding organisation: USDOE (United States)

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Funding organisation: USDOE (United States)

AbstractAbstract

[en] Here, this study focuses on understanding the phenomena in Monte Carlo simulations known as undersampling, in which Monte Carlo tally estimates may not encounter a sufficient number of particles during each generation to obtain unbiased tally estimates. Steady-state Monte Carlo simulations were performed using the KENO Monte Carlo tools within the SCALE code system for models of several burnup credit applications with varying degrees of spatial and isotopic complexities, and the incidence and impact of undersampling on eigenvalue and flux estimates were examined. Using an inadequate number of particle histories in each generation was found to produce a maximum bias of ~100 pcm in eigenvalue estimates and biases that exceeded 10% in fuel pin flux tally estimates. Having quantified the potential magnitude of undersampling biases in eigenvalue and flux tally estimates in these systems, this study then investigated whether Markov Chain Monte Carlo convergence metrics could be integrated into Monte Carlo simulations to predict the onset and magnitude of undersampling biases. Five potential metrics for identifying undersampling biases were implemented in the SCALE code system and evaluated for their ability to predict undersampling biases by comparing the test metric scores with the observed undersampling biases. Finally, of the five convergence metrics that were investigated, three (the Heidelberger-Welch relative half-width, the Gelman-Rubin

^{R̂_c}diagnostic, and tally entropy) showed the potential to accurately predict the behavior of undersampling biases in the responses examined.Primary Subject

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OSTIID--1376296; AC05-00OR22725; Available from http://www.osti.gov/pages/biblio/1376296; DOE Accepted Manuscript full text, or the publishers Best Available Version will be available free of charge after the embargo period

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Nuclear Science and Engineering; ISSN 0029-5639; ; v. 185(1); p. 139-158

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