Performance study of the multiwavelet discontinuous Galerkin approach for solving the Green‐Naghdi equations

This paper presents a multiresolution discontinuous Galerkin scheme for the adaptive solution of Boussinesq‐type equations. The model combines multiwavelet‐based grid adaptation with a discontinuous Galerkin (DG) solver based on the system of fully nonlinear and weakly dispersive Green‐Naghdi (GN) equations. The key feature of the adaptation procedure is to conduct a multiresolution analysis using multiwavelets on a hierarchy of nested grids to improve the efficiency of the reference DG scheme on a uniform grid by computing on a locally refined adapted grid. This way the local resolution level will be determined by manipulating multiwavelet coefficients controlled by a single user‐defined threshold value. The proposed adaptive multiwavelet discontinuous Galerkin solver for GN equations (MWDG‐GN) is assessed using several benchmark problems related to wave propagation and transformation in nearshore areas. The numerical results demonstrate that the proposed scheme retains the accuracy of the reference scheme, while significantly reducing the computational cost

B\"{a}cklund transformations for the KP and mKP hierarchies with self-consistent sources

Using gauge transformations for the corresponding generating pseudo-differential operators $L^n$ in terms of eigenfunctions and adjoint eigenfunctions, we construct several types of auto-B\"{a}cklund transformations for the KP hierarchy with self-consistent sources (KPHSCS) and mKP hierarchy with self-consistent sources (mKPHSCS) respectively. The B\"{a}cklund transformations from the KPHSCS to mKPHSCS are also constructed in this way.Comment: 22 pages. to appear in J.Phys.

B\"{a}cklund transformations for the constrained dispersionless hierarchies and dispersionless hierarchies with self-consistent sources

The B\"{a}cklund transformations between the constrained dispersionless KP hierarchy (cdKPH) and the constrained dispersionless mKP hieararchy (cdmKPH) and between the dispersionless KP hieararchy with self-consistent sources (dKPHSCS) and the dispersionless mKP hieararchy with self-consistent sources (dmKPHSCS) are constructed. The auto-B\"{a}cklund transformations for the cdmKPH and for the dmKPHSCS are also formulated.Comment: 11 page

Prescreening and efficiency in the evaluation of integrals over ab initio effective core potentials

New, efficient schemes for the prescreening and evaluation of integrals over effective core potentials (ECPs) are presented. The screening is shown to give a rigorous, and close bound, to within on average 10% of the true value. A systematic rescaling procedure is given to reduce this error to approximately 0.1%. This is then used to devise a numerically stable recursive integration routine that avoids expensive quadratures. Tests with CCSD(T) calculations on small silver clusters demonstrate that the new schemes show no loss in accuracy, while reducing both the power and prefactor of the scaling with system size. In particular, speedups of roughly 40 times can be achieved compared to quadrature-based methods

Fluctuating epidemics on adaptive networks

A model for epidemics on an adaptive network is considered. Nodes follow an SIRS (susceptible-infective-recovered-susceptible) pattern. Connections are rewired to break links from non-infected nodes to infected nodes and are reformed to connect to other non-infected nodes, as the nodes that are not infected try to avoid the infection. Monte Carlo simulation and numerical solution of a mean field model are employed. The introduction of rewiring affects both the network structure and the epidemic dynamics. Degree distributions are altered, and the average distance from a node to the nearest infective increases. The rewiring leads to regions of bistability where either an endemic or a disease-free steady state can exist. Fluctuations around the endemic state and the lifetime of the endemic state are considered. The fluctuations are found to exhibit power law behavior.Comment: Submitted to Phys Rev

Ice nucleation and overseeding of ice in volcanic clouds

Water is the dominant component of volcanic gas emissions, and water phase transformations, including the formation of ice, can be significant in the dynamics of volcanic clouds. The effectiveness of volcanic ash particles as ice-forming nuclei (IN) is poorly understood and the sparse data that exist for volcanic ash IN have been interpreted in the context of meteorological, rather than volcanic clouds. In this study, single-particle freezing experiments were carried out to investigate the effect of ash particle composition and surface area on water drop freezing temperature. Measured freezing temperatures show only weak correlations with ash IN composition and surface area. Our measurements, together with a review of previous volcanic ash IN measurements, suggest that fine-ash particles (equivalent diameters between approximately 1 and 1000 μm) from the majority of volcanoes will exhibit an onset of freezing between ∼250–260 K. In the context of explosive eruptions where super-micron particles are plentiful, this result implies that volcanic clouds are IN-rich relative to meteorological clouds, which typically are IN-limited, and therefore should exhibit distinct microphysics. We can expect that such “overseeded” volcanic clouds will exhibit enhanced ice crystal concentrations and smaller average ice crystal size, relative to dynamically similar meteorological clouds, and that glaciation will tend to occur over a relatively narrow altitude range

Modeling Extragalactic Foregrounds and Secondaries for Unbiased Estimation of Cosmological Parameters From Primary CMB Anisotropy

Using the latest physical modeling and constrained by the most recent data, we develop a phenomenological parameterized model of the contributions to intensity and polarization maps at millimeter wavelengths from external galaxies and Sunyaev-Zeldovich effects. We find such modeling to be necessary for estimation of cosmological parameters from Planck data. For example, ignoring the clustering of the infrared background would result in a bias in n_s of 7 sigma. We show that the simultaneous marginalization over a full foreground model can eliminate such biases, while increasing the statistical uncertainty in cosmological parameters by less than 20%. The small increases in uncertainty can be significantly reduced with the inclusion of higher-resolution ground-based data. The multi-frequency analysis we employ involves modeling 46 total power spectra and marginalization over 17 foreground parameters. We show that we can also reduce the data to a best estimate of the CMB power spectra, and just two principal components (with constrained amplitudes) describing residual foreground contamination.Comment: 17 pages, 7 figures, submitted to Ap

Over or Under: Hydride Attack at the Metal versus the Coordinated Nitrosyl Ligand in Ferric Nitrosyl Porphyrins.

Hydride attack at a ferric heme–NO to give an Fe–HNO intermediate is a key step in the global N--‐cycle. We demonstrate differential reactivity when six--‐ and five--‐coordinate ferric heme--‐NO models react with hydride. Although Fe–HNO formation is thermodynamically favored from this reaction, Fe–H formation is kinetically favored for the 5C case

Knots in Charged Polymers

The interplay of topological constraints and Coulomb interactions in static and dynamic properties of charged polymers is investigated by numerical simulations and scaling arguments. In the absence of screening, the long-range interaction localizes irreducible topological constraints into tight molecular knots, while composite constraints are factored and separated. Even when the forces are screened, tight knots may survive as local (or even global) equilibria, as long as the overall rigidity of the polymer is dominated by the Coulomb interactions. As entanglements involving tight knots are not easy to eliminate, their presence greatly influences the relaxation times of the system. In particular, we find that tight knots in open polymers are removed by diffusion along the chain, rather than by opening up. The knot diffusion coefficient actually decreases with its charge density, and for highly charged polymers the knot's position appears frozen.Comment: Revtex4, 9 pages, 9 eps figure