Distance-two labelings of digraphs

For positive integers $j\ge k$, an $L(j,k)$-labeling of a digraph $D$ is a function $f$ from $V(D)$ into the set of nonnegative integers such that $|f(x)-f(y)|\ge j$ if $x$ is adjacent to $y$ in $D$ and $|f(x)-f(y)|\ge k$ if $x$ is of distant two to $y$ in $D$. Elements of the image of $f$ are called labels. The $L(j,k)$-labeling problem is to determine the $\vec{\lambda}_{j,k}$-number $\vec{\lambda}_{j,k}(D)$ of a digraph $D$, which is the minimum of the maximum label used in an $L(j,k)$-labeling of $D$. This paper studies $\vec{\lambda}_{j,k}$- numbers of digraphs. In particular, we determine $\vec{\lambda}_{j,k}$- numbers of digraphs whose longest dipath is of length at most 2, and $\vec{\lambda}_{j,k}$-numbers of ditrees having dipaths of length 4. We also give bounds for $\vec{\lambda}_{j,k}$-numbers of bipartite digraphs whose longest dipath is of length 3. Finally, we present a linear-time algorithm for determining $\vec{\lambda}_{j,1}$-numbers of ditrees whose longest dipath is of length 3.Comment: 12 pages; presented in SIAM Coference on Discrete Mathematics, June 13-16, 2004, Loews Vanderbilt Plaza Hotel, Nashville, TN, US

Microscopic Restoration of Proton-Neutron Mixed Symmetry in Weakly Collective Nuclei

Starting from the microscopic low-momentum nucleon-nucleon interaction V{low k}, we present the first systematic shell model study of magnetic moments and magnetic dipole transition strengths of the basic low-energy one-quadrupole phonon excitations in nearly-spherical nuclei. Studying in particular the even-even N=52 isotones from 92Zr to 100Cd, we find the predicted evolution of the predominantly proton-neutron non-symmetric state reveals a restoration of collective proton-neutron mixed-symmetry structure near mid-shell. This provides the first explanation for the existence of pronounced collective mixed-symmetry structures in weakly-collective nuclei.Comment: 5 Pages, 3 figure

Successive Coordinate Search and Component-by-Component Construction of Rank-1 Lattice Rules

The (fast) component-by-component (CBC) algorithm is an efficient tool for the construction of generating vectors for quasi-Monte Carlo rank-1 lattice rules in weighted reproducing kernel Hilbert spaces. We consider product weights, which assigns a weight to each dimension. These weights encode the effect a certain variable (or a group of variables by the product of the individual weights) has. Smaller weights indicate less importance. Kuo (2003) proved that the CBC algorithm achieves the optimal rate of convergence in the respective function spaces, but this does not imply the algorithm will find the generating vector with the smallest worst-case error. In fact it does not. We investigate a generalization of the component-by-component construction that allows for a general successive coordinate search (SCS), based on an initial generating vector, and with the aim of getting closer to the smallest worst-case error. The proposed method admits the same type of worst-case error bounds as the CBC algorithm, independent of the choice of the initial vector. Under the same summability conditions on the weights as in [Kuo,2003] the error bound of the algorithm can be made independent of the dimension $d$ and we achieve the same optimal order of convergence for the function spaces from [Kuo,2003]. Moreover, a fast version of our method, based on the fast CBC algorithm by Nuyens and Cools, is available, reducing the computational cost of the algorithm to $O(d \, n \log(n))$ operations, where $n$ denotes the number of function evaluations. Numerical experiments seeded by a Korobov-type generating vector show that the new SCS algorithm will find better choices than the CBC algorithm and the effect is better when the weights decay slower.Comment: 13 pages, 1 figure, MCQMC2016 conference (Stanford

Shell model description of the 14C dating beta decay with Brown-Rho-scaled NN interactions

We present shell model calculations for the beta-decay of the 14C ground state to the 14N ground state, treating the states of the A=14 multiplet as two 0p holes in an 16O core. We employ low-momentum nucleon-nucleon (NN) interactions derived from the realistic Bonn-B potential and find that the Gamow-Teller matrix element is too large to describe the known lifetime. By using a modified version of this potential that incorporates the effects of Brown-Rho scaling medium modifications, we find that the GT matrix element vanishes for a nuclear density around 85% that of nuclear matter. We find that the splitting between the (J,T)=(1+,0) and (J,T)=(0+,1) states in 14N is improved using the medium-modified Bonn-B potential and that the transition strengths from excited states of 14C to the 14N ground state are compatible with recent experiments.Comment: 4 pages, 5 figures Updated to include referee comments/suggestion

Hot new directions for quasi-Monte Carlo research in step with applications

This article provides an overview of some interfaces between the theory of quasi-Monte Carlo (QMC) methods and applications. We summarize three QMC theoretical settings: first order QMC methods in the unit cube $[0,1]^s$ and in $\mathbb{R}^s$, and higher order QMC methods in the unit cube. One important feature is that their error bounds can be independent of the dimension $s$ under appropriate conditions on the function spaces. Another important feature is that good parameters for these QMC methods can be obtained by fast efficient algorithms even when $s$ is large. We outline three different applications and explain how they can tap into the different QMC theory. We also discuss three cost saving strategies that can be combined with QMC in these applications. Many of these recent QMC theory and methods are developed not in isolation, but in close connection with applications

Rigorous treatment of electrostatics for spatially varying dielectrics based on energy minimization

A novel energy minimization formulation of electrostatics that allows computation of the electrostatic energy and forces to any desired accuracy in a system with arbitrary dielectric properties is presented. An integral equation for the scalar charge density is derived from an energy functional of the polarization vector field. This energy functional represents the true energy of the system even in non-equilibrium states. Arbitrary accuracy is achieved by solving the integral equation for the charge density via a series expansion in terms of the equation's kernel, which depends only on the geometry of the dielectrics. The streamlined formalism operates with volume charge distributions only, not resorting to introducing surface charges by hand. Therefore, it can be applied to any spatial variation of the dielectric susceptibility, which is of particular importance in applications to biomolecular systems. The simplicity of application of the formalism to real problems is shown with analytical and numerical examples.Comment: 27 pages, 5 figure

Ginzburg-Landau theory of crystalline anisotropy for bcc-liquid interfaces

The weak anisotropy of the interfacial free-energy $\gamma$ is a crucial parameter influencing dendritic crystal growth morphologies in systems with atomically rough solid-liquid interfaces. The physical origin and quantitative prediction of this anisotropy are investigated for body-centered-cubic (bcc) forming systems using a Ginzburg-Landau theory where the order parameters are the amplitudes of density waves corresponding to principal reciprocal lattice vectors. We find that this theory predicts the correct sign, $\gamma_{100}>\gamma_{110}$, and magnitude, $(\gamma_{100}-\gamma_{110}) / (\gamma_{100}+\gamma_{110})\approx 1$, of this anisotropy in good agreement with the results of MD simulations for Fe. The results show that the directional dependence of the rate of spatial decay of solid density waves into the liquid, imposed by the crystal structure, is a main determinant of anisotropy. This directional dependence is validated by MD computations of density wave profiles for different reciprocal lattice vectors for $\{110\}$ crystal faces. Our results are contrasted with the prediction of the reverse ordering $\gamma_{100}<\gamma_{110}$ from an earlier formulation of Ginzburg-Landau theory [Shih \emph{et al.}, Phys. Rev. A {\bf 35}, 2611 (1987)].Comment: 9 pages, 5 figure

Experimental investigation of the deformation behavior of aluminium-bicrystals

This Max-Planck project report discusses the deformation behaviour of an aluminium-bicrystal with a symmetrical tilt boundary and an initial misorientation of 8.7 Degrees. The specimen was compressed in a channel die to 30% engineering thickness reduction at room temperature. Afterwards the crystal orientations were determined by electron backscatter diffraction (EBSD) and the plastic strain distribution was measured by photogrametry. It was found that the two abutting crystals close to the grain boundary rotate towards each other, whereas the grain interiors increase their mutual misorientation during plastic loading