Quadratically constrained least squares and quadratic problems

Summary We consider the following problem: Compute a vectorx such that Ax–b₂=min, subject to the constraint x₂=. A new approach to this problem based on Gauss quadrature is given. The method is especially well suited when the dimensions ofA are large and the matrix is sparse.It is also possible to extend this technique to a constrained quadratic form: For a symmetric matrixA we consider the minimization ofx ^T A x–2b ^T x subject to the constraint x₂=.Some numerical examples are given.This work was in part supported by the National Science Foundation under Grant DCR-8412314 and by the National Institute of Standards and Technology under Grant 60NANB9D0908.     

Factorial regular representation of groups in complete graphs

A necessary and sufficient condition for the group of isomorphisms involved in a factorization of a complete graph into isomorphic factors is established.     

On bounds for the range of ordered variates II

Letx ₁, ,x _n be real numbers with ₁ ⁿ x _j =0, |x ₁ ||x ₂ ||x _n |, and ₁ ⁿ f(|x _i |)=A>0, wheref is a continuous, strictly increasing function on [0, ) withf(0)=0. Using a generalized Chebycheff inequality (or directly) it is easy to see that an upper bound for |x _m | isf ^–1 (A/(n–m+1)). If (n–m+1) is even, this bound is best possible, but not otherwise. Best upper bounds are obtained in case (n–m+1) is odd provided either (i)f is strictly convex on [0, ), or (ii)f is strictly concave on [0, ). Explicit best bounds are given as examples of (i) and (ii), namely the casesf(x)=x ^p forp>1 and 0<p<1 respectively.     

Spectroscopy of light nuclei with skyrme-type interactions

Deformed Hartree-Fock calculations are performed for some light nuclei in a large configuration space consisting of first four major shells. The interaction employed is the modified Skyrme interaction in which the deformed density is replaced by the band averaged scalar density that makes the Hamiltonian rotationally invariant rendering the spectroscopic calculations feasible. It is shown that the introduction of density dependence spreads out the energy spectra and that the Skyrme variant SIV which has a weak density dependence gives best overall agreement for energy spectra and the available data for the electromagnetic properties of the nuclei studied. It is found that the maximum contribution to the energy of any state in the low lying spectrum comes from thes-state attractive ands-state repulsive parts of the Skyrme interaction. It is also shown that when two-body density dependent version of Skyrme interaction is used, the Koopmans theorem no longer holds.     

Lie-admissible structures on Witt type algebras

In this paper we study Lie-admissible structures on Witt type algebras. Witt type algebras are Γ$\Gamma$-graded Lie algebras (where Γ$\Gamma$ is an abelian group) which generalize the Witt algebra. We give all third power-associative and flexible Lie-admissible structures on these algebras. In particular we generalize some results on the Witt algebra. After describing the second scalar cohomology group of Witt type algebras, we investigate third power-associative and flexible Lie-admissible structures on the central extension of some Witt type algebras. Finally we study a left-symmetric structure induced by a symplectic form for some Witt type algebras.     

Mössbauer studies of mixed-valence spin-crossover iron complexes with a hexadentate tripod ligand

The spin-crossover behaviors of mixed-valence iron compounds [Fe^IIH₃L][Fe^IIIL](NO₃)₂ (1) and [Fe^IIH₃L^Me][Fe^IIIL^Me](NO₃)₂ (2) have been investigated by ⁵⁷Fe Mössbauer spectroscopy, where H₃L is a hexadentate N₆ tripod ligand containing three imidazole groups and H₃L^Me is its 2-methylimidazole derivative. Deconvolution analyses of the Mössbauer spectra revealed that a two-step SCO (LS Fe^II–LS Fe^III→HS Fe^II–LS Fe^III→HS Fe^II–HS Fe^III) proceeds in each compound on elevating the temperature. Compound 2 exhibited lower spin-transition temperatures than 1. “Frozen-in effect” was observed below 120 and 50 K for 1 and 2, respectively.     

Some constructions of biharmonic maps and Chen’s conjecture on biharmonic hypersurfaces

We give several construction methods and use them to produce many examples of proper biharmonic maps including biharmonic tori of any dimension in Euclidean spheres (Theorem 2.2, Corollary 2.3, Corollary 2.4 and Corollary 2.6), biharmonic maps between spheres (Theorem 2.9) and into spheres (Theorem 2.10) via orthogonal multiplications and eigenmaps. We also study biharmonic graphs of maps, derive the equation for a function whose graph is a biharmonic hypersurface in a Euclidean space, and give an equivalent formulation of Chen’s conjecture on biharmonic hypersurfaces by using the biharmonic graph equation (Theorem 4.1) which paves a way for the analytic study of the conjecture.     

Effect of Precipitation Temperature and Number of Iron Atoms per Molecule on the Structure of Hydrated Iron(III) Oxyhydroxide Ferritin Cores Synthesised in vitro

Hyperfine Interactions - Horse spleen apoferritin was reconstituted with varying numbers of iron atoms per protein shell at 25 and 50°C. Samples with mean particle sizes ranging from...     

A roe-average algorithm for a granular-gas model with non-conservative terms

A Roe-average algorithm has been derived for a granular-gas model, proposed by Goldshtein and Shapiro [Goldshtein, Shapiro, Mechanics of collisional motion of granular materials: Part 1. General hydrodynamic equations, J. Fluid Mech. 282 (1995) 75–114], which contains non-conservative terms in the Euler-like hyperbolic governing equations apart from sink terms, which arise from inelastic collision of granules and are present only in the energy equation. The non-conservative terms introduce non-isentropic effects in acoustic-wave propagation within granular media and they also contribute to the Rankine–Hugoniot relations across a discontinuity. A Roe-average algorithm, based on the same granular-gas model, was derived in the literature [V. Kamenetsky, A. Goldshtein, M. Shapiro, D. Degani, Evolution of a shock wave in a granular gas, Phys. Fluids, 12 (2000) 3036–3049] which then required the implementation of a shock-fitting technique at a discontinuity. In the present work, Roe-averaged variables have been obtained from the Rankine–Hugoniot jump relations and the non-conservative terms have been incorporated in the numerical flux formula consistent with upwind principles associated with the granular speed of sound. Results for unsteady one-dimensional granular flows, colliding with a wall, demonstrate the capability of the proposed algorithm to capture strong shocks in addition to flow features not found in molecular gases, such as a fluidized region downstream of the shock and a compacted solid-block region adjacent to the wall.