Boundary element simulations of spheres settling in circular,square and triangular conduits

Numerical simulations of a spherical particle sedimenting in circular, triangular and square conduits containing a viscous, inertialess, Newtonian fluid were investigated using the Boundary Element Method (BEM). Settling velocities and pressure drops for spheres falling along the centre-lines of the conduits were computed for a definitive range of sphere sizes. The numerical simulations for the settling velocities showed good agreement with existing experimental data. The most accurate analytic solution for a sphere settling along the axis of a circular conduit produced results which were almost indistinguishable from the present BEM calculations. For a sphere falling along the centre-line of a square conduit, the BEM calculations for small spheres agreed well with analytic results. No analytic results for a sphere falling along the axis of a triangular conduit were available for comparison. Extrapolation of the BEM predictions for the pressure drops, to infinitely small spheres, showed remarkable agreement with analytic results. For the circular conduit, the sphere's settling velocity and angular velocity were computed as a function of drop position for small, medium and large spheres. Excellent agreement with a reflection solution was achieved for the small sphere. In addition, end effects were investigated for centre-line drops and compared where possible with available experimental data and analytic results.Los Alamos National Laboratory, Los Alamos, New Mexico, USA.     

A decision theory for partially consonant belief functions

Partially consonant belief functions (pcb), studied by Walley, are the only class of Dempster-Shafer belief functions that are consistent with the likelihood principle of statistics. Structurally, the set of foci of a pcb is partitioned into non-overlapping groups and within each group, foci are nested. The pcb class includes both probability function and Zadeh’s possibility function as special cases. This paper studies decision making under uncertainty described by pcb. We prove a representation theorem for preference relation over pcb lotteries to satisfy an axiomatic system that is similar in spirit to von Neumann and Morgenstern’s axioms of the linear utility theory. The closed-form expression of utility of a pcb lottery is a combination of linear utility for probabilistic lottery and two-component (binary) utility for possibilistic lottery. In our model, the uncertainty information, risk attitude and ambiguity attitude are separately represented. A tractable technique to extract ambiguity attitude from a decision maker behavior is also discussed.     

From symmetry breaking to symmetry swapping: is Kasha's rule violated in multibranched phenyleneethynylenes?

The phenomenon of excited-state symmetry breaking is often observed in multipolar molecular systems, significantly affecting their photophysical and charge separation behavior. As a result of this phenomenon, the electronic excitation is partially localized in one of the molecular branches. However, the intrinsic structural and electronic factors that regulate excited-state symmetry breaking in multibranched systems have hardly been investigated. Herein, we explore these aspects by adopting a joint experimental and theoretical investigation for a class of phenyleneethynylenes, one of the most widely used molecular building blocks for optoelectronic applications. The large Stokes shifts observed for highly symmetric phenyleneethynylenes are explained by the presence of low-lying dark states, as also established by two-photon absorption measurements and TDDFT calculations. In spite of the presence of low-lying dark states, these systems show an intense fluorescence in striking contrast to Kasha''s rule. This intriguing behavior is explained in terms of a novel phenomenon, dubbed “symmetry swapping” that describes the inversion of the energy order of excited states, i.e., the swapping of excited states occurring as a consequence of symmetry breaking. Thus, symmetry swapping explains quite naturally the observation of an intense fluorescence emission in molecular systems whose lowest vertical excited state is a dark state. In short, symmetry swapping is observed in highly symmetric molecules having multiple degenerate or quasi-degenerate excited states that are prone to symmetry breaking.

Highly symmetric multibranched phenyleneethynylenes exhibit intense fluorescence despite the presence of low-lying dark states. The inversion of the energy order of excited states is explained in terms of a novel phenomenon dubbed “symmetry swapping”.     

An approximate solution for nonlinear backward parabolic equations

We consider the backward parabolic equation

     

Reachable Set Bounding for Linear Discrete-Time Systems with Delays and Bounded Disturbances

This paper addresses the problem of reachable set bounding for linear discrete-time systems that are subject to state delay and bounded disturbances. Based on the Lyapunov method, a sufficient condition for the existence of ellipsoid-based bounds of reachable sets of a linear uncertain discrete system is derived in terms of matrix inequalities. Here, a new idea is to minimize the projection distances of the ellipsoids on each axis with different exponential convergence rates, instead of minimization of their radius with a single exponential rate. A smaller bound can thus be obtained from the intersection of these ellipsoids. A numerical example is given to illustrate the effectiveness of the proposed approach.     

An exact algorithm for graph partitioning

An exact algorithm is presented for solving edge weighted graph partitioning problems. The algorithm is based on a branch and bound method applied to a continuous quadratic programming formulation of the problem. Lower bounds are obtained by decomposing the objective function into convex and concave parts and replacing the concave part by an affine underestimate. It is shown that the best affine underestimate can be expressed in terms of the center and the radius of the smallest sphere containing the feasible set. The concave term is obtained either by a constant diagonal shift associated with the smallest eigenvalue of the objective function Hessian, or by a diagonal shift obtained by solving a semidefinite programming problem. Numerical results show that the proposed algorithm is competitive with state-of-the-art graph partitioning codes.     

Regularity Index of S + 2 Fat Points not on a Linear (S − 1)-Space

We will give a formula to compute the regularity index of s + 2 fat points not lying on a linear (s ? 1)-space in ? ⁿ , s ≤ n (Theorem 3.4). Our result generalizes a formula to compute the regularity index of fat points in general position in ? ⁿ ([3 Catalisano , M. V. , Trung , N. V. , Valla , G. ( 1993 ). A sharp bound for the regularity index of fat points in general position . Proc. Amer. Math. Soc. 118 : 717 – 724 .[Crossref], [Web of Science ®] , [Google Scholar]], Corollary 8). Our result also shows that the Segre bound is attained by s + 2 points not lying on a linear (s ? 1)-space.     

Convex underestimators of polynomials

Convex underestimators of a polynomial on a box. Given a non convex polynomial ${f\in \mathbb{R}[{\rm x}]}$ and a box ${{\rm B}\subset \mathbb{R}^n}$ , we construct a sequence of convex polynomials ${(f_{dk})\subset \mathbb{R}[{\rm x}]}$ , which converges in a strong sense to the “best” (convex and degree-d) polynomial underestimator ${f^{*}_{d}}$ of f. Indeed, ${f^{*}_{d}}$ minimizes the L ₁-norm ${\Vert f-g\Vert_1}$ on B, over all convex degree-d polynomial underestimators g of f. On a sample of problems with non convex f, we then compare the lower bounds obtained by minimizing the convex underestimator of f computed as above and computed via the popular α BB method and some of its other refinements. In most of all examples we obtain significantly better results even with the smallest value of k.