Directly Indecomposables in Semidegenerate Varieties of Connected po-Groupoids

We study varieties with a term-definable poset structure, "po-groupoids". It is known that connected posets have the "strict refinement property" (SRP). In [arXiv:0808.1860v1 [math.LO]] it is proved that semidegenerate varieties with the SRP have definable factor congruences and if the similarity type is finite, directly indecomposables are axiomatizable by a set of first-order sentences. We obtain such a set for semidegenerate varieties of connected po-groupoids and show its quantifier complexity is bounded in general

Model Independent Bound on the Unitarity Triangle from CP Violation in B-> pi+ pi- and B-> psi K_S

We derive model independent lower bounds on the CKM parameters (1-rhobar) and etabar as functions of the mixing-induced CP asymmetry S in B-> pi+ pi- and sin(2 beta) from B->psi K_S. The bounds do not depend on specific results of theoretical calculations for the penguin contribution to B-> pi+ pi-. They require only the very conservative condition that a hadronic phase, which vanishes in the heavy-quark limit, does not exceed 90 degrees in magnitude. The bounds are effective if -sin(2 beta) < S < 1. Dynamical calculations indicate that the limits on rhobar and etabar are close to their actual values.Comment: 5 pages, 2 figure

Swinging and Tumbling of Fluid Vesicles in Shear Flow

The dynamics of fluid vesicles in simple shear flow is studied using mesoscale simulations of dynamically-triangulated surfaces, as well as a theoretical approach based on two variables, a shape parameter and the inclination angle, which has no adjustable parameters. We show that between the well-known tank-treading and tumbling states, a new ``swinging'' state can appear. We predict the dynamic phase diagram as a function of the shear rate, the viscosities of the membrane and the internal fluid, and the reduced vesicle volume. Our results agree well with recent experiments.Comment: 4 pages, 4 figure

Ion Pair Potentials-of-Mean-Force in Water

Recent molecular simulation and integral equation results alkali-halide ion pair potentials-of-mean-force in water are discussed. Dielectric model calculations are implemented to check that these models produce that characteristic structure of contact and solvent-separated minima for oppositely charged ions in water under physiological thermodynamic conditions. Comparison of the dielectric model results with the most current molecular level information indicates that the dielectric model does not, however, provide an accurate description of these potentials-of-mean-force. We note that linear dielectric models correspond to modelistic implementations of second-order thermodynamic perturbation theory for the excess chemical potential of a distinguished solute molecule. Therefore, the molecular theory corresponding to the dielectric models is second-order thermodynamic perturbation theory for that excess chemical potential. The second-order, or fluctuation, term raises a technical computational issue of treatment of long-ranged interactions similar to the one which arises in calculation of the dielectric constant of the solvent. It is contended that the most important step for further development of dielectric models would be a separate assessment of the first-order perturbative term (equivalently the {\it potential at zero charge} ) which vanishes in the dielectric models but is generally nonzero. Parameterization of radii and molecular volumes should then be based of the second-order perturbative term alone. Illustrative initial calculations are presented and discussed.Comment: 37 pages and 8 figures. LA-UR-93-420

Ion Sizes and Finite-Size Corrections for Ionic-Solvation Free Energies

Free energies of ionic solvation calculated from computer simulations exhibit a strong system size dependence. We perform a finite-size analysis based on a dielectric-continuum model with periodic boundary conditions. That analysis results in an estimate of the Born ion size. Remarkably, the finite-size correction applies to systems with only eight water molecules hydrating a sodium ion and results in an estimate of the Born radius of sodium that agrees with the experimental value.Comment: 2 EPS figure