Weak and strong coupling theories for polarizable colloids and nanoparticles

A theory is presented which allows us to accurately calculate the density profile of monovalent and multivalent counterions in suspensions of polarizable colloids or nanoparticles. In the case of monovalent ions, we derive a weak-coupling theory that explicitly accounts for the ion-image interaction, leading to a modified Poisson-Boltzmann equation. For suspensions with multivalent counterions, a strong-coupling theory is used to calculate the density profile near the colloidal surface and a Poisson-Boltzmann equation with a renormalized boundary condition to account for the counterion distribution in the far field. All the results are compared with the Monte?Carlo simulations, showing an excellent agreement between the theory and the simulations.     

Character Quotients for Coprime Acting Groups

Let the finite group A be acting on a finite group G with (|A|,|G|)=1. Let be the semidirect product of A and G. Let be acharacter of irreducible after restriction to G. In a previouspaper by Brian Hartley and the author, we proved that the restrictionof to S belongs to the set C(S) obtained by running over all that arise in this manner, by assuming, in addition, that Gis a product of extraspecial groups. This was proved in general,assuming only some condition on the Green functions of groupsof Lie type that is not as yet fully verified. In the presentpaper, we define the map Q(): SC by Q()(s)=|C_G(s)|/(s). We provethat Q()C(S) under the same hypotheses. In particular, the characterquotient Q() is an ordinary character.     

Versatile anisotropic mesh adaptation methodology applied to pure quantity of interest error estimator. Steady,laminar incompressible flow

We introduce a new flexible mesh adaptation approach to efficiently compute a quantity of interest by the finite element method. Efficiently, we mean that the method provides an evaluation of that quantity up to a predetermined accuracy at a lower computational cost than other classical methods. The central pillar of the method is our scalar error estimator based on sensitivities of the quantity of interest to the residuals. These sensitivities result from the computation of a continuous adjoint problem. The mesh adaptation strategy can drive anisotropic mesh adaptation from a general scalar error contribution of each element. The full potential of our error estimator is then reached. The proposed method is validated by evaluating the lift, the drag, and the hydraulic losses on a 2D benchmark case: the flow around a cylinder at a Reynolds number of 20.     

Measuring the transition between nonhyperbolic and hyperbolic regimes in open Hamiltonian systems

Nonlinear Dynamics - We show that the presence of KAM islands in nonhyperbolic chaotic scattering has deep implications on the unpredictability of open Hamiltonian systems. When the energy of the...     

LR-selHSQMBC: Simultaneous Detection and Quantification of Very Weak Long-Range Heteronuclear NMR Correlations

The optimum detection and accurate measurement of longer-range (⁴J and higher) heteronuclear NMR correlations is described. The magnitude and/or the sign of a wide range of large and small long-range couplings can be simultaneously determined for protonated and non-protonated ¹³C and ¹⁵N nuclei using the LR-selHSQMBC experiment.     

Operando Isotopic Exchange in Solid Oxide Fuel Cells: Oxygen-Transport Dependency on Applied Potential

The oxygen isotopic exchange technique is a powerful tool to investigate the oxygen transport kinetics in an oxide solid. In a solid oxide fuel cell, isotopic surface exchange and diffusion coefficients are classically determined by using the Isotopic Exchange Depth Profiling method followed by ex situ SIMS characterizations. Despite its relevance, the utilization of in situ or operando techniques to measure the isotopic exchange under an electrical bias remains marginal. We developed here a set-up which enables operando monitoring of oxygen exchange in SOFC type cells under polarization. The system has been used for studying the oxygen mobility dependency upon polarization on a symmetrical Pt/YSZ/Pt cell (YSZ: yttria-stabilized zirconia). Homomolecular and heterolytic exchange reactions were undertaken to investigate the oxygen activation step and discriminate the limiting step among the sequence of elementary steps which constitute the oxygen transport process in the SOFC system. Oxygen ions incorporation into the dense ionic conductor was identified to be the rate determining step, and its first order rate constant dependency on applied potential was established.     

Design for estimation of the drift parameter in fractional diffusion systems

We consider a controlled linear differential equation which is partially observed with an additive fractional noise. In this setting, we study the asymptotic (for large observation time) design problem of the input and give an efficient estimator of the unknown signal drift parameter. The optimal estimation input is deduced. The consistency, asymptotic normality and convergence of the moments of the MLE are established.