Generalized two-body self-consistent theory of random linear dielectric composites: an effective-medium approach to clustering in highly-disordered media

Effects of two-body dipolar interactions on the effective permittivity/conductivity of a binary, symmetric, random dielectric composite are investigated in a self-consistent framework. By arbitrarily splitting the singularity of the Green tensor of the electric field, we introduce an additional degree of freedom into the problem, in the form of an unknown "inner" depolarization constant. Two coupled self-consistent equations determine the latter and the permittivity in terms of the dielectric contrast and the volume fractions. One of them generalizes the usual Coherent Potential condition to many-body interactions between single-phase clusters of polarizable matter elements, while the other one determines the effective medium in which clusters are embedded. The latter is in general different from the overall permittivity. The proposed approach allows for many-body corrections to the Bruggeman-Landauer (BL) scheme to be handled in a multiple-scattering framework. Four parameters are used to adjust the degree of self-consistency and to characterize clusters in a schematic geometrical way. Given these parameters, the resulting theory is "exact" to second order in the volume fractions. For suitable parameter values, reasonable to excellent agreement is found between theory and simulations of random-resistor networks and pixelwise-disordered arrays in two and tree dimensions, over the whole range of volume fractions. Comparisons with simulation data are made using an "effective" scalar depolarization constant that constitutes a very sensitive indicator of deviations from the BL theory.Comment: 14 pages, 7 figure

The effective number of relevant parties : how voting power improves Laakso-Taagepera’s index

This paper proposes a new method to evaluate the number of rel- evant parties in an assembly. The most widespread indicator of frag- mentation used in comparative politics is the ‘Effective Number of Par- ties’(ENP), designed by Laakso and Taagepera (1979). Taking both the number of parties and their relative weights into account, the ENP is arguably a good parsimonious operationalization of the number of ‘relevant’ parties. This index however produces misleading results in single-party ma jority situations as it still indicates that more than one party is relevant in terms of government formation. We propose to modify the ENP formula by replacing proportions of seats by voting power measures. This improved index behaves more in line with Sar- tori’s definition of relevance, without requiring additional information in its construction.Voting power indices; Effective Number of Parties; Party system fragmentation; Relevance; Coalition Formation

Reconstructing the free-energy landscape of Met-enkephalin using dihedral Principal Component Analysis and Well-tempered Metadynamics

Well-Tempered Metadynamics (WTmetaD) is an efficient method to enhance the reconstruction of the free-energy surface of proteins. WTmetaD guarantees a faster convergence in the long time limit in comparison with the standard metadynamics. It still suffers however from the same limitation, i.e. the non trivial choice of pertinent collective variables (CVs). To circumvent this problem, we couple WTmetaD with a set of CVs generated from a dihedral Principal Component Analysis (dPCA) on the Ramachadran dihedral angles describing the backbone structure of the protein. The dPCA provides a generic method to extract relevant CVs built from internal coordinates. We illustrate the robustness of this method in the case of the small and very diffusive Metenkephalin pentapeptide, and highlight a criterion to limit the number of CVs necessary to biased the metadynamics simulation. The free-energy landscape (FEL) of Met-enkephalin built on CVs generated from dPCA is found rugged compared with the FEL built on CVs extracted from PCA of the Cartesian coordinates of the atoms.Comment: 17 pages, 9 figures (4 in color

Fourier-based schemes with modified Green operator for computing the electrical response of heterogeneous media with accurate local fields

A modified Green operator is proposed as an improvement of Fourier-based numerical schemes commonly used for computing the electrical or thermal response of heterogeneous media. Contrary to other methods, the number of iterations necessary to achieve convergence tends to a finite value when the contrast of properties between the phases becomes infinite. Furthermore, it is shown that the method produces much more accurate local fields inside highly-conducting and quasi-insulating phases, as well as in the vicinity of the phases interfaces. These good properties stem from the discretization of Green's function, which is consistent with the pixel grid while retaining the local nature of the operator that acts on the polarization field. Finally, a fast implementation of the "direct scheme" of Moulinec et al. (1994) that allows for parcimonious memory use is proposed.Comment: v2: `postprint' document (a few remaining typos in the published version herein corrected in red; results unchanged