Dielectric resonances in disordered media

Binary disordered systems are usually obtained by mixing two ingredients in variable proportions: conductor and insulator, or conductor and super-conductor. They present very specific properties, in particular the second-order percolation phase transition, with its fractal geometry and the multi-fractal properties of the current moments. These systems are naturally modeled by regular bi-dimensional or tri-dimensional lattices, on which sites or bonds are chosen randomly with given probabilities. The two significant parameters are the ratio h = σ ₁/σ of the complex conductances, σ and σ ₁, of the two components, and their relative abundances p (or, respectively, 1 - p). In this article, we calculate the impedance of the composite by two independent methods: the so-called spectral method, which diagonalises Kirchhoff's Laws via a Green function formalism, and the Exact Numerical Renormalization method (ENR). These methods are applied to mixtures of resistors and capacitors (R-C systems), simulating e.g. ionic conductor-insulator systems, and to composites constituted of resistive inductances and capacitors (LR-C systems), representing metal inclusions in a dielectric bulk. The frequency dependent impedances of the latter composites present very intricate structures in the vicinity of the percolation threshold. In this paper, we analyse the LR-C behavior of compounds formed by the inclusion of small conducting clusters (“n-legged animals”) in a dielectric medium. We investigate in particular their absorption spectra who present a pattern of sharp lines at very specific frequencies of the incident electromagnetic field, the goal being to identify the signature of each animal. This enables us to make suggestions of how to build compounds with specific absorption or transmission properties in a given frequency domain. Received 16 August 2002 Published online 14 February 2003 RID="a" ID="a"e-mail: laurent.raymond@l2mp.fr RID="b" ID="b"e-mail: steffen.schaefer@l2mp.fr RID="c" ID="c"UMR CNRS 6137     

Evidence for a solid phase of dodecahedral C 20

Evidence is presented for the formation of a solid phase based on the smallest fullerene, C₂₀, in thin diamond-like carbon films deposited by ultraviolet laser ablation from diamond onto nickel substrates at room temperature in the presence of 10^-4 torr of cyclohexane or benzene. Laser desorption mass spectrometry from the films shows the presence of C₂₀, C₂₁ and C₂₂ species, while micro-Raman spectroscopy and electron diffraction from selected particles together with first principle density-functional calculations, indicate a cubic solid with dodecahedral C₂₀ cages as building blocks. Unlike solid C₆₀ and fully protonated C₂₀, which are bound by van der Waals forces, the proposed structure is stabilized by linking of the C₂₀ dodecahedra with bridging carbon atoms at interstitial tetrahedral sites to form a face-centered-cubic lattice with 22 carbon atoms per unit cell. Received 10 October 2002 / Received in final form 24 December 2002 Published online 6 March 2003 RID="a" ID="a"e-mail: zafar.iqbal@njit.edu     

Modelling of magnetic effects in near-field optics

Green's dyadic technique represents a powerful tool for calculations in electrodynamics, especially in modelling optical properties of nanoscopic objects. The method does not only provide field distributions, but also maps of susceptibilities and densities of states. Whereas the formalism is well established for dielectrics and electric fields, I present here a straight forward extension to tensors of both electric and magnetic type as well as mixed ones and furthermore to the situation where objects with dielectric and magnetic permeabilities are present together. As examples, characteristic field patterns are compared for elementary dielectric and magnetic perturbations. Green's tensors calculated for a coral structure reveal that mixed susceptibilities can exhibit other symmetries than pure electric or magnetic ones. Maps of all tensor components can thus give essential clues to the interpretation of near-field images. Received 15 December 2002 Published online 20 June 2003 RID="a" ID="a"Files “maths.ps” and “tensors.ps” are only available in electronic form at http://www.edpsciences.org RID="b" ID="b"e-mail: Ursula.Schroeter@uni-konstanz.de     

Evaluating perturbation contributions in SAFT models by comparing to molecular simulation of n-alkanes

SAFT models are generally written as a perturbation series of the Helmholtz energy with reciprocal temperature as the argument. The perturbation coefficients are then functions of density and molecular size. The variation of the perturbation coefficients with molecular size is given primarily by Wertheim's theory [6], [7], [8] and [9], but there may be additional variations as in the PC-SAFT model. In the present work, we compare the characterization of perturbation coefficients inferred from PC-SAFT to those derived from molecular simulations.The molecular simulations are based on Discontinuous Molecular Dynamics (DMD) and second order Thermodynamic Perturbation Theory (TPT). DMD simulation is applied to the repulsive part of the potential model with molecular details like fused hard spheres for the interaction sites and 110° bond angles. The thermodynamic effects of disperse attractions are treated by rigorous application of TPT. The present work re-examines the related work of Elliott and Gray [35] in the low density and critical regions, focusing on n-alkanes with carbon numbers ranging from 3 to 80.We find that SAFT theory overestimates the repulsive contribution (A₀) and underestimates the first order contribution (A₁) of Helmholtz energy relative to simulation. Nevertheless, the correlations are qualitatively reasonable. Significant inconsistencies arise when considering the second order contribution (A₂). For example, the PC-SAFT characterization of A₂ becomes larger than A₁ in the low density, long chain limit, raising concerns about the convergence of the series. Furthermore, fluctuations are underestimated in the critical region and overestimated in the liquid region. In each case, we can suggest improved characterizations. Altogether, these results suggest ways to modify the SAFT formalism to achieve greater consistency between atomistic and coarse-grained models.     

Projective DNF formulae and their revision

Combinatorial and learnability results are proven for projective disjunctive normal forms, a class of DNF expressions introduced by Valiant.     

On a Problem Proposed by Kartsatos

§１．ＩｎｔｒｏｄｕｃｔｉｏｎａｎｄＰｒｅｌｉｍｉｎａｒｉｅｓＬｅｔＸｂｅａｒｅａｌｒｅｆｌｅｘｉｖｅＢａｎａｃｈｓｐａｃｅｗｉｔｈｎｏｒｍａｎｄｎｏｒｍａｌｉｚｅｄｄｕａｌｉｔｙｍａｐｐｉｎｇＪ．Ａｓｕｓｕａｌ，ｗｅｓｕｐｐｏｓｅｔｈａｔｔｈｅｓｐ...     

Structural fluctuations in ensembles of nanoparticles

Caused by the interaction between the particles, structural fluctuations influence thermodynamics and order of transformation of an ensemble of nanoparticles. A stringed thermodynamic analysis revealed that, in fluctuating ensembles, the ratio of particle numbers in the equilibrium over the one in the non-equilibrium phase is independent of any metastable in between. Structural transformations in such ensembles, connected to latent heat, are of infinite order. These findings are summarized in a set of theorems ruling structural fluctuations. Finally, the consequences of fluctuations are demonstrated by an example.     

An upper bound for the speedup of parallel best-bound branch-and-bound algorithms

This paper derives an upper bound for the speedup obtainable by any parallel branch-and-bound algorithm using the best-bound search strategy. We confirm that parallel branch-and-bound can achieve nearly linear, or even super-linear, speedup under the appropriate conditions.This work was supported by U.S. Army Research Office grant DAAG29-82-K-0107.     

Grab vs. composite sampling of particulate materials with significant spatial heterogeneity—A simulation study of “correct sampling errors”

Sampling errors can be divided into two classes, incorrect sampling and correct sampling errors. Incorrect sampling errors arise from incorrectly designed sampling equipment or procedures. Correct sampling errors are due to the heterogeneity of the material in sampling targets. Excluding the incorrect sampling errors, which can all be eliminated in practice although informed and diligent work is often needed, five factors dominate sampling variance: two factors related to material heterogeneity (analyte concentration; distributional heterogeneity) and three factors related to the sampling process itself (sample type, sample size, sampling modus). Due to highly significant interactions, a comprehensive appreciation of their combined effects is far from trivial and has in fact never been illustrated in detail. Heterogeneous materials can be well characterized by the two first factors, while all essential sampling process characteristics can be summarized by combinations of the latter three. We here present simulations based on an experimental design that varies all five factors. Within the framework of the Theory of Sampling, the empirical Total Sampling Error is a function of the fundamental sampling error and the grouping and segregation error interacting with a specific sampling process. We here illustrate absolute and relative sampling variance levels resulting from a wide array of simulated repeated samplings and express the effects by pertinent lot mean estimates and associated Root Mean Squared Errors/sampling variances, covering specific combinations of materials’ heterogeneity and typical sampling procedures as used in current science, technology and industry. Factors, levels and interactions are varied within limits selected to match realistic materials and sampling situations that mimic, e.g., sampling for genetically modified organisms; sampling of geological drill cores; sampling during off-loading 3-dimensional lots (shiploads, railroad cars, truckloads etc.) and scenarios representing a range of industrial manufacturing and production processes. A new simulation facility “SIMSAMP” is presented with selected results designed to show also the wider applicability potential. This contribution furthers a general exposé of all essential effects in the regimen covered by “correct sampling errors”, valid for all types of materials in which non-bias sampling can be achieved.     

关于粗糙奇异积分算子的一点注记

研究R^n上一类沿多项式曲线的奇异积分算子，在一些相当弱的尺寸条件下建立了这些算子的L^p有界性．