Mixtures of Hard Ellipsoids and Spheres: Stability of the Nematic Phase

The stability of liquid crystal phases in presence of small amount of non-mesogenic impurities is of general interest for a large spectrum of technological applications and in the theories of binary mixtures. Starting from the known phase diagram of the hard ellipsoids systems, we propose a simple model and method to explore the stability of the nematic phase in presence of small impurities represented by hard spheres. The study is performed in the isobaric ensemble with Monte Carlo simulations

Analysis, by simulation, of the impact of a technical default of a payment system participant.

Payment systems play a very important role in ensuring the safe and efficient transfer of deposits and financial instruments. Consequently, the failure of these systems may have a destabilising impact. Business continuity plans have thus been developed to ensure their robustness. However, their smooth functioning is also contingent on the capacity of participants to submit their payment orders. The Banque de France, in its role of overseer of the French payment systems, conducted a study with a view to enhancing its understanding of the consequences and the impact of the technical default of a participant in such systems. This study, carried out using a simulator of the functioning of the Paris Net Settlement (PNS) large-value payment system, operated by the CRI (Centrale des Règlements Interbancaires), shows that the technical default of a participant in this system has negative consequences on the smooth running of the system. Indeed, a situation in which a major participant, in the wake of a technical incident, is unable to submit its payment orders in a normal fashion to its counterparties in PNS, could further exacerbate congestion in the system and result in almost 10% of payments being rejected among non-defaulting participants. The consequences of a technical default could nevertheless be greatly reduced if the participants set their bilateral sender limits at a lower level than that currently observed and if they reacted rapidly to information indicating a technical default by reducing their bilateral limits with the defaulting participant (defaulter).

Holonomic constraints : an analytical result

Systems subjected to holonomic constraints follow quite complicated dynamics that could not be described easily with Hamiltonian or Lagrangian dynamics. The influence of holonomic constraints in equations of motions is taken into account by using Lagrange multipliers. Finding the value of the Lagrange multipliers allows to compute the forces induced by the constraints and therefore, to integrate the equations of motions of the system. Computing analytically the Lagrange multipliers for a constrained system may be a difficult task that is depending on the complexity of systems. For complex systems, it is most of the time impossible to achieve. In computer simulations, some algorithms using iterative procedures estimate numerically Lagrange multipliers or constraint forces by correcting the unconstrained trajectory. In this work, we provide an analytical computation of the Lagrange multipliers for a set of linear holonomic constraints with an arbitrary number of bonds of constant length. In the appendix of the paper, one would find explicit formulas for Lagrange multipliers for systems having 1, 2, 3, 4 and 5 bonds of constant length, linearly connected.Comment: 13 pages, no figures. To appear in J. Phys. A : Math. The

Yukawa potentials in systems with partial periodic boundary conditions I : Ewald sums for quasi-two dimensional systems

Yukawa potentials are often used as effective potentials for systems as colloids, plasmas, etc. When the Debye screening length is large, the Yukawa potential tends to the non-screened Coulomb potential ; in this small screening limit, or Coulomb limit, the potential is long ranged. As it is well known in computer simulation, a simple truncation of the long ranged potential and the minimum image convention are insufficient to obtain accurate numerical data on systems. The Ewald method for bulk systems, i.e. with periodic boundary conditions in all three directions of the space, has already been derived for Yukawa potential [cf. Y., Rosenfeld, {\it Mol. Phys.}, \bm{88}, 1357, (1996) and G., Salin and J.-M., Caillol, {\it J. Chem. Phys.}, \bm{113}, 10459, (2000)], but for systems with partial periodic boundary conditions, the Ewald sums have only recently been obtained [M., Mazars, {\it J. Chem. Phys.}, {\bf 126}, 056101 (2007)]. In this paper, we provide a closed derivation of the Ewald sums for Yukawa potentials in systems with periodic boundary conditions in only two directions and for any value of the Debye length. A special attention is paid to the Coulomb limit and its relation with the electroneutrality of systems.Comment: 40 pages, 5 figures and 4 table

Fault detection and isolation filter design for systems subject to polytopic uncertainties

This paper considers the robust fault detection and isolation (FDI) problem for linear time-invariant dynamic systems subject to faults, disturbances and polytopic uncertainties. We employ an observer-based FDI filter to generate a residual signal. We propose a cost function that penalizes a weighted combination of the deviation of the fault to residual dynamics from a given fault isolation reference model, as well as the effects of disturbances and uncertainties on the residual, using the Hinfin norm as a measure. The proposed cost function thus captures the requirements of fault detection and isolation and disturbance rejection in the presence of polytopic uncertainties. We derive necessary and sufficient conditions for the existence of an FDI filter that achieves the design specifications. This condition takes the form of easily implementable linear matrix inequality (LMI) optimization problem

Surface-charge-induced freezing of colloidal suspensions

Using grand-canonical Monte Carlo simulations we investigate the impact of charged walls on the crystallization properties of charged colloidal suspensions confined between these walls. The investigations are based on an effective model focussing on the colloids alone. Our results demonstrate that the fluid-wall interaction stemming from charged walls has a crucial impact on the fluid's high-density behavior as compared to the case of uncharged walls. In particular, based on an analysis of in-plane bond order parameters we find surface-charge-induced freezing and melting transitions

Fault detection and isolation filter design for systems subject to polytopic uncertainties

This paper considers the robust fault detection and isolation (FDI) problem for linear time-invariant dynamic systems subject to faults, disturbances and polytopic uncertainties. We employ an observer-based FDI filter to generate a residual signal. We propose a cost function that penalizes a weighted combination of the deviation of the fault to residual dynamics from a given fault isolation reference model, as well as the effects of disturbances and uncertainties on the residual, using the Hinfin norm as a measure. The proposed cost function thus captures the requirements of fault detection and isolation and disturbance rejection in the presence of polytopic uncertainties. We derive necessary and sufficient conditions for the existence of an FDI filter that achieves the design specifications. This condition takes the form of easily implementable linear matrix inequality (LMI) optimization problem

Linearly scaling direct method for accurately inverting sparse banded matrices

In many problems in Computational Physics and Chemistry, one finds a special kind of sparse matrices, termed "banded matrices". These matrices, which are defined as having non-zero entries only within a given distance from the main diagonal, need often to be inverted in order to solve the associated linear system of equations. In this work, we introduce a new O(n) algorithm for solving such a system, being n X n the size of the matrix. We produce the analytical recursive expressions that allow to directly obtain the solution, as well as the pseudocode for its computer implementation. Moreover, we review the different options for possibly parallelizing the method, we describe the extension to deal with matrices that are banded plus a small number of non-zero entries outside the band, and we use the same ideas to produce a method for obtaining the full inverse matrix. Finally, we show that the New Algorithm is competitive, both in accuracy and in numerical efficiency, when compared to a standard method based in Gaussian elimination. We do this using sets of large random banded matrices, as well as the ones that appear when one tries to solve the 1D Poisson equation by finite differences.Comment: 24 pages, 5 figures, submitted to J. Comp. Phy

Global Origin of Mycobacterium tuberculosis in the Midlands, UK

DNA fingerprinting data for 4,207 Mycobacterium tuberculosis isolates were combined with data from a computer program (Origins). Largest population groups were from England (n = 1,031) and India (n = 912), and most prevalent strains were the Euro-American (45%) and East African–Indian (34%) lineages. Combining geographic and molecular data can enhance cluster investigation