Fluctuations and Defects in Lamellar Stacks of Amphiphilic Bilayers

We review recent molecular dynamics simulations of thermally activated undulations and defects in the lamellar $L_\alpha$ phase of a binary amphiphile-solvent mixture, using an idealized molecular coarse-grained model: Solvent particles are represented by beads, and amphiphiles by bead-and-spring tetramers. We find that our results are in excellent agreement with the predictions of simple mesoscopic theories: An effective interface model for the undulations, and a line tension model for the (pore) defects. We calculate the binding rigidity and the compressibility modulus of the lamellar stack as well as the line tension of the pore rim. Finally, we discuss implications for polymer-membrane systems.Comment: to appear in Computer Physics Communications (2005

The Early Years of Quantum Monte Carlo (2): Finite Temperature Simulations

In this article we present the second part of our historical survey on quantum Monte Carlo methods. IWe focus on the simulations performed at a finite temperature and based on the path-integral formulation of quantum mechanics. We introduce the method and insist on the central role played by the description of the transition to superfluidity for Helium 4

From Varenna (1970) to Como (1995): Kurt Binder’s long walk in the land of criticality

This paper aims at contributing to the history of early computational statistical mechanics. The topic concerns the physics near a critical point and how long it took for Monte Carlo (MC) simulations to be seriously considered by the community as a valid and important tool to analyze critical phenomena. We will focus on one of the leading scientific figures behind this effort: Kurt Binder, whose scientific achievements were acknowledged by the award of the Boltzmann medal in 2007. Kurt Binder, who is now 75, has retired, some years ago, from a Professorship at the University of Mainz.SCOPUS: ar.jDecretOANoAutActifinfo:eu-repo/semantics/publishe

Local H theorem for the revised Enskog equation

info:eu-repo/semantics/publishe

A model equation for the study of plasmo-hydrodynamical modes

info:eu-repo/semantics/publishe

Early years of Computational Statistical Mechanics

Evidence that a model of hard spheres exhibits a first-order solid-fluid phase transition was provided in the late fifties by two new numerical techniques known as Monte Carlo and Molecular Dynamics. This result can be considered as the starting point of computational statistical mechanics: at the time, it was a confirmation of a counter-intuitive (and controversial) theoretical prediction by J. Kirkwood. It necessitated an intensive collaboration between the Los Alamos team, with Bill Wood developing the Monte Carlo approach, and the Livermore group, where Berni Alder was inventing Molecular Dynamics. This article tells how it happened.SCOPUS: ar.jinfo:eu-repo/semantics/publishe

Opérateur de collision et évolution dans des modèles quantiques exactement solubles

Doctorat en Sciencesinfo:eu-repo/semantics/nonPublishe