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A kinetic equation for granular media

Dario Benedetto, Emanuele Caglioti, Mario Pulvirenti (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

In this short note we correct a conceptual error in the heuristic derivation of a kinetic equation used for the description of a one-dimensional granular medium in the so called quasi-elastic limit, presented by the same authors in reference[1]. The equation we derived is however correct so that, the rigorous analysis on this equation, which constituted the main purpose of that paper, remains unchanged.

A Kinetic equation for granular media

Dario Benedetto, Emanuele Caglioti, Mario Pulvirenti (1999)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

A two-scale approach to logarithmic Sobolev inequalities and the hydrodynamic limit

Natalie Grunewald, Felix Otto, Cédric Villani, Maria G. Westdickenberg (2009)

Annales de l'I.H.P. Probabilités et statistiques

We consider the coarse-graining of a lattice system with continuous spin variable. In the first part, two abstract results are established: sufficient conditions for a logarithmic Sobolev inequality with constants independent of the dimension (Theorem 3) and sufficient conditions for convergence to the hydrodynamic limit (Theorem 8). In the second part, we use the abstract results to treat a specific example, namely the Kawasaki dynamics with Ginzburg–Landau-type potential.

Analysis of a force-based quasicontinuum approximation

Matthew Dobson, Mitchell Luskin (2008)

ESAIM: Mathematical Modelling and Numerical Analysis

We analyze a force-based quasicontinuum approximation to a one-dimensional system of atoms that interact by a classical atomistic potential. This force-based quasicontinuum approximation can be derived as the modification of an energy-based quasicontinuum approximation by the addition of nonconservative forces to correct nonphysical “ghost” forces that occur in the atomistic to continuum interface during constant strain. The algorithmic simplicity and consistency with the purely atomistic model at...

Analytical derivation of time spectral rigidity for thermodynamic traffic gas

Milan Krbálek (2010)

Kybernetika

We introduce an one-dimensional thermodynamical particle model which is efficient in predictions about a microscopical structure of animal/human groups. For such a model we present analytical calculations leading to formulae for time clearance distribution as well as for time spectral rigidity. Furthermore, the results obtained are reformulated in terms of vehicular traffic theory and consecutively compared to experimental traffic data.

Atomistic to Continuum limits for computational materials science

Xavier Blanc, Claude Le Bris, Pierre-Louis Lions (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

The present article is an overview of some mathematical results, which provide elements of rigorous basis for some multiscale computations in materials science. The emphasis is laid upon atomistic to continuum limits for crystalline materials. Various mathematical approaches are addressed. The setting is stationary. The relation to existing techniques used in the engineering literature is investigated.

Interacting Brownian particles and Gibbs fields on pathspaces

David Dereudre (2010)

ESAIM: Probability and Statistics

In this paper, we prove that the laws of interacting Brownian particles are characterized as Gibbs fields on pathspace associated to an explicit class of Hamiltonian functionals. More generally, we show that a large class of Gibbs fields on pathspace corresponds to Brownian diffusions. Some applications to time reversal in the stationary and non stationary case are presented.

Interacting brownian particles and Gibbs fields on pathspaces

David Dereudre (2003)

ESAIM: Probability and Statistics

In this paper, we prove that the laws of interacting brownian particles are characterized as Gibbs fields on pathspace associated to an explicit class of hamiltonian functionals. More generally, we show that a large class of Gibbs fields on pathspace corresponds to brownian diffusions. Some applications to time reversal in the stationary and non stationary case are presented.

Interlaced processes on the circle

Anthony P. Metcalfe, Neil O’Connell, Jon Warren (2009)

Annales de l'I.H.P. Probabilités et statistiques

When two Markov operators commute, it suggests that we can couple two copies of one of the corresponding processes. We explicitly construct a number of couplings of this type for a commuting family of Markov processes on the set of conjugacy classes of the unitary group, using a dynamical rule inspired by the RSK algorithm. Our motivation for doing this is to develop a parallel programme, on the circle, to some recently discovered connections in random matrix theory between reflected and conditioned...

Large deviations for voter model occupation times in two dimensions

G. Maillard, T. Mountford (2009)

Annales de l'I.H.P. Probabilités et statistiques

We study the decay rate of large deviation probabilities of occupation times, up to time t, for the voter model η: ℤ2×[0, ∞)→{0, 1} with simple random walk transition kernel, starting from a Bernoulli product distribution with density ρ∈(0, 1). In [Probab. Theory Related Fields77 (1988) 401–413], Bramson, Cox and Griffeath showed that the decay rate order lies in [log(t), log2(t)]. In this paper, we establish the true decay rates depending on the level. We show that the decay rates are log2(t) when...

Molecular Simulation in the Canonical Ensemble and Beyond

Zhidong Jia, Ben Leimkuhler (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

In this paper, we discuss advanced thermostatting techniques for sampling molecular systems in the canonical ensemble. We first survey work on dynamical thermostatting methods, including the Nosé-Poincaré method, and generalized bath methods which introduce a more complicated extended model to obtain better ergodicity. We describe a general controlled temperature model, projective thermostatting molecular dynamics (PTMD) and demonstrate that it flexibly accommodates existing alternative thermostatting...

Multiscale Materials Modelling: Case Studies at the Atomistic and Electronic Structure Levels

Emilio Silva, Clemens Först, Ju Li, Xi Lin, Ting Zhu, Sidney Yip (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

Although the intellectual merits of computational modelling across various length and time scales are generally well accepted, good illustrative examples are often lacking. One way to begin appreciating the benefits of the multiscale approach is to first gain experience in probing complex physical phenomena at one scale at a time. Here we discuss materials modelling at two characteristic scales separately, the atomistic level where interactions are specified through classical potentials and the...

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