A Reduced Stochastic Model for Shock and Detonation Waves

Thursday, July 26, 2007 - 11:20am - 11:40am
EE/CS 3-180
Gabriel Stoltz (École Nationale des Ponts-et-Chaussées (ENPC))
(work in collaboration with J.B. Maillet and L. Soulard
(CEA/DAM, Bruyeres le Chatel, France))

I present a model of mesoparticles, in the Dissipative Particle
Dynamics spirit, in which a molecule is replaced by a particle
with an internal thermodynamic degree of freedom (temperature
or energy). The corresponding dynamics, named DPDE and
idependently derived by Avalos and Mackie and by Espanol, is
energy conserving and Galilean invariant. This model is shown
to give quantitatively accurate results for the simulation of
shock waves in a crystalline polymer. I also present an
extension to detonation waves, which are shock waves triggering
exothermic chemical reactions. In this case, an additional
variable per mesoparticle is introduced, namely a progress
variable describing the chemical reaction, and some reversible
second order kinetics depending on the internal energies of the
particles is postulated.