A novel Stochastic Event-Driven Molecular Dynamics (SEDMD) algorithm is developed for the simulation of polymer chains suspended in a solvent. SEDMD combines event-driven molecular dynamics (EDMD) with the Direct Simulation Monte Carlo (DSMC) method. The polymers are represented as chains of hard-spheres tethered by square wells and interact with the solvent particles with hard-core potentials....

A two-stage computational model of the evolution of a plume generated by laser ablation of an organic solid is presented and discussed. The first stage of the laser ablation involves laser coupling to the target and ejection of the plume and is described by molecular dynamics (MD) simulations. The following stage of a long-term expansion of the ejected plume is modeled by the direct simulation ...

A general purpose kinetic parallel flow solver was developed based on DSMC methodology. Basic characteristics of the solver and some examples of its application are outlined in the paper.

This work investigates the possibility of particle-based algorithms for the Navier-Stokes equations and higher order continuum approximations of the Boltzmann equation; such algorithms would generalize the well-known Pullin scheme for the Euler equations. One such method is proposed in the context of a discrete velocity model of the Boltzmann equation. Preliminary results on shock structure are...

A hybrid continuum/particle approach is proposed for micro scale gas flows in this paper. The approach couples the DSMC-IP method and a Navier-Stokes solver with an adaptive interface. The continuum solver uses the particle cells as ghost cells because the IP method preserves the hydrodynamic information that the continuum solver uses. In order to generate particles from the continuum side, two...

Two recent works have shown that at small Knudsen number (K) the pressure and temperature profiles in plane Poiseuille flow exhibit a different qualitative behavior from the profiles obtained by the Navier-Stokes equations. Tij and Santos [J. Stat. Phys. 76, 1399 (1994)] used the Bhatnagar-Gross-Kook model to show that the temperature profile is bimodal and the pressure profile is nonconstant. ...

The effects of uncertainties in the gas-surface interaction and intermolecular interaction models on the hypersonic boundary layer development are investigated using the non-intrusive generalized polynomial chaos method. In particular, uncertainties in the surface shear stress, normal stress, heat flux, flowfield temperature and density resulting from uncertain viscosity exponent, surface tempe...

These lecture notes present the basic theory and methods for the Direct Simulation Monte Carlo (DSMC) algorithm. Some of the open challenges in the treatment of complex, multi-scale flows are also discussed.

Molecular dynamics and DSMC models for energy transfer in argon dimer argon monomer collisions are compared. The inelastic collision number for these collisions is evaluated, and found to decrease significantly when gas temperature increases.