Molecular Dynamics Simulations of an Idealized Shock Tube: N$_{2}$ in Ar Bath Driven by He

The dynamics of 10{\%} N$_{2}$ in Ar initially at 298 K in an idealized shock tube driven by He was studied using molecular dynamics. The simulations were performed using the Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code. Nitrogen was modeled as a Morse oscillator and non-covalent interactions were approximated by the Buckingham exponential-6 pair potential. The initial pressures in the He driver gas and the driven N$_{2}$/Ar gas were 1000 atm and 20 atm, respectively. Microcanonical trajectories were followed for 2 ns following release of the driver gas. Results for excitation and subsequent relaxation of the N$_{2}$, as well as properties of the gas during the simulations, will be reported.