NONEQUILIBRIUM MOLECULAR-DYNAMICS SIMULATIONS OF PLANAR ELONGATIONAL FLOW WITH SPATIALLY AND TEMPORALLY PERIODIC BOUNDARY-CONDITIONS

We apply the spatially and temporally periodic boundary conditions dev ised by Kraynik and Reinelt [Int. J. Multiphase Flow 18, 1045 (1992)] to an atomic fluid undergoing planar elongational flow. The periodic b oundary conditions guarantee theoretically infinite simulation times, and thus provide the most promising method yet developed to simulate m olecular fluids undergoing steady planar extension using nonequilibriu m molecular dynamics techniques.