Control algorithm for multiscale flow simulations of water.

  title={Control algorithm for multiscale flow simulations of water.},
  author={Evangelos M. Kotsalis and Jens H. Walther and Efthimios Kaxiras and Petros Koumoutsakos},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  volume={79 4 Pt 2},
We present a multiscale algorithm to couple atomistic water models with continuum incompressible flow simulations via a Schwarz domain decomposition approach. The coupling introduces an inhomogeneity in the description of the atomistic domain and prevents the use of periodic boundary conditions. The use of a mass conserving specular wall results in turn to… CONTINUE READING