Analytical and numerical study of coupled
atomistic-continuum methods for fluids
Professor
Weiqing Ren
New York University
Abstract:
Several coupled atomistic-continuum methods have
been proposed in recent years for the study of fluid
systems. These methods couple a continuum model with
molecular dynamics through the exchange of boundary
conditions in the continuum-particle overlapping
region. Typical choices of the boundary conditions
are velocity and flux. In this talk, we will
consider the four coupling schemes:
velocity-velocity, flux-velocity, velocity-flux and
flux-flux. We will study the stability of these
schemes, and also compare the convergence rate for
steady-state problems. [slides]
