Research Activities > Programs > Complex Fluids 2007

Analytical and numerical study of coupled atomistic-continuum methods for fluids

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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]

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