1 research outputs found
Continuum-particle hybrid coupling for mass, momentum and energy transfers in unsteady fluid flow
The aim of hybrid methods in simulations is to communicate regions with
disparate time and length scales. Here, a fluid described at the atomistic
level within an inner region P is coupled to an outer region C described by
continuum fluid dynamics. The matching of both descriptions of matter is made
across an overlapping region and, in general, consists of a two-way coupling
scheme (C->P and P->C) which conveys mass, momentum and energy fluxes. The
contribution of the hybrid scheme hereby presented is two-fold: first it treats
unsteady flows and, more importantly, it handles energy exchange between both C
and P regions. The implementation of the C->P coupling is tested here using
steady and unsteady flows with different rates of mass, momentum and energy
exchange. In particular, relaxing flows described by linear hydrodynamics
(transversal and longitudinal waves) are most enlightening as they comprise the
whole set of hydrodynamic modes. Applying the hybrid coupling scheme after the
onset of an initial perturbation, the cell-averaged Fourier components of the
flow variables in the P region (velocity, density, internal energy, temperature
and pressure) evolve in excellent agreement with the hydrodynamic trends. It is
also shown that the scheme preserves the correct rate of entropy production. We
discuss some general requirements on the coarse-grained length and time scales
arising from both the characteristic microscopic and hydrodynamic scales.Comment: LaTex, 12 pages, 9 figure