@Article{CiCP-4-5,
author = {},
title = {A Continuum-Atomistic Multi-Timescale Algorithm for Micro/Nano Flows},
journal = {Communications in Computational Physics},
year = {2008},
volume = {4},
number = {5},
pages = {1279--1291},
abstract = {<p style="text-align: justify;">A multi-timescale algorithm is proposed for simulating time-dependent problems in micro- and nano- fluidics. The total simulation domain is spatially decomposed into two regions. Molecular dynamics is employed in the crucial interfacial
regions and continuum hydrodynamics is adopted in the remaining bulk regions. The
coupling is through “constrained dynamics” in an overlap region. Our time scheme
is based on the time scale separation between the continuum macro time step and
molecular micro time step. This allows the molecular dynamics during one macro
time step to be treated as in quasi-steady state. Therefore, molecular simulation is only
performed in two shorter time intervals. Through linear extrapolation of macroscopic
velocities and re-initialization of particle configurations, we can significantly reduce
the total computational cost. We demonstrate and discuss our time algorithm through
hybrid simulation of channel flow driven by a sinusoidally moving top wall. Converging results are achieved for cases of large separation of time scale with much less
computational cost than with the original hybrid simulation without time extrapolation.</p>},
issn = {1991-7120},
doi = {https://doi.org/2008-CiCP-7838},
url = {https://global-sci.com/article/81303/a-continuum-atomistic-multi-timescale-algorithm-for-micronano-flows}
}