Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A Model for Hybrid Simulations of Molecular Dynamics and CFD   We propose a method for multi-scale hybrid simulations of molecular dynamics
(MD) and computational fluid dynamics (CFD). In the method, usual lattice-mesh
based simulations are applied for CFD level, but each lattice is associated
with a small MD cell which generates a "local stress" according to a "local
flow field" given from CFD instead of using any constitutive functions at CFD
level. We carried out the hybrid simulations for some elemental flow problems
of simple Lennard-Jones liquids and compared the results with those obtained by
usual CFDs with a Newtonian constitutive relation in order to examine the
validity of our hybrid simulation method. It is demonstrated that our hybrid
simulations successfully reproduced the correct flow behavior obtained from
usual CFDs as far as the mesh size $\Delta x$ and the time-step $\Delta t$ of
CFD are not too large comparing to the system size $l_{\rm MD}$ and the
sampling duration $t_{\rm MD}$ of MD simulations performed at each time step of
CFDs. Otherwise, simulations are affected by large fluctuations due to poor
statistical averages taken in the MD part. Properties of the fluctuations are
analyzed in detail.

2
The categories of this paper are: math
5
The categories of this paper are: gr-qc
18
The categories of this paper are: econ
7
The categories of this paper are: hep-th
19
The categories of this paper are: eess
34
The categories of this paper are: chem-ph
33
The categories of this paper are: plasm-ph
15
The categories of this paper are: nucl-ex
3
The categories of this paper are: physics
20
The categories of this paper are: acc-phys
10
The categories of this paper are: q-bio
29
The categories of this paper are: funct-an
12
The categories of this paper are: nucl-th
30
The categories of this paper are: q-alg
28
The categories of this paper are: alg-geom
11
The categories of this paper are: hep-lat