The multiscale coupling methods are a powerful tool to study
the local phenomenon that occur at the atomic scale.
Such methods are generally employed to study for example crack
propagations, dislocations or nano indentations.
With these approaches, one couples an atomic description which model
the material at the finest scale - such as molecular dynamics - with a
macroscopic model of continuum mechanics.
The use of a macroscopic
model allows to reduce considerably the number
of unknowns to handle. Moreover, it is easier to apply force fields or
conditions to macroscopic models.
Thus, this type of coupling can help to provide complex boundary
conditions to the molecular dynamics domain.
The LibMultiScale is a C++ parallel framework for the multiscale
coupling methods dedicated to material simulations. This framework is
designed with the form of a library providing an API
which makes it possible to program
coupled simulations. At the present time, stable implemented coupling
method is based on
from T. Belytschko
and S. Xiao
The coupled parts can be provided by existing projects. In such a
manner, the API gives C++ templated interfaces to reduce to
the maximum the cost of integration taking the form
of plugins or alike.
Such codes have been integrated to provide a functional prototype of
the framework. For example,
molecular dynamics software that have been integrated is Stamp (a code
of the CEA) and Lammps
The unique software of continuum mechanics, discretized by finite
elements, is based on the libMesh
The LibMultiScale is now distributed with a CECILL-C
open-source licence. You can visit this page
where resides the