TY - JOUR
T1 - Dynamical Coupling Atomistic and Continuum Simulations
JO - Communications in Computational Physics
VL - 5
SP - 1305
EP - 1314
PY - 2011
DA - 2011/10
SN - 10
DO - http://doi.org/10.4208/cicp.231110.080211a
UR - https://global-sci.org/intro/article_detail/cicp/7485.html
KW - 
AB - <p style="text-align: justify;">We propose a new multiscale method that couples molecular dynamics simulations
(MD) at the atomic scale and finite element simulations (FE) at the continuum
regime. By constructing the mass matrix and stiffness matrix dependent on coarsening
of grids, we find a general form of the equations of motion for the atomic and
continuum regions. In order to improve the simulation at finite temperatures, we propose
a low-pass phonon filter near the interface between the atomic and continuum
regions, which is transparent for low frequency phonons, but dampens the high frequency
phonons.</p>