A multiscale modeling technique for bridging molecular dynamics with finite element method
A weighted averaging momentum method is introduced for bridging molecular dynamics (MD) with finite element (FE) method. The proposed method shows excellent coupling results in 1-D and 2-D examples. The proposed method successfully reduces the spurious wave reflection at the border of MD and FE regions. Big advantages of the proposed method are simplicity and inexpensive computational cost of multiscale analysis.
multiscale modeling molecular dynamics weighted averaging momentum method wave reflection