Title: Multibody Dynamics Algorithm for Multiscale Modeling of Materials and Biomechanical Systems

Date/Time: Thursday, March 9, 2006, 2:00 - 3:00 pm

Location: Building 980, Room 95 (Sandia NM)

Brief Abstract: This talk is an overview of the applicability and advantages of using multibody dynamics algorithms for multiscale molecular dynamics simulations. The ongoing research towards an adaptive multiscale modeling scheme will be presented. This scheme uses a hierarchic sub-structuring approach, thereby allowing models with different resolutions to be accommodated and adaptively modified within the same formulation to achieve improved simulation speed and accuracy. The modeling approach is based on recent advances in computational multibody dynamics algorithms. A brief overview of computational multibody dynamics will be presented. The underlying algorithms that are key to the multi-scale modeling approach will be reviewed. These include algorithms for efficiently simulating multi-rigid and multi-flexible systems with varying topologies, modeling systems with topology changes and unilateral constraints and efficient calculation of sensitivity information. The ongoing collaborative effort to build these algorithms into the LAMMPS code will be discussed.

CSRI POC: Paul Crozier, (505) 845-9714