Speaker
Description
The aim of this work is to develop and implement an advanced two-scale simulation framework that links the nanoscale to the length scale of microns via computational homogenization. We propose a novel framework that integrates the LAMMPS molecular statics solver with a finite element method (FEM). The core objective of this work is to reduce computation time by enabling parallel execution of nanodomain simulations. Key novelties are the establishment of robust communication between the FE solver and LAMMPS for data exchange similar to the FE² method. We address the architectural design of the proposed system with a focus on parallelization techniques, performance optimization, and the high-level client-server design pattern adopted for efficient scale bridging. The implementation allows for more complex and larger-scale simulations, positioning it as a significant advancement in the field of multiscale modeling.
