Mesoscopic Modeling, Concurrent Coupling and Multiscale Framework

Zhen Li, Xin Bian, Yu-Hang Tang, and George Em Karniadakis

Brown University

We will present the developments on the mesoscopic modeling, concurrent coupling and mulstiscale framework in the project of DOE-suported CM4, with both fundamental contributions to mathematical models and practical coupling framework and algorithm for multiscale simulations. New developed mesoscopic models ("DPD Alphabet") enable accurate modeling of mesoscopic phenomena involving multiple physics and multiple fields. The numerical algorithms of concurrent coupling give the possibility to solve equations at different scales in heterogeneous adjacent multidomains. The toolbox of multiscale universal interface (MUI) provides an efficient framework for handshakes between heterogeneous solvers for modeling multiscale phenomena. The integration of these models and numerical algorithms using the MUI framework paves the way for investigation of the important materials modeling problems related to mesoscopic transport processes in complex materials and at materials interfaces, and uncertainties induced by the stochastic fluctuations at mesosopic scales in soft materials systems.