Speaker: Prof. Shaofan Li (the University of California-Berkeley)

Chair Person: Prof. Jianxiang Wang

Date: Oct. 27, 2015, 16:00-17:00

Place: Room 210 COE Building No.1

Report Introduction:

In this presentation, we shall introduce a con-current multiscale micromorphic molecular dynamics (MCMD), which generalizes the classical Andersen-Parrinello-Rahman molecular dynamics to inhomogeneous and non-equilibrium systems with arbitrary finite domains. More importantly, it can take into account the macroscale continuum boundary condition as the input of molecular dynamics.
The multiscale micromorphic molecular dynamics is a con-current coupling of the fine scale molecular dynamics with a coarse scale finite element based nonlinear mesoscale continuum dynamics. By choosing proper closure conditions, we have shown that the Andersen-Parrinello-Rahman molecular dynamics is a special case of the proposed multiscale molecular dynamics. In other words, we have shown that the Andersen-Parrinello-Rahman molecular dynamics can be rigorously formulated and justified from first principle. Moreover, we also show that one may be able to derive the basic equations of nonlinear mesoscale continuum mechanics from first principle.

Furthermore, the con-current multiscale continuum-molecular dynamics provides a solid foundation for general non-equilibrium molecular dynamics. To implement this con-current multiscale formalism, we have developed a three-dimensional multiscale continuum-molecular dynamics computer code, which couples the Parrinello-Rahman (PR) molecular dynamics with non-linear finite element based continuum dynamics. In this presentation, we shall present several numerical examples of the proposed MMMD to demonstrate the validity as well as the applications of the proposed multiscale method.

About Speaker:

Dr. Shaofan Li is currently a full professor of applied and computational mechanics at the University of California-Berkeley. Dr. Li graduated from the Department of Mechanical Engineering at the East China University of Science and Technology (Shanghai, China) with a Bachelor Degree of Science in 1982; he also holds Master Degrees of Science from both the Huazhong University of Science and Technology (Wuhan, China) and the University of Florida (Gainesville, FL, USA) in Applied Mechanics and Aerospace Engineering in 1989 and 1993 respectively. In 1997, Dr. Li received a PhD degree in Mechanical Engineering from the Northwestern University (Evanston, IL, USA), and he was also a post-doctoral researcher at the Northwestern University during 1997-2000.

In 2000, Dr. Li joined the faculty of the Department of Civil and Environmental Engineering at the University of California-Berkeley. Dr. Shaofan Li has also been a visiting Changjiang Professor in the Huazhong University of Science and Technology, Wuhan, China (2007-2013). Dr. Shaofan Li is the recipient of ICACM Computational Mechanics Award (2013),  USACM Fellow Award (2013), A. Richard Newton Research Breakthrough Award (2008), and NSF Career Award (2003). Dr. Li has published more than100 articles in peer-reviewed scientific journals (SCI) with h-index 38 (Google Scholar), and he is also the author of two research monographs/graduate textbooks.