报告内容摘要

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. 

报告人简介：

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 than 100 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.