Study of the shear-band evolution across the interface between different spatial scales

Yu Chen Su, Zhen Chen

Research output: Contribution to journalArticlepeer-review


Much research has been performed for multiscale modeling and simulation of physical phenomena, but it is still a challenging task to effectively describe the evolution of failure across the interface between different spatial scales. Although molecular dynamics (MD) at nanoscale, smoothed molecular dynamics (SMD) at mesoscale and material point method (MPM) at micro- and macro-scales have been combined for multiscale simulations of different problems such as uniaxial tension, bending and plate ones, how to simulate the evolution of shear band across different scales remains to be an open issue. As a result, there is a lack of knowledge in objectively evaluating multiscale failure evolution in general. An effort is therefore made in this work to investigate how the shear banding could evolve between different scales with integrated MD and SMD in a single computational domain, which is verified via a convergence study. The interfacial effect on failure evolution is then explored for the future concurrent MD/SMD/MPM simulations of different physical phenomena under extreme loading conditions.

Original languageEnglish
Pages (from-to)73-88
Number of pages16
JournalComputational Particle Mechanics
Issue number1
StatePublished - Feb 2024


  • Molecular dynamics
  • Multiscale simulation
  • Shear-band evolution
  • Smoothed molecular dynamics


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