Computing collision stress in assemblies of active spherocylinders: Applications of a fast and generic geometric method

Wen Yan, Huan Zhang, Michael J. Shelley

Research output: Contribution to journalArticlepeer-review

Abstract

In this work, we provide a solution to the problem of computing collision stress in particle-tracking simulations. First, a formulation for the collision stress between particles is derived as an extension of the virial stress formula to general-shaped particles with uniform or non-uniform mass density. Second, we describe a collision-resolution algorithm based on geometric constraint minimization which eliminates the stiff pairwise potentials in traditional methods. The method is validated with a comparison to the equation of state of Brownian spherocylinders. Then we demonstrate the application of this method in several emerging problems of soft active matter.

Original languageEnglish (US)
Article number064109
JournalJournal of Chemical Physics
Volume150
Issue number6
DOIs
StatePublished - Feb 14 2019

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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