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Computing collision stress in assemblies of active spherocylinders: Applications of a fast and generic geometric
Wen Yan1, Huan Zhang2, Michael J Shelley1
1Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, New York 10010, USA.
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.
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