Rigid body dynamics approach to Stokesian dynamics simulations of nonspherical particles

Simple item page
dc.contributor.authorKutteh, Ren_AU
dc.date.accessioned2010-07-02T05:48:06Zen_AU
dc.date.available2010-07-02T05:48:06Zen_AU
dc.date.issued2010-05-07en_AU
dc.date.statistics2010-05-07en_AU
dc.description.abstractWe describe an algorithm for performing Stokesian dynamics (SD) simulations of suspensions of arbitrary shape rigid particles with hydrodynamic interactions, modeled as rigid groups of spheres, the hydrodynamic mobility matrix of which is accurately computable by several established schemes for spheres. The algorithm is based on Stokesian rigid body equations of translational and rotational motion, which we have derived by an approach formally analogous to that of Newtonian rigid body dynamics. Particle orientation is represented in terms of Euler parameters (quaternion of rotation). This rigid body SD algorithm (RBSDA) complements recently described constraint SD algorithms [ R. Kutteh, J. Chem. Phys. 119, 9280 (2003) ; R. Kutteh, Phys. Rev. E 69, 011406 (2004) ], over which it offers the same computational advantages in imposing total rigidity that the basic rigid body molecular dynamics (MD) algorithm offers over constraint MD algorithms. We show that SD simulation results generated with the RBSDA, in bounded and unbounded geometries, agree very well with those from experiment and other SD and non-SD methods, and are numerically identical to those from a constraint SD algorithm, HSHAKE. Finally, for completeness we also describe a third (additional to the constraint SD and rigid body SD approaches) more traditional approach for SD simulations of arbitrary shape rigid particles modeled as rigid groups of spheres. © 2010, American Institute of Physicsen_AU
dc.identifier.articlenumber174107en_AU
dc.identifier.citationKutteh, R. (2010). Rigid body dynamics approach to Stokesian dynamics simulations of nonspherical particles. Journal of Chemical Physics, 132(17), 174107. doi:10.1063/1.3358330en_AU
dc.identifier.govdoc1822en_AU
dc.identifier.issn0021-9606en_AU
dc.identifier.issue17en_AU
dc.identifier.journaltitleJournal of Chemical Physicsen_AU
dc.identifier.urihttp://dx.doi.org/10.1063/1.3358330en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/1724en_AU
dc.identifier.volume132en_AU
dc.language.isoenen_AU
dc.publisherAmerican Institute of Physicsen_AU
dc.subjectComputational fluid dynamicsen_AU
dc.subjectHydrodynamicsen_AU
dc.subjectMolecular dynamics methoden_AU
dc.subjectSuspensionsen_AU
dc.subjectAlgorithmsen_AU
dc.subjectSpheresen_AU
dc.titleRigid body dynamics approach to Stokesian dynamics simulations of nonspherical particlesen_AU
dc.typeJournal Articleen_AU
Files
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Journal Articles