Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session N33: Microscopic Self-Assembly II
11:30 AM–1:54 PM,
Wednesday, March 8, 2023
Room: Room 225
Sponsoring
Unit:
DSOFT
Chair: Tine Curk, Johns Hopkins University
Abstract: N33.00001 : Exploring hydrodynamic effects in colloidal self-assembly using multiparticle collision dynamics (MPCD) simulations
11:30 AM–11:42 AM
Author not Attending
Presenter:
Ying-Shuo Peng
(University of Pennsylvania)
Authors:
Ying-Shuo Peng
(University of Pennsylvania)
Talid Sinno
(University of Pennsylvania)
The primary technical challenge associated with including HI into particle simulations is the computational expense associated with the resolution of short-ranged (lubrication) interactions while also capturing Brownian fluctuations. Here, we explore crystallite nucleation, growth and dissolution by multiparticle collision dynamics (MPCD) [5] coupled with molecular dynamics via a discrete particle model (DP) [6]. The use of MPCD+DP is quantitatively validated using four well-defined cases: (1) a particle near a wall, (2) two-particle motion, (3) crowded environment diffusion, and (4) cluster-forming phase separation. The impact of DP resolution is investigated in all four cases. Finally, we demonstrate and analyze significant variations in colloidal crystallite dissolution and growth rates, as well as diffusionless transformation outcomes when HI are included.
[1] G. Fiorucci, G. M. Coli, J. T. Padding, and M. Dijkstra, J. Chem. Phys. 152, 064903 (2020).
[2] Z. Varga, G. Wang, and J. Swan, Soft Matter 11, 9009 (2015).
[3] I. C. Jenkins, M. T. Casey, J. T. McGinley, J. C. Crocker, and T. Sinno, Proc. Natl Acad. Sci. USA 111, 4803–4808 (2014).
[4] Y. K. Lee, X. Li, P. Perdikaris, J. C. Crocker, C. Reina, and T. Sinno, Proc. Natl. Acad. Sci. U. S. A. 117, 12700– 12706 (2020)
[5] A. Malevanets and R. Kapral, J. Chem. Phys. 110, 8605–8613 (1999).
[6] S. Poblete, A. Wysocki, G. Gompper, and R. G. Winkler, Phys. Rev. E 90, 033314 (2014).
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