posted on 2024-10-04, 18:09authored byShubhadeep Nag, Gili Bisker
Inspired by biology and implemented using nanotechnology,
the self-assembly
of patchy particles has emerged as a pivotal mechanism for constructing
complex structures that mimic natural systems with diverse functionalities.
Here, we explore the dissipative self-assembly of patchy particles
under nonequilibrium conditions, with the aim of overcoming the constraints
imposed by equilibrium assembly. Utilizing extensive Monte Carlo (MC)
and Molecular Dynamics (MD) simulations, we provide insight into the
effects of external forces that mirror natural and chemical processes
on the assembly rates and the stability of the resulting assemblies
comprising 8, 10, and 13 patchy particles. Implemented by a favorable
bond-promoting drive in MC or a pulsed square wave potential in MD,
our simulations reveal the role these external drives play in accelerating
assembly kinetics and enhancing structural stability, evidenced by
a decrease in the time to first assembly and an increase in the duration
the system remains in an assembled state. Through the analysis of
an order parameter, entropy production, bond dynamics, and interparticle
forces, we unravel the underlying mechanisms driving these advancements.
We also validated our key findings by simulating a larger system of
100 patchy particles. Our comprehensive results not only shed light
on the impact of external stimuli on self-assembly processes but also
open a promising pathway for expanding the application by leveraging
patchy particles for novel nanostructures.