ArticleJournal of chemical theory and computation2024
Dissipative Self-Assembly of Patchy Particles under Nonequilibrium Drive: A Computational Study.
Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Nonequilibrium Acceleration and Time Forecasting of Cluster-Mediated Self-Assembly.Journal of chemical theory and computation · 2025Article
- Coarse-Graining Self-Assembly by the Stochastic Landscape Method.Journal of chemical theory and computation · 2025Article
- Nonequilibrium Self-Assembly Control by the Stochastic Landscape Method.Journal of chemical information and modeling · 2025Article
- Driven Self-Assembly of Patchy Particles Overcoming Equilibrium Limitations.Journal of chemical theory and computation · 2024Article
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Authors and funding
2 authors.
Funding
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Abstract
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.
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Registered trials
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