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Title: Communication: Programmable self-assembly of thin-shell mesostructures

Abstract

For this article, we study numerically the possibility of programmable self-assembly of various thin-shell architectures. They include clusters isomorphic to fullerenes C 20 and C 60, finite and infinite sheets, tube-shaped and toroidal mesostructures. Our approach is based on the recently introduced directionally functionalized nanoparticle platform, for which we employ a hybrid technique of Brownian dynamics with stochastic bond formation. By combining a number of strategies, we were able to achieve a near-perfect yield of the desired structures with a reduced “alphabet” of building blocks. Among those strategies are the following: the use of bending rigidity of the interparticle bond as a control parameter, programming the morphology with a seed architecture, use of chirality-preserving symmetries for reduction of the particle alphabet, and the hierarchic approach.

Authors:
 [1];  [1]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Fusion Energy Sciences (FES) (SC-24)
OSTI Identifier:
1424972
Alternate Identifier(s):
OSTI ID: 1399291
Report Number(s):
BNL-203257-2018-JAAM
Journal ID: ISSN 0021-9606
Grant/Contract Number:
SC0012704
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 147; Journal Issue: 14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; Materials; Nanoparticles; Fullerenes; Stochastic processes; Geometry; Biomedical engineering; Probability theory; Interdisciplinary physics; Materials science; Mathematical physics

Citation Formats

Halverson, Jonathan D., and Tkachenko, Alexei V. Communication: Programmable self-assembly of thin-shell mesostructures. United States: N. p., 2017. Web. doi:10.1063/1.4999654.
Halverson, Jonathan D., & Tkachenko, Alexei V. Communication: Programmable self-assembly of thin-shell mesostructures. United States. doi:10.1063/1.4999654.
Halverson, Jonathan D., and Tkachenko, Alexei V. Fri . "Communication: Programmable self-assembly of thin-shell mesostructures". United States. doi:10.1063/1.4999654.
@article{osti_1424972,
title = {Communication: Programmable self-assembly of thin-shell mesostructures},
author = {Halverson, Jonathan D. and Tkachenko, Alexei V.},
abstractNote = {For this article, we study numerically the possibility of programmable self-assembly of various thin-shell architectures. They include clusters isomorphic to fullerenes C20 and C60, finite and infinite sheets, tube-shaped and toroidal mesostructures. Our approach is based on the recently introduced directionally functionalized nanoparticle platform, for which we employ a hybrid technique of Brownian dynamics with stochastic bond formation. By combining a number of strategies, we were able to achieve a near-perfect yield of the desired structures with a reduced “alphabet” of building blocks. Among those strategies are the following: the use of bending rigidity of the interparticle bond as a control parameter, programming the morphology with a seed architecture, use of chirality-preserving symmetries for reduction of the particle alphabet, and the hierarchic approach.},
doi = {10.1063/1.4999654},
journal = {Journal of Chemical Physics},
number = 14,
volume = 147,
place = {United States},
year = {Fri Oct 13 00:00:00 EDT 2017},
month = {Fri Oct 13 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on October 13, 2018
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  • For this article, we study numerically the possibility of programmable self-assembly of various thin-shell architectures. They include clusters isomorphic to fullerenes C 20 and C 60, finite and infinite sheets, tube-shaped and toroidal mesostructures. Our approach is based on the recently introduced directionally functionalized nanoparticle platform, for which we employ a hybrid technique of Brownian dynamics with stochastic bond formation. By combining a number of strategies, we were able to achieve a near-perfect yield of the desired structures with a reduced “alphabet” of building blocks. Among those strategies are the following: the use of bending rigidity of the interparticle bondmore » as a control parameter, programming the morphology with a seed architecture, use of chirality-preserving symmetries for reduction of the particle alphabet, and the hierarchic approach.« less
  • Here, we propose a general strategy of “sequential programmable self-assembly” that enables a bottom-up design of arbitrary multi-particle architectures on nano- and microscales. We show that a naive realization of this scheme, based on the pairwise additive interactions between particles, has fundamental limitations that lead to a relatively high error rate. This can be overcome by using cooperative interparticle binding. The cooperativity is a well known feature of many biochemical processes, responsible, e.g., for signaling and regulations in living systems. Here we propose to utilize a similar strategy for high precision self-assembly, and show that DNA-mediated interactions provide a convenientmore » platform for its implementation. In particular, we outline a specific design of a DNA-based complex which we call “DNA spider,” that acts as a smart interparticle linker and provides a built-in cooperativity of binding. We demonstrate versatility of the sequential self-assembly based on spider-functionalized particles by designing several mesostructures of increasing complexity and simulating their assembly process. This includes a number of finite and repeating structures, in particular, the so-called tetrahelix and its several derivatives. Due to its generality, this approach allows one to design and successfully self-assemble virtually any structure made of a “GEOMAG” magnetic construction toy, out of nanoparticles. According to our results, once the binding cooperativity is strong enough, the sequential self-assembly becomes essentially error-free.« less