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Title: Self-assembly of trimer colloids: effect of shape and interaction range

Abstract

Trimers with one attractive bead and two repulsive beads, similar to recently synthesized trimer patchy colloids, were simulated with flat-histogram Monte Carlo methods to obtain the stable self-assembled structures for different shapes and interaction potentials. Extended corresponding states principle was then successfully applied to self-assembling systems in order to approximately collapse the results for models with the same shape, but different interaction range. This helps us directly compare simulation results with previous experiment, and good agreement was found between the two. In addition, a variety of self-assembled structures were observed by varying the trimer geometry, including spherical clusters, elongated clusters, monolayers, and spherical shells. In conclusion, our results help to compare simulations and experiments, via extended corresponding states, and we predict the formation of self-assembled structures for trimer shapes that have not been experimentally synthesized.

Authors:
 [1];  [1];  [2];  [1]
  1. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Chemical Informatics Research Group
  2. Lehigh Univ., Bethlehem, PA (United States). Dept. of Chemical and Biomolecular Engineering
Publication Date:
Research Org.:
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF)
OSTI Identifier:
1467017
Grant/Contract Number:  
SC0013979; TG-MCB-120014
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Soft Matter
Additional Journal Information:
Journal Volume: 12; Journal Issue: 18; Journal ID: ISSN 1744-683X
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 97 MATHEMATICS AND COMPUTING

Citation Formats

Hatch, Harold W., Yang, Seung-Yeob, Mittal, Jeetain, and Shen, Vincent K. Self-assembly of trimer colloids: effect of shape and interaction range. United States: N. p., 2016. Web. doi:10.1039/c6sm00473c.
Hatch, Harold W., Yang, Seung-Yeob, Mittal, Jeetain, & Shen, Vincent K. Self-assembly of trimer colloids: effect of shape and interaction range. United States. doi:10.1039/c6sm00473c.
Hatch, Harold W., Yang, Seung-Yeob, Mittal, Jeetain, and Shen, Vincent K. Tue . "Self-assembly of trimer colloids: effect of shape and interaction range". United States. doi:10.1039/c6sm00473c. https://www.osti.gov/servlets/purl/1467017.
@article{osti_1467017,
title = {Self-assembly of trimer colloids: effect of shape and interaction range},
author = {Hatch, Harold W. and Yang, Seung-Yeob and Mittal, Jeetain and Shen, Vincent K.},
abstractNote = {Trimers with one attractive bead and two repulsive beads, similar to recently synthesized trimer patchy colloids, were simulated with flat-histogram Monte Carlo methods to obtain the stable self-assembled structures for different shapes and interaction potentials. Extended corresponding states principle was then successfully applied to self-assembling systems in order to approximately collapse the results for models with the same shape, but different interaction range. This helps us directly compare simulation results with previous experiment, and good agreement was found between the two. In addition, a variety of self-assembled structures were observed by varying the trimer geometry, including spherical clusters, elongated clusters, monolayers, and spherical shells. In conclusion, our results help to compare simulations and experiments, via extended corresponding states, and we predict the formation of self-assembled structures for trimer shapes that have not been experimentally synthesized.},
doi = {10.1039/c6sm00473c},
journal = {Soft Matter},
number = 18,
volume = 12,
place = {United States},
year = {Tue Apr 05 00:00:00 EDT 2016},
month = {Tue Apr 05 00:00:00 EDT 2016}
}

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Cited by: 10 works
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Works referenced in this record:

Self-assembly from crystals to cells
journal, January 2009

  • Grzybowski, Bartosz A.; Wilmer, Christopher E.; Kim, Jiwon
  • Soft Matter, Vol. 5, Issue 6, p. 1110-1128
  • DOI: 10.1039/b819321p

Anisotropy of building blocks and their assembly into complex structures
journal, August 2007

  • Glotzer, Sharon C.; Solomon, Michael J.
  • Nature Materials, Vol. 6, Issue 8, p. 557-562
  • DOI: 10.1038/nmat1949