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Dynamics of DNA-programmable nanoparticle crystallization: gelation, nucleation and topological defects

TitleDynamics of DNA-programmable nanoparticle crystallization: gelation, nucleation and topological defects
Publication TypeJournal Article
Year of Publication2012
AuthorsKnorowski C, Travesset A
Journal TitleSoft Matter
Volume8
Pages12053-12059
Date Published12/28
Type of ArticleArticle
ISBN Number1744-683X
Accession NumberWOS:000311638500012
Keywordsgraphics processing units, molecular-dynamics, ORGANIZATION, simulations, superlattices
Abstract

DNA programmed nanoparticle self-assembly is emerging as a powerful technique to engineer novel materials. In this paper, we present a comprehensive characterization of the dynamics of DNA mediated nanoparticle superlattice self-assembly from numerical simulations. We show that crystallization is consistent with classical nucleation theory, where the supercooled phase is a gel and the internal energy of the system remains constant during crystallization. After crystallization occurs, equilibrium is reached only after substitutionals, the most common topological defects, are annihilated in a process that involves vacancies or interstitials. Implications for existing and future experiments, as well as for engineering high quality, even single crystal, superlattices are also discussed.
URL<Go to ISI>://WOS:000311638500012
DOI10.1039/c2sm26832a
Alternate JournalSoft Matter