Large-scale influence of defect bonds in geometrically constrained self-assembly

Bosiljka Tadić, Milovan Šuvakov, Miroslav Andjelković, and Geoff J. Rodgers
Phys. Rev. E 102, 032307 – Published 24 September 2020

Abstract

Recently, the importance of higher-order interactions in the physics of quantum systems and nanoparticle assemblies has prompted the exploration of new classes of networks that grow through geometrically constrained simplex aggregation. Based on the model of chemically tunable self-assembly of simplexes [Šuvakov et al., Sci. Rep. 8, 1987 (2018)], here we extend the model to allow the presence of a defect edge per simplex. Using a wide distribution of simplex sizes (from edges, triangles, tetrahedrons, etc., up to 10-cliques) and various chemical affinity parameters, we investigate the magnitude of the impact of defects on the self-assembly process and the emerging higher-order networks. Their essential characteristics are treelike patterns of defect bonds, hyperbolic geometry, and simplicial complexes, which are described using the algebraic topology method. Furthermore, we demonstrate how the presence of patterned defects can be used to alter the structure of the assembly after the growth process is complete. In the assemblies grown under different chemical affinities, we consider the removal of defect bonds and analyze the progressive changes in the hierarchical architecture of simplicial complexes and the hyperbolicity parameters of the underlying graphs. Within the framework of cooperative self-assembly of nanonetworks, these results shed light on the use of defects in the design of complex materials. They also provide a different perspective on the understanding of extended connectivity beyond pairwise interactions in many complex systems.

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  • Received 7 May 2020
  • Accepted 3 September 2020

DOI:https://doi.org/10.1103/PhysRevE.102.032307

©2020 American Physical Society

Physics Subject Headings (PhySH)

NetworksStatistical Physics & ThermodynamicsCondensed Matter, Materials & Applied Physics

Authors & Affiliations

Bosiljka Tadić1,2, Milovan Šuvakov3,4, Miroslav Andjelković5, and Geoff J. Rodgers6

  • 1Department of Theoretical Physics, Jožef Stefan Institute, Jamova 39, Ljubljana, Slovenia
  • 2Complexity Science Hub Vienna, Josephstadter Strasse 39, Vienna, Austria
  • 3Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Zemun-Belgrade, Serbia
  • 4Department of Health Sciences Research, Center for Individualized Medicine, Mayo Clinic, Rochester, Minnesota 55905, USA
  • 5Department of Thermal Engineering and Energy, Vinca Institute of Nuclear Sciences-National Institute of the Republic of Serbia, University of Belgrade, 11000 Belgrade, Serbia
  • 6Brunel University London, Uxbridge Middlesex UB8 3PH, United Kingdom

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Issue

Vol. 102, Iss. 3 — September 2020

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