Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems

Diaz, Javier, Pinna, Marco, Zvelindovsky, Andrei and Pagonabarraga, Ignacio (2019) Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems. Soft Matter, 45 . pp. 9325-9335. ISSN 1744-683X

Full content URL: https://doi.org/10.1039/C9SM01760G

Documents
Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems
Accepted Manuscript

Request a copy
[img] PDF
3dsims.pdf - Whole Document
Restricted to Repository staff only until 30 October 2020.

16MB
Item Type:Article
Item Status:Live Archive

Abstract

Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological changes of block copolymers are studied in the presence of a considerable filling fraction of colloids. Furthermore, colloids can be found to assemble into ordered hexagonally close-packed structures in a defined number of layers when softly confined within the phase-separated block copolymer. A high concentration of interface-compatible nanoparticles leads to complex long-lived block copolymer morphologies depending on the polymeric composition. Macrophase separation between the colloids and the block copolymer can be induced if colloids are unsolvable within the matrix. This leads to the formation of ellipsoid-shaped polymer-rich domains elongated along the direction perpendicular to the interface between block copolymer domains.

Keywords:Block copolymer, Colloids, Macrophase separation, Ellipsoid
Subjects:F Physical Sciences > F300 Physics
F Physical Sciences > F310 Applied Physics
F Physical Sciences > F200 Materials Science
F Physical Sciences > F343 Computational Physics
G Mathematical and Computer Sciences > G130 Mathematical Methods
G Mathematical and Computer Sciences > G120 Applied Mathematics
F Physical Sciences > F162 Polymer Chemistry
Divisions:College of Science > School of Mathematics and Physics
ID Code:38248
Deposited On:13 Nov 2019 08:53

Repository Staff Only: item control page