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Molecular dynamics study of colloidal quasicrystals

Title data

Schoberth, Heiko G. ; Emmerich, Heike ; Holzinger, Markus ; Dulle, Martin ; Förster, Stephan ; Gruhn, Thomas:
Molecular dynamics study of colloidal quasicrystals.
In: Soft Matter. Vol. 36 (2016) Issue 12 . - pp. 7644-7654.
ISSN 1744-683X
DOI: https://doi.org/10.1039/C6SM01454B

Project information

Project financing: Deutsche Forschungsgemeinschaft
DFG SFB 840: "Von partikulären Nanosystemen zur Mesotechnologie"

Abstract in another language

Colloidal quasicrystals have received increased interest recently due to new insight in exploring their potential for photonic materials as well as for optical devices [Vardeny et al., Nat. Photonics, 2013, 7, 177]. Colloidal quasicrystals in aqueous solutions have been found in systems of micelles with impenetrable cores [Fischer et al., Proc. Natl. Acad. Sci. U. S. A., 2011, 108, 1810]. A simple model potential for micelle-micelle interaction is the step potential, which is infinite for core overlaps and constant for shell overlaps. Dotera et al. performed Monte Carlo simulations of the step potential model and found quasicrystals for specific values of the packing fraction [small eta] and the shell-core ratio [small lambda] [Dotera et al., Nature, 2014, 506, 208 ]. However, the overlap of real micelles causes repulsive forces, which increase with decreasing core distance. We consider this by introducing a novel model potential with repulsive forces depending on a third parameter [small alpha]. In a systematic manner we study this more realistic potential with two-dimensional molecular dynamics simulations. For [small alpha] = 0 the model is similar to the step potential model. For the first time, we provide a comprehensive overview of crystalline, quasicrystalline, and disordered structures as a function of [small eta] and [small lambda]. Simulations performed with [small alpha] > 0 show the impact of the repulsive forces. We find that quasicrystalline structures at high densities vanish while new quasicrystalline structures appear at intermediate densities. Our results help to tailor colloidal systems for today's advanced applications in photonics and optical devices.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Physical Chemistry I
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Former Professors > Chair Physical Chemistry I - Univ.-Prof. Dr. Stephan Förster
Faculties > Faculty of Engineering Science > Chair Material and Process Simulations
Faculties > Faculty of Engineering Science > Ehemalige Professoren > Chair Material and Process Simulations - Univ.-Prof. Dr.-Ing. Heike Emmerich
Service Facilities > IT Service Centre
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Engineering Science
Service Facilities
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Former Professors
Faculties > Faculty of Engineering Science > Ehemalige Professoren
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 23 Aug 2016 08:25
Last Modified: 11 Nov 2016 11:39
URI: https://eref.uni-bayreuth.de/id/eprint/34249