Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation

Iqbal, Muhammad Javed and Soomro, Inayatullah and Razzaq, Mirza Abdur and Omar-Martinez, Erislandy and Velázquez Martínez, Zaily Leticia and Ashraf, Imran UNSPECIFIED, UNSPECIFIED, UNSPECIFIED, UNSPECIFIED, zaily.velazquez@unini.edu.mx, UNSPECIFIED (2024) Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation. Scientific Reports, 14 (1). ISSN 2045-2322

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Abstract

Nanotechnology has opened new avenues for advanced research in various fields of soft materials. Materials scientists, chemists, physicists, and computational mathematicians have begun to take a keen interest in soft materials due to their potential applications in nanopatterning, membrane separation, drug delivery, nanolithography, advanced storage media, and nanorobotics. The unique properties of soft materials, particularly self-assembly, have made them useful in fields ranging from nanotechnology to biomedicine. The discovery of new morphologies in the diblock copolymer system in curved geometries is a challenging problem for mathematicians and theoretical scientists. Structural frustration under the effects of confinement in the system helps predict new structures. This mathematical study evaluates the effects of confinement and curvature on symmetric diblock copolymer melt using a cell dynamic simulation model. New patterns in lamella morphologies are predicted. The Laplacian involved in the cell dynamic simulation model is approximated by generating a 17-point stencil discretized to a polar grid by the finite difference method. Codes are programmed in FORTRAN to run the simulation, and IBM open DX is used to visualize the results. Comparison of computational results with existing studies validates this study and identifies defects and new patterns.

Item Type:	Article
Uncontrolled Keywords:	Computational materials, Soft matter, Diblock copolymer system, Cell dynamic simulation, Confinement
Subjects:	Subjects > Engineering
Divisions:	Europe University of Atlantic > Research > Scientific Production Ibero-american International University > Research > Scientific Production Universidad Internacional do Cuanza > Research > Scientific Production University of La Romana > Research > Scientific Production
Depositing User:	Sr Bibliotecario
Date Deposited:	31 Oct 2024 08:57
Last Modified:	31 Oct 2024 08:57
URI:	http://repositorio.funiber.org/id/eprint/14949

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