Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation
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...
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Nature Portfolio
2024-10-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-024-76213-3 |
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| author | Muhammad Javed Iqbal Inayatullah Soomro Mirza Abdur Razzaq Erislandy Omar Martinez Zaily Leticia Velazquez Martinez Imran Ashraf |
| author_facet | Muhammad Javed Iqbal Inayatullah Soomro Mirza Abdur Razzaq Erislandy Omar Martinez Zaily Leticia Velazquez Martinez Imran Ashraf |
| author_sort | Muhammad Javed Iqbal |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-a74964d9062845839b47914b6d7eda87 |
| institution | OA Journals |
| issn | 2045-2322 |
| language | English |
| publishDate | 2024-10-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-a74964d9062845839b47914b6d7eda872025-08-20T02:18:28ZengNature PortfolioScientific Reports2045-23222024-10-0114112310.1038/s41598-024-76213-3Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulationMuhammad Javed Iqbal0Inayatullah Soomro1Mirza Abdur Razzaq2Erislandy Omar Martinez3Zaily Leticia Velazquez Martinez4Imran Ashraf5Department of Mathematics, Shah Abdul Latif UniversityDepartment of Mathematics, Shah Abdul Latif UniversityInstitute of Computer Science, Shah Abdul Latif UniversityUniversidad Europea del AtlanticoUniversidad Europea del AtlanticoDepartment of Information and Communication Engineering, Yeungnam UniversityAbstract 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.https://doi.org/10.1038/s41598-024-76213-3Computational materialsSoft matterDiblock copolymer systemCell dynamic simulationConfinement |
| spellingShingle | Muhammad Javed Iqbal Inayatullah Soomro Mirza Abdur Razzaq Erislandy Omar Martinez Zaily Leticia Velazquez Martinez Imran Ashraf Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation Scientific Reports Computational materials Soft matter Diblock copolymer system Cell dynamic simulation Confinement |
| title | Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation |
| title_full | Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation |
| title_fullStr | Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation |
| title_full_unstemmed | Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation |
| title_short | Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation |
| title_sort | investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation |
| topic | Computational materials Soft matter Diblock copolymer system Cell dynamic simulation Confinement |
| url | https://doi.org/10.1038/s41598-024-76213-3 |
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