Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling
<p dir="ltr">Nanocolloids having directional interactions are highly relevant for designing new self-assembled materials easy to control. In this article we report stochastic dynamics simulations of finite-size pseudo-dipolar colloids immersed in an implicit dielectric solvent using...
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| مؤلفون آخرون: | , |
| منشور في: |
2020
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| _version_ | 1864513513404235776 |
|---|---|
| author | Mariano E. Brito (18622741) |
| author2 | Marcelo A. Carignano (1546291) Verónica I. Marconi (18622744) |
| author2_role | author author |
| author_facet | Mariano E. Brito (18622741) Marcelo A. Carignano (1546291) Verónica I. Marconi (18622744) |
| author_role | author |
| dc.creator.none.fl_str_mv | Mariano E. Brito (18622741) Marcelo A. Carignano (1546291) Verónica I. Marconi (18622744) |
| dc.date.none.fl_str_mv | 2020-12-01T06:00:00Z |
| dc.identifier.none.fl_str_mv | 10.1038/s41598-020-60417-4 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Self-assembly_of_Pseudo-Dipolar_Nanoparticles_at_Low_Densities_and_Strong_Coupling/25911172 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Chemical sciences Macromolecular and materials chemistry Physical chemistry Engineering Materials engineering Nanotechnology Antiparallel alignment Colloids Coulombic interaction Dynamically-arrested Finite-size Nanocolloids Self-assembly Simulations String-fluid String-gel Structural characterization Thermal energy |
| dc.title.none.fl_str_mv | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <p dir="ltr">Nanocolloids having directional interactions are highly relevant for designing new self-assembled materials easy to control. In this article we report stochastic dynamics simulations of finite-size pseudo-dipolar colloids immersed in an implicit dielectric solvent using a realistic continuous description of the quasi-hard Coulombic interaction. We investigate structural and dynamical properties near the low-temperature and highly-diluted limits. This system self-assembles in a rich variety of string-like configurations, depicting three clearly distinguishable regimes with decreasing temperature: fluid, composed by isolated colloids; string-fluid, a gas of short string-like clusters; and string-gel, a percolated network. By structural characterization using radial distribution functions and cluster properties, we calculate the state diagram, verifying the presence of string-fluid regime. Regarding the string-gel regime, we show that the antiparallel alignment of the network chains arises as a novel self-assembly mechanism when the characteristic interaction energy exceeds the thermal energy in two orders of magnitude, ud/kBT ≈ 100. This is associated to relevant structural modifications in the network connectivity and porosity. Furthermore, our results give insights about the dynamically-arrested nature of the string-gel regime, where we show that the slow relaxation takes place in minuscule energy steps that reflect local rearrangements of the network.</p><h2>Other Information</h2><p dir="ltr">Published in: Scientific Reports<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1038/s41598-020-60417-4" target="_blank">https://dx.doi.org/10.1038/s41598-020-60417-4</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_db76f2a7cf75f7afd45b72f11b2bbb85 |
| identifier_str_mv | 10.1038/s41598-020-60417-4 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/25911172 |
| publishDate | 2020 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong CouplingMariano E. Brito (18622741)Marcelo A. Carignano (1546291)Verónica I. Marconi (18622744)Chemical sciencesMacromolecular and materials chemistryPhysical chemistryEngineeringMaterials engineeringNanotechnologyAntiparallel alignmentColloidsCoulombic interactionDynamically-arrestedFinite-sizeNanocolloidsSelf-assemblySimulationsString-fluidString-gelStructural characterizationThermal energy<p dir="ltr">Nanocolloids having directional interactions are highly relevant for designing new self-assembled materials easy to control. In this article we report stochastic dynamics simulations of finite-size pseudo-dipolar colloids immersed in an implicit dielectric solvent using a realistic continuous description of the quasi-hard Coulombic interaction. We investigate structural and dynamical properties near the low-temperature and highly-diluted limits. This system self-assembles in a rich variety of string-like configurations, depicting three clearly distinguishable regimes with decreasing temperature: fluid, composed by isolated colloids; string-fluid, a gas of short string-like clusters; and string-gel, a percolated network. By structural characterization using radial distribution functions and cluster properties, we calculate the state diagram, verifying the presence of string-fluid regime. Regarding the string-gel regime, we show that the antiparallel alignment of the network chains arises as a novel self-assembly mechanism when the characteristic interaction energy exceeds the thermal energy in two orders of magnitude, ud/kBT ≈ 100. This is associated to relevant structural modifications in the network connectivity and porosity. Furthermore, our results give insights about the dynamically-arrested nature of the string-gel regime, where we show that the slow relaxation takes place in minuscule energy steps that reflect local rearrangements of the network.</p><h2>Other Information</h2><p dir="ltr">Published in: Scientific Reports<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1038/s41598-020-60417-4" target="_blank">https://dx.doi.org/10.1038/s41598-020-60417-4</a></p>2020-12-01T06:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1038/s41598-020-60417-4https://figshare.com/articles/journal_contribution/Self-assembly_of_Pseudo-Dipolar_Nanoparticles_at_Low_Densities_and_Strong_Coupling/25911172CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/259111722020-12-01T06:00:00Z |
| spellingShingle | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling Mariano E. Brito (18622741) Chemical sciences Macromolecular and materials chemistry Physical chemistry Engineering Materials engineering Nanotechnology Antiparallel alignment Colloids Coulombic interaction Dynamically-arrested Finite-size Nanocolloids Self-assembly Simulations String-fluid String-gel Structural characterization Thermal energy |
| status_str | publishedVersion |
| title | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling |
| title_full | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling |
| title_fullStr | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling |
| title_full_unstemmed | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling |
| title_short | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling |
| title_sort | Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling |
| topic | Chemical sciences Macromolecular and materials chemistry Physical chemistry Engineering Materials engineering Nanotechnology Antiparallel alignment Colloids Coulombic interaction Dynamically-arrested Finite-size Nanocolloids Self-assembly Simulations String-fluid String-gel Structural characterization Thermal energy |