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An Accelerated Method for Investigating Spectral Properties of Dynamically Evolving Nanostructures
[Image: see text] The discrete-dipole approximation (DDA) is widely applied to study the spectral properties of plasmonic nanostructures. However, the high computational cost limits the application of DDA in static geometries, making it impractical for investigating spectral properties during struct...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10150391/ https://www.ncbi.nlm.nih.gov/pubmed/37078273 http://dx.doi.org/10.1021/acs.jpclett.3c00395 |
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author | Jiang, Yibin Sharma, Abhishek Cronin, Leroy |
author_facet | Jiang, Yibin Sharma, Abhishek Cronin, Leroy |
author_sort | Jiang, Yibin |
collection | PubMed |
description | [Image: see text] The discrete-dipole approximation (DDA) is widely applied to study the spectral properties of plasmonic nanostructures. However, the high computational cost limits the application of DDA in static geometries, making it impractical for investigating spectral properties during structural transformations. Here we developed an efficient method to simulate spectra of dynamically evolving structures by formulating an iterative calculation process based on the rank-one decomposition of matrices and DDA. By representing structural transformation as the change of dipoles and their properties, the updated polarizations can be computed efficiently. The improvement in computational efficiency was benchmarked, demonstrating up to several hundred times acceleration for a system comprising ca. 4000 dipoles. The rank-one decomposition accelerated DDA method (RD-DDA) can be used directly to investigate the optical properties of nanostructural transformations defined by atomic- or continuum-scale processes, which is essential for understanding the growth mechanisms of nanoparticles and algorithm-driven structural optimization toward enhanced optical properties. |
format | Online Article Text |
id | pubmed-10150391 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-101503912023-05-02 An Accelerated Method for Investigating Spectral Properties of Dynamically Evolving Nanostructures Jiang, Yibin Sharma, Abhishek Cronin, Leroy J Phys Chem Lett [Image: see text] The discrete-dipole approximation (DDA) is widely applied to study the spectral properties of plasmonic nanostructures. However, the high computational cost limits the application of DDA in static geometries, making it impractical for investigating spectral properties during structural transformations. Here we developed an efficient method to simulate spectra of dynamically evolving structures by formulating an iterative calculation process based on the rank-one decomposition of matrices and DDA. By representing structural transformation as the change of dipoles and their properties, the updated polarizations can be computed efficiently. The improvement in computational efficiency was benchmarked, demonstrating up to several hundred times acceleration for a system comprising ca. 4000 dipoles. The rank-one decomposition accelerated DDA method (RD-DDA) can be used directly to investigate the optical properties of nanostructural transformations defined by atomic- or continuum-scale processes, which is essential for understanding the growth mechanisms of nanoparticles and algorithm-driven structural optimization toward enhanced optical properties. American Chemical Society 2023-04-20 /pmc/articles/PMC10150391/ /pubmed/37078273 http://dx.doi.org/10.1021/acs.jpclett.3c00395 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Jiang, Yibin Sharma, Abhishek Cronin, Leroy An Accelerated Method for Investigating Spectral Properties of Dynamically Evolving Nanostructures |
title | An Accelerated
Method for Investigating Spectral Properties
of Dynamically Evolving Nanostructures |
title_full | An Accelerated
Method for Investigating Spectral Properties
of Dynamically Evolving Nanostructures |
title_fullStr | An Accelerated
Method for Investigating Spectral Properties
of Dynamically Evolving Nanostructures |
title_full_unstemmed | An Accelerated
Method for Investigating Spectral Properties
of Dynamically Evolving Nanostructures |
title_short | An Accelerated
Method for Investigating Spectral Properties
of Dynamically Evolving Nanostructures |
title_sort | accelerated
method for investigating spectral properties
of dynamically evolving nanostructures |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10150391/ https://www.ncbi.nlm.nih.gov/pubmed/37078273 http://dx.doi.org/10.1021/acs.jpclett.3c00395 |
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