Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films

Ultrathin molecular films deposited on a substrate are ubiquitously used in electronics, photonics, and additive manufacturing methods. The nanoscale surface instability of these systems under uniaxial compression is investigated here by molecular dynamics simulations. We focus on deviations from th...

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Autores principales:	Gianfranco Cordella, Antonio Tripodo, Francesco Puosi, Dario Pisignano, Dino Leporini
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	ultrathin molecular films nanoscale surface instabilities elastoplasticity wrinkling molecular dynamics Biology (General) QH301-705.5 Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/e2972fe02b294893b5ceebff2b0ea0a9
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spelling	oai:doaj.org-article:e2972fe02b294893b5ceebff2b0ea0a92021-11-11T17:11:42ZNanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films10.3390/ijms2221117321422-00671661-6596https://doaj.org/article/e2972fe02b294893b5ceebff2b0ea0a92021-10-01T00:00:00Zhttps://www.mdpi.com/1422-0067/22/21/11732https://doaj.org/toc/1661-6596https://doaj.org/toc/1422-0067Ultrathin molecular films deposited on a substrate are ubiquitously used in electronics, photonics, and additive manufacturing methods. The nanoscale surface instability of these systems under uniaxial compression is investigated here by molecular dynamics simulations. We focus on deviations from the homogeneous macroscopic behavior due to the discrete, disordered nature of the deformed system, which might have critical importance for applications. The instability, which develops in the elastoplastic regime above a finite critical strain, leads to the growth of unidimensional wrinkling up to strains as large as <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mn>0.5</mn></mrow></semantics></math></inline-formula>. We highlight both the dominant wavelength and the amplitude of the wavy structure. The wavelength is found to scale geometrically with the film length, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>λ</mi><mo>∝</mo><mi>L</mi></mrow></semantics></math></inline-formula>, up to a compressive strain of <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>ε</mi><mo>≃</mo><mn>0.4</mn></mrow></semantics></math></inline-formula> at least, depending on the film length. The onset and growth of the wrinkling under <i>small</i> compression are quite well described by an extended version of the familiar square-root law in the strain <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>ε</mi></semantics></math></inline-formula> observed in macroscopic systems. Under <i>large</i> compression (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>ε</mi><mo>≳</mo><mn>0.25</mn></mrow></semantics></math></inline-formula>), we find that the wrinkling amplitude increases while leaving the cross section nearly constant, offering a novel interpretation of the instability with a large amplitude. The contour length of the film topography is not constant under compression, which is in disagreement with the simple accordion model. These findings might be highly relevant for the design of novel and effective wrinkling and buckling patterns and architectures in flexible platforms for electronics and photonics.Gianfranco CordellaAntonio TripodoFrancesco PuosiDario PisignanoDino LeporiniMDPI AGarticleultrathin molecular filmsnanoscale surface instabilitieselastoplasticitywrinklingmolecular dynamicsBiology (General)QH301-705.5ChemistryQD1-999ENInternational Journal of Molecular Sciences, Vol 22, Iss 11732, p 11732 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	ultrathin molecular films nanoscale surface instabilities elastoplasticity wrinkling molecular dynamics Biology (General) QH301-705.5 Chemistry QD1-999
spellingShingle	ultrathin molecular films nanoscale surface instabilities elastoplasticity wrinkling molecular dynamics Biology (General) QH301-705.5 Chemistry QD1-999 Gianfranco Cordella Antonio Tripodo Francesco Puosi Dario Pisignano Dino Leporini Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films
description	Ultrathin molecular films deposited on a substrate are ubiquitously used in electronics, photonics, and additive manufacturing methods. The nanoscale surface instability of these systems under uniaxial compression is investigated here by molecular dynamics simulations. We focus on deviations from the homogeneous macroscopic behavior due to the discrete, disordered nature of the deformed system, which might have critical importance for applications. The instability, which develops in the elastoplastic regime above a finite critical strain, leads to the growth of unidimensional wrinkling up to strains as large as <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mn>0.5</mn></mrow></semantics></math></inline-formula>. We highlight both the dominant wavelength and the amplitude of the wavy structure. The wavelength is found to scale geometrically with the film length, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>λ</mi><mo>∝</mo><mi>L</mi></mrow></semantics></math></inline-formula>, up to a compressive strain of <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>ε</mi><mo>≃</mo><mn>0.4</mn></mrow></semantics></math></inline-formula> at least, depending on the film length. The onset and growth of the wrinkling under <i>small</i> compression are quite well described by an extended version of the familiar square-root law in the strain <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>ε</mi></semantics></math></inline-formula> observed in macroscopic systems. Under <i>large</i> compression (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>ε</mi><mo>≳</mo><mn>0.25</mn></mrow></semantics></math></inline-formula>), we find that the wrinkling amplitude increases while leaving the cross section nearly constant, offering a novel interpretation of the instability with a large amplitude. The contour length of the film topography is not constant under compression, which is in disagreement with the simple accordion model. These findings might be highly relevant for the design of novel and effective wrinkling and buckling patterns and architectures in flexible platforms for electronics and photonics.
format	article
author	Gianfranco Cordella Antonio Tripodo Francesco Puosi Dario Pisignano Dino Leporini
author_facet	Gianfranco Cordella Antonio Tripodo Francesco Puosi Dario Pisignano Dino Leporini
author_sort	Gianfranco Cordella
title	Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films
title_short	Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films
title_full	Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films
title_fullStr	Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films
title_full_unstemmed	Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films
title_sort	nanoscale elastoplastic wrinkling of ultrathin molecular films
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/e2972fe02b294893b5ceebff2b0ea0a9
work_keys_str_mv	AT gianfrancocordella nanoscaleelastoplasticwrinklingofultrathinmolecularfilms AT antoniotripodo nanoscaleelastoplasticwrinklingofultrathinmolecularfilms AT francescopuosi nanoscaleelastoplasticwrinklingofultrathinmolecularfilms AT dariopisignano nanoscaleelastoplasticwrinklingofultrathinmolecularfilms AT dinoleporini nanoscaleelastoplasticwrinklingofultrathinmolecularfilms
_version_	1718432149869166592

Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films

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