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Computational analysis of ionic polymer cluster energetics

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dc.contributorVirginia Tech. Center for Intelligent Material Systems and Structuresen
dc.contributor.authorWeiland, Lisa M.en
dc.contributor.authorLeo, Donald J.en
dc.contributor.departmentCenter for Intelligent Material Systems and Structures (CIMSS)en
dc.date.accessed2015-04-24en
dc.date.accessioned2015-05-05T16:31:35Zen
dc.date.available2015-05-05T16:31:35Zen
dc.date.issued2005-06-01en
dc.description.abstractIn recent years there has been considerable study of the potential mechanisms underlying the electromechanical response of ionic-polymer-metal composites. The most recent models have been based on the response of the ion-containing clusters that are formed when the material is synthesized. Most of these efforts have employed assumptions of uniform ion distribution within spherical cluster shapes. This work investigates the impact of dispensing with these assumptions in order to better understand the parameters that impact cluster shape, size, and ion transport potential. A computational micromechanics model has been developed to predict the equilibrium state of a single cluster of an ionomeric polymer with cluster morphology. No assumptions are made regarding the distribution of charge or the shape of the cluster. For a constant solvated state, the model tracks the position of individual ions within a given cluster in response to ion-ion interaction, mechanical stiffness of the pendant chain, cluster surface energy, and external electric-field loading. Expressions are developed to directly account for forces imposed on ions due to ion-cluster surface interaction. Results suggest that ion pairing is rarely complete; this in turn suggests that the classic assumptions will tend to underpredict electromechanical actuation response. (C) 2005 American Institute of Physics.en
dc.description.sponsorshipNational Science Foundation (U.S.) - Grant No. CMS-0093889en
dc.format.extent11 pagesen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationWeiland, L. M., Leo, D. J. (2005). Computational analysis of ionic polymer cluster energetics. Journal of Applied Physics, 97(1). doi: 10.1063/1.1819974en
dc.identifier.doihttps://doi.org/10.1063/1.1819974en
dc.identifier.issn0021-8979en
dc.identifier.urihttp://hdl.handle.net/10919/52007en
dc.identifier.urlhttp://scitation.aip.org/content/aip/journal/jap/97/1/10.1063/1.1819974en
dc.language.isoen_USen
dc.publisherAmerican Institute of Physicsen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectElectric fieldsen
dc.subjectPolymersen
dc.subjectSurface tensionen
dc.subjectElectrostaticsen
dc.subjectCharged clustersen
dc.titleComputational analysis of ionic polymer cluster energeticsen
dc.title.serialJournal of Applied Physicsen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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