A Trajectory-Extending Kinetic Monte Carlo (TEKMC) Method for Estimating Penetrant Diffusion Coefficients in Molecular Dynamics Simulations of Glassy Polymers

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTA Trajectory-Extending Kinetic Monte Carlo (TEKMC) Method for Estimating Penetrant Diffusion Coefficients in Molecular Dynamics Simulations of Glassy PolymersS. Neyertz* and D. Brown*View Author Information LMOPS-UMR CNRS 5041, University of Savoie, Bât. IUT, Savoie Technolac, 73376 Le Bourget-du-Lac Cedex, France*Corresponding authors. E-mail: (S.N.) [email protected]; (D.B.) [email protected]Cite this: Macromolecules 2010, 43, 21, 9210–9214Publication Date (Web):October 12, 2010Publication History Received27 August 2010Revised28 September 2010Published online12 October 2010Published inissue 9 November 2010https://pubs.acs.org/doi/10.1021/ma1019895https://doi.org/10.1021/ma1019895brief-reportACS PublicationsCopyright © 2010 American Chemical SocietyRequest reuse permissionsArticle Views782Altmetric-Citations37LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Computational chemistry,Diffusion,Mathematical methods,Molecules,Polymers Get e-Alerts