Title Monte Carlo studies of $C_{60}$- and $C_{70}$-peapods Author Verberck, B. Cambedouzou, J. Vliegenthart, G.A. Gompper, G. Launois, P. Faculty/Department Faculty of Sciences. Physics Publication type article Publication 2012 , 2012 Subject Physics Chemistry Engineering sciences. Technology Source (journal) Fullerenes, nanotubes, and carbon nanostructures. - Place of publication unknown Volume/pages 20(2012) :4/7 , p. 371-377 ISSN 1536-383X ISI 000304297500015 Carrier E Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp Abstract We present results of Monte Carlo simulations of chains of C-60 and chains of C-70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C-60- and C-70@SWCNT peapods with radius and temperature. E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000304297500015&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000304297500015&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000304297500015&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle