Multiscale modeling of thermal conductivity of polymer/carbon nanocomposites

Autor:	Thomas S. Gates, Thomas C. Clancy, Jeffrey A. Hinkley, S. J. V. Frankland
Rok vydání:	2010
Předmět:	chemistry.chemical_classification Materials science Nanocomposite Thermal resistance General Engineering Polymer Carbon nanotube Condensed Matter Physics Amorphous solid law.invention Thermal conductivity chemistry Chemical engineering law Interfacial thermal resistance Graphite
Zdroj:	International Journal of Thermal Sciences. 49:1555-1560
ISSN:	1290-0729
DOI:	10.1016/j.ijthermalsci.2010.05.007
Popis:	Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::00e4717c6f39d56f69cc358fe5fec1f8 https://doi.org/10.1016/j.ijthermalsci.2010.05.007 Zobrazit plný text záznamu Full Text from ScienceDirect