naa a22 4500 510772153 CHVBK 20180411083217.0 cr unu---uuuuu 180411e20130201xx s 000 0 eng 10.1007/s11837-012-0505-z doi (NATIONALLICENCE)springer-10.1007/s11837-012-0505-z Effect of Curing and Functionalization on the Interface Thermal Conductance in Carbon Nanotube-Epoxy Composites [Elektronische Daten] [Vikas Varshney, Ajit Roy, Tyler Michalak, Jonghoon Lee, Barry Farmer] This study investigates the interface thermal conductance in a functionalized carbon nanotube (CNT)-epoxy composite system and how it is modified when the surrounding matrix is cured. We have used nonequilibrium molecular dynamics simulations to study the interface thermal conductance in both cured and uncured matrices, based on diglycidyl ether of bisphenol F (EPON-862) and diethylenetoluenediamine. The functionalization is modeled using a dynamic crosslinking algorithm and represents a realistic model of the matrix-filler interface. The thermal interface conductance increases linearly with the degree of functionalization up to the studied 2.5% due to stronger thermal coupling between functionalized CNT and the matrix. In addition, it was observed that curing of the matrix increases the interface conductance by 20% relative to the uncured matrix. This increase is attributed to an increase in thermal conductivity of cured epoxy resulting from relative enhancement in nonbonded interactions (originating from volume reduction) and structural rigidity during curing. Our results suggest that the interface conductance can be strongly influenced by the thermal properties of the bulk matrix as well as the interface chemistry of the additives such as CNTs. TMS, 2012 Varshney Vikas Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut Roy Ajit Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut Michalak Tyler College of Nanoscale Science and Engineering, University at Albany, SUNY, 12203, Albany, NY, USA aut Lee Jonghoon Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut Farmer Barry Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut JOM Springer US; http://www.springer-ny.com 65/2(2013-02-01), 140-146 1047-4838 65:2<140 2013 65 11837 https://doi.org/10.1007/s11837-012-0505-z text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s11837-012-0505-z text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Varshney Vikas Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut NATIONALLICENCE 700 1- Roy Ajit Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut NATIONALLICENCE 700 1- Michalak Tyler College of Nanoscale Science and Engineering, University at Albany, SUNY, 12203, Albany, NY, USA aut NATIONALLICENCE 700 1- Lee Jonghoon Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut NATIONALLICENCE 700 1- Farmer Barry Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, 45433, Air Force Base, OH, USA aut NATIONALLICENCE 773 0- JOM Springer US; http://www.springer-ny.com 65/2(2013-02-01), 140-146 1047-4838 65:2<140 2013 65 11837 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer