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Title: Thermal Conductivity in Nanostructured Films: From Single Cellulose Nanocrystals to Bulk Films

Source: Biomacromolecules, Volume 15, 2014; pp. 4096-4101.

Author(s)Diaz, Jairo A.; Ye, Zhijiang; Wu, Xiawa; Moore, Arden L.; Moon, Robert J.; Martini, Ashlie; Boday, Dylan J.; Youngblood, Jeffrey P.

Publication Year: 2014  View PDF »

Category: Journal Articles
Associated Research Project(s):   FPL-4707-3B

Abstract: We achieved a multiscale description of the thermal conductivity of cellulose nanocrystals (CNCs) from single CNCs (~­0.72−5.7 W m−1 K−1) to their organized nanostructured films (~­0.22−0.53 W m−1 K−1) using experimental evidence and molecular dynamics (MD) simulation. The ratio of the approximate phonon mean free path (~­1.7−5.3 nm) to the lateral dimension of a single CNC (~­5−20 nm) suggested a contribution of crystal−crystal interfaces to polydisperse CNC film's heat transport. Based on this, we modeled the thermal conductivity of CNC films using MD-predicted single crystal and interface properties along with the degree of CNC alignment in the bulk films using Hermans order parameter. Film thermal conductivities were strongly correlated to the degree of CNC alignment and the direction of heat flow relative to the CNC chain axis. The low interfacial barrier to heat transport found for CNCs (~­9.4 to 12.6 m2 K GW−1), and their versatile alignment capabilities offer unique opportunities in thermal conductivity control.

Keywords: Thermal Conductivity; Cellulose Nanocrystals; Hermans order parameter; Molecular Dynamics; Multiscale Modeling

Publication Review Process: Formally Refereed

File size: 3,903 kb(s)

Date posted: 12/22/2014

This publication is also viewable on Treesearch:  view
RITS Product ID: 71728
Current FPL Scientist associated with this product
Moon, Robert J.
Materials Research Engineer
  

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