Group members published "Microscopic Mechanism of Tunable Thermal Conductivity in Carbon Nanotube-Geopolymer Nanocomposites " in The Journal of Physical Chemistry B. In this work, the effects of the size, content and distribution of carbon nanotubes on the thermal conductivity of geopolymer composites were systematically studied by molecular dynamics simulation method. The microscopic mechanism of thermal conductivity was discussed and analyzed from the perspectives of phonon state density, phonon participation rate and thermal conductivity spectrum decomposition.

The first author of the paper is Liu Wenkai, a Master student from LCC of Shanghai Jiao Tong University.

Original article link:https://pubs.acs.org/doi/10.1021/acs.jpcb.2c08962