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Updated: Feb 1, 2026

Thermal Scanning Conductometry TSC as a General Method for Studying and Controlling the Phase Behavior of Conductive Physical Gels
Published on: January 23, 2018
Thermal conductivity of TiO2 nanotube: a molecular dynamics study
Liang Yang1,2, Cai-Zhuang Wang3, Shiwei Lin2
1School of Chemical Engineering, Nanjing University of Science & Technology, Nanjing 210094, People's Republic of China.
Abstract:
The thermal conductivity of anatase TiO2 nanotubes was investigated using equilibrium molecular dynamics simulations based on Green-Kubo formalism. The calculated thermal conductivity of [Formula: see text] for anatase crystal at room temperature agrees well with experimental value of ~8.5 W K-1 · m-1, demonstrating that the method used in our calculation can provide a good description for the thermal transport of TiO2. The dependence of the thermal conductivity of TiO2 nanotubes with temperature, tube size and chirality were studied in detail. The relationship between the thermal conductivity and the vibrational density-of-states of the nanotubes was also investigated.
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