The effective thermal conductivity of water/carbon nanotube (CNT) composite systems is predicted using molecular dynamics simulation. Both empty and water-filled CNTs with diameters ranging from 0.83 nm to 1.26 nm are considered. Using a direct application of the Fourier law, we explore the transition to diffusive phonon transport with increasing CNT length and identify the correlation between CNT diameter and fully-diffusive thermal conductivity. Using Green-Kubo linear response theory, we explore how the thermal conductivity of water inside CNT varies with tube diameter. We predict the effective thermal conductivity of the composite systems and examine how the phonon modes in the CNT are affected by interactions with the water molecules.
- Heat Transfer Division
Thermal Conductivity of Water/Carbon Nanotube Composite Systems: Insights From Molecular Dynamics Simulations
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Thomas, JA, Iutzi, RM, & McGaughey, AJH. "Thermal Conductivity of Water/Carbon Nanotube Composite Systems: Insights From Molecular Dynamics Simulations." Proceedings of the ASME 2009 Heat Transfer Summer Conference collocated with the InterPACK09 and 3rd Energy Sustainability Conferences. Volume 2: Theory and Fundamental Research; Aerospace Heat Transfer; Gas Turbine Heat Transfer; Computational Heat Transfer. San Francisco, California, USA. July 19–23, 2009. pp. 33-38. ASME. https://doi.org/10.1115/HT2009-88029
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