ISSN オンライン: 2688-7231
ISBN オンライン: 978-1-56700-524-0
Proceedings of the 26thNational and 4th International ISHMT-ASTFE Heat and Mass Transfer Conference December 17-20, 2021, IIT Madras, Chennai-600036, Tamil Nadu, India
Study of interfacial thermal resistance in boron nitride nanotube (BNNT)-water interface
Thermal transport across various solid-liquid interfaces
has grabbed researchers' attention for many years, essentially due to the need to enhance the heat dissipation in microelectronics and nanoscale devices. In this work, we explore the interfacial thermal resistance (ITR) at boronnitride-water interfaces using molecular dynamics (MD)
simulations. The non-equilibrium molecular dynamics (NEMD) simulation techniques are not appropriate to compute the ITR in cylindrical geometries. As a result, the calculation of ITR in this study is carried out by extending our previously developed EMD method, which is based on linear response theory. It is found that the ITR is a strong function of the diameter of the BNNT. The increase in the number of water molecules presents adjacent to the interface per unit surface area causes the ITR to decrease as the diameter increases. Furthermore, we investigated the impact of chirality and partial charge on ITR. The ITR tends to decrease as the partial charge of the BNNT
increases, whereas chirality has almost no effect. The reduced ITR with the increase in partial charge is due to the increased Coulombic force of attraction between water and the interface.