Research

Study of fluid flow through nanotubes and nanochannels

Confinement of fluids in nanoscale systems gives rise to changes in the fluid structure and properties. This has attracted considerable research interest in the recent times due to its important role in the design and development of nanofluidic devices. It has now been established that fluid transport in nanoscale systems could be markedly different from that at macroscale as nanoscale transport could be dominated by the liquid structure and the collective molecular motion. This leads to interesting deviations from the classical continuum approach of analysis, demanding molecular level investigations employing atomistic simulation techniques like molecular dynamics (MD). MD computations are employed to understand the atomic level mechanisms of fluid flow through nanotubes and nanochannels.

Effect of confined fluid interaction on the thermal transport in CNTs

Carbon nanotubes (CNTs) are one of the most commonly used engineering materials. The axial thermal conductivity of CNTs were found to be exceptionally high, which makes them one of the favourable candidates for the next generation thermal management devices. Previous works have indicated that the presence of confined fluid molecules inside the CNT lead to a reduction in the thermal conductivity of the CNT. Here, we investigate the effect of confined liquid flow through CNTs on the thermal transport of CNTs. Spectral energy density method is used to predict the phonon properties and lifetimes of the CNT.

Stability of liquid jets and threads at small length scales

Conventional macroscopic jet theory relies heavily on experimental correlations which cannot be easily extended to the nanoscale regime. Moreover, the fluid dynamic effects at small length scales and their contribution to the development of nano liquid structures are fundamentally different from their macroscopic counterparts. This coupled with the high spatial and temporal resolution requirements at nanoscale domains make molecular dynamics (MD) an excellent tool for studying structures such as nanojets. The stability of liquid structures at such length scales is seen to be influenced strongly by thermal fluctuations. It is seen that Plateau-Rayleigh instability predictions do not hold good at this scale.