Quantum Fluids in Nanotubes: a Quantum Monte Carlo Approach

TL;DR

This paper reviews quantum Monte Carlo studies of quantum fluids like helium and hydrogen isotopes adsorbed in carbon nanotubes, highlighting the quasi-one-dimensional confinement effects and the challenges in experimental validation.

Contribution

It provides a comprehensive analysis of quantum fluids in nanotubes using realistic interactions, emphasizing the quasi-one-dimensional physics and comparing different adsorption sites.

Findings

Quantum fluids in narrow nanotubes exhibit nearly one-dimensional behavior.

Theoretical results highlight the importance of confinement on quantum fluid properties.

Experimental data currently lack clarity in identifying dominant adsorption sites.

Abstract

We review quantum Monte Carlo results on energetic and structure properties of quantum fluids adsorbed in a bundle of carbon nanotubes. Using realistic interatomic interactions the different adsorption sites that a bundle offer are accurately studied and compared in some cases with strictly one-dimensional geometries. The study is performed quite extensively for $^4$He and restricted to the inner part of a single nanotube for H$_2$ and D$_2$. From a theoretical point of view, nanotubes open the real possibility of a quasi-one-dimensional confinement where to study quantum fluids in extremely reduced dimensionality. The results obtained show that in the narrowest configurations the system is nearly one-dimensional reinforcing the interest on the physics of one-dimensional quantum fluids. Experimental confirmation of the theoretical results obtained is still not in a satisfactory situation due to the difficulties on extracting from the data the dominant adsorption sites.