4He adsorbed inside (10,10) single walled carbon nanotubes

TL;DR

This study uses diffusion Monte Carlo simulations to investigate how helium-4 atoms adsorb inside (10,10) single-walled carbon nanotubes, revealing a phase transition between low and high density arrangements.

Contribution

It provides the first detailed quantum Monte Carlo analysis of helium adsorption in (10,10) nanotubes, identifying a phase transition and evaluating inter-tube effects.

Findings

Identified a first order phase transition between two helium arrangements.

Discovered a low density liquid phase near the tube wall.

Found negligible energy correction from neighboring tubes.

Abstract

Diffusion Monte Carlo calculations on the adsorption of $^4$He in open-ended single walled (10,10) nanotubes are presented. We have found a first order phase transition separating a low density liquid phase in which all $^4$He atoms are adsorbed close to the tube wall and a high density arrangement characterized by two helium concentric layers. The energy correction due to the presence of neighboring tubes in a bundle has also been calculated, finding it negligible in the density range considered.