Quasi-one-dimensional liquid hydrogen confined in single-walled carbon nanotubes

摘要

H_2 molecules confined in single-walled carbon nanotubes were studied using molecular dynamics simulations and ab initio calculations.It was found that at zero-temperature,H_2 molecules with low density tended to condense.Increasing the linear density of the H_2 molecules confined in the tube,various quasi-one-dimensional solid lattices were observed at low temperature.Heating the lattices above room temperature,molecular H_2 liquids with varying densities were observed.The quenching behavior of the H_2 fluids was examined.