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Quasi-One-Dimensional Solid Lattice and Liquid hydrogen in Single-Walled carbon Nanotubes

We study the H2 molecules confined in single-walled carbon nanotubes by using molecular dynamics simulations and ab initio calculations. It is found that the H2 molecules at zero-temperature with low density tend to condense. When the linear density of the H2 molecules in the tube increases, various quasi-one-dimensional solid lattices can be observed at low temperature. When the lattices are heated above room temperature, molecular H2 liquids with different density can be observed. The quenching behaviour of the H2 fluids is also examined.