The low temperature physics of parahydrogen (p-H2) confined in cylindrical channels of diameter of the order of 1 nm is studied theoretically by Quantum Monte Carlo simulations. On varying the attractive strength of the wall of the cylindrical pore, as well as its diameter, the equilibrium phase evolves from a single quasi-1D channel along the axis, to a concentric cylindrical shell. It is found that the quasi-1D system retains a strong propensity to crystallization, even though on weakly attractive substrates quantum fluctuations reduce somewhat such a tendency compared to the purely 1D system. No evidence of a topologically protected superfluid phase (in the Luttinger sense) is observed. Implications on the possible existence of a bulk superfluid phase of parahydrogen are discussed.
We compute by means of Quantum Monte Carlo simulations the equation of state of bulk solid parahydrogen extrapolated to zero temperature, up to a pressure of ∼ 2 MBar. We compare the equation of state yielded by three different pair potentials, namely the Silvera-Goldman, Buck and one recently proposed by Moraldi, modified at short distances to include a repulsive core, missing in the originally proposed potential. The Moraldi pair potential yields an equation of state in very good agreement with experiment at megabar pressures, owing to its softer core, and is at least as accurate as the SG or the Buck at saturated vapour pressure. Estimates for the experimentally measurable kinetic energy per molecule are provided for all pair potentials. arXiv:1303.1169v4 [cond-mat.mtrl-sci]
Confinement has generally the effect of suppressing order in condensed
matter. Indeed, phase transitions such as freezing, or the superfluid
transition in liquid helium, occur at lower temperatures in confinement than
they do in the bulk. We provide here an illustration of a physical setting in
which the opposite takes place. Specifically, the enhancement of the superfluid
response of parahydrogen confined to nanoscale size cavities is demonstrated by
means of first principle computer simulations. Prospects to stabilize and
observe the long sought but yet elusive bulk superfluid phase of parahydrogen
in purposefully designed porous media are discussed.Comment: 5 pages, 4 figures in colo
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