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Quasi-one and two-dimensional transitions of gases adsorbed on nanotube bundles

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 Added by George Stan
 Publication date 2000
  fields Physics
and research's language is English




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Grand canonical Monte Carlo simulations have been performed to determine the adsorption behavior of Ar and Kr atoms on the exterior surface of a rope (bundle) consisting of many carbon nanotubes. The computed adsorption isotherms reveal phase transitions associated with the successive creation of quasi-one dimensional lines of atoms near and parallel to the intersection of two adjacent nanotubes.



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We explore the behavior of neon, xenon, and methane filmas adsorbed on the external surface of a bundle of carbon nanotubes. The methods used are classical: a ground state calculation, by grand potential energy minimization, and the grand canonical Monte Carlo (GCMC) method of simulation. Our results are similar to those found recently in a GCMC study of Ar and Kr. At low chemical potential (pressure) the particles form a quasi-one dimensional phase within the groove formed by two contiguous tubes. At higher chemical potential, there occurs a three-stripe phase aligned parallel to the groove (except for xenon). This is followed by monolayer and bilayer phases. The low temperature monolayer phase is striped; the number of stripes per nanotube is a quantized function of the adatom size. In the neon case, the bilayer regime also includes a second layer groove phase. Our results are compared with recent thermal and diffraction experiments. We find no evidence of a zig-zag phase reported recently.
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We overview recent results on intrinsic frictional properties of adsorbed monolayers, composed of mobile hard-core particles undergoing continuous exchanges with a vapor phase. In terms of a dynamical master equation approach we determine the velocity of a biased impure molecule - the tracer particle (TP), constrained to move inside the adsorbed monolayer probing its frictional properties, define the frictional forces exerted by the monolayer on the TP, as well as the particles density distribution in the monolayer.
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Most common types of symmetry breaking in quasi-one-dimensional electronic systems possess a combined manifold of states degenerate with respect to both the phase $theta$ and the amplitude $A$ sign of the order parameter $Aexp(itheta)$. These degrees of freedom can be controlled or accessed independently via either the spin polarization or the charge densities. To understand statistical properties and the phase diagram in the course of cooling under the controlled parameters, we present here an analytical treatment supported by Monte Carlo simulations for a generic coarse-grained two-fields model of XY-Ising type. The degeneracies give rise to two coexisting types of topologically nontrivial configurations: phase vortices and amplitude kinks -- the solitons. In 2D, 3D states with long-range (or BKT type) orders, the topological confinement sets in at a temperature $T=T_1$ which binds together the kinks and unusual half-integer vortices. At a lower $T=T_2$, the solitons start to aggregate into walls formed as rods of amplitude kinks which are ultimately terminated by half-integer vortices. With lowering $T$, the walls multiply passing sequentially across the sample. The presented results indicate a possible physical realization of a peculiar system of half-integer vortices with rods of amplitude kinks connecting their cores. Its experimental realization becomes feasible in view of recent successes in real space observations and even manipulations of domain walls in correlated electronic systems.
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