arXiv subjects

M. C. Gordillo

Publications and source records attributed to M. C. Gordillo.

42 records · Page 3Linked to original sources

arXiv2007

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

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.

cond-mat.mtrl-sci↗

arXiv2003

H2 in the interstitial channels of nanotube bundles

The equation of state of H2 adsorbed in the interstitial channels of a carbon nanotube bundle has been calculated using the diffusion Monte Carlo method. The possibility of a lattice dilation, induced by H2 adsorption, has been analyzed by modeling the cohesion energy of the bundle. The influence of factors like the interatomic potentials, the nanotube radius and the geometry of the channel on the bundle swelling is systematically analyzed. The most critical input is proved to be the C-H2 potential. Using the same model than in planar graphite, which is expected to be also accurate in nanotubes, the dilation is observed to be smaller than in previous estimations or even inexistent. H2 is highly unidimensional near the equilibrium density, the radial degree of freedom appearing progressively at higher densities.

cond-mat↗

arXiv2001

Isotopic effects of hydrogen adsorption in carbon nanotubes

We present diffusion Monte Carlo calculations of D$_2$ adsorbed inside a narrow carbon nanotube. The 1D D$_2$ equation of state is reported, and the one-dimensional character of the adsorbed D$_2$ is analyzed. The isotopic dependence of the constitutive properties of the quantum fluid are studied by comparing D$_2$ and H$_2$. Quantum effects due to their different masses are observed both in the energetic and the structural properties. The influence of the interatomic potential in one-dimensional systems is also studied by comparing the properties of D$_2$ and $^4$He which have nearly the same mass but a sizeably different potential. The physics of molecular hydrogen adsorbed in the interstitial channels of a bundle of nanotubes is analyzed by means of both a diffusion Monte Carlo calculation and an approximate mean field method.

cond-mat.stat-mech↗

arXiv2000

The effect of disorder on the critical temperature of a dilute hard sphere gas

We have performed Path Integral Monte Carlo (PIMC) calculations to determine the effect of quenched disorder on the superfluid density of a dilute 3D hard sphere gas. The disorder was introduced by locating set of hard cylinders randomly inside the simulation cell. Our results indicate that the disorder leaves the superfluid critical temperature basically unchanged. Comparison to experiments of helium in Vycor is made.

cond-mat.dis-nn↗

arXiv2000

Zero-temperature equation of state of quasi-one dimensional H2

We have studied molecular hydrogen in a pure 1D geometry and inside a narrow carbon nanotube by means of the diffusion Monte Carlo method. The one-dimensionality of H2 in the nanotube is well maintained in a large density range, this system being closer to an ideal 1D fluid than liquid 4He in the same setup. H2 shares with 4He the existence of a stable liquid phase and a quasi-continuous liquid-solid transition at very high linear densities.

cond-mat↗

arXiv1999

Quasi one dimensional $^4$He inside carbon nanotubes

We report results of diffusion Monte Carlo calculations for both $^4$He absorbed in a narrow single walled carbon nanotube (R = 3.42 Å) and strictly one dimensional $^4$He. Inside the tube, the binding energy of liquid $^4$He is approximately three times larger than on planar graphite. At low linear densities, $^4$He in a nanotube is an experimental realization of a one-dimensional quantum fluid. However, when the density increases the structural and energetic properties of both systems differ. At high density, a quasi-continuous liquid-solid phase transition is observed in both cases.

cond-mat.stat-mech↗