Now showing items 1-20 of 24

    • 4He adsorbed outside a single carbon nanotube 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2012-10-08)
      Article
      Open Access
      The phase diagrams of 4He adsorbed on the external surfaces of single armchair carbon nanotubes with radii in the range 3.42–10.85 Å are calculated using the diffusion Monte Carlo method. For nanotubes narrower than a ...
    • Atomic monolayer deposition on the surface of nanotube mechanical resonators 

      Tavernarakis, Alexandros; Chaste, Julien; Eichler, Alexander; Ceballo, Gustavo; Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi; Bachtold, Adrian (2014-05-14)
      Article
      Open Access
      We study monolayers of noble gas atoms (Xe, Kr, Ar, and Ne) deposited on individual ultraclean suspended nanotubes. For this, we record the resonance frequency of the mechanical motion of the nanotube, since it provides a ...
    • Fluid and registered phases in the second layer of 3He on graphite 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society, 2018-05-29)
      Article
      Open Access
      A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the complete phase diagram of the second 3He layer adsorbed on graphite. We found that a first-layer triangular solid was in ...
    • H-2 physisorbed on graphane 

      Carbonell Coronado, Carmen; De Soto Borrera, Feliciano Carlos; Cazorla Silva, Claudio; Boronat Medico, Jordi; Gordillo Bargueño, Maria Carmen (2013-06)
      Article
      Open Access
      We study the zero-temperature phase diagrams of H2 adsorbed on the three structures predicted for graphane (chair, boat and washboard graphane), using a diffusion Monte Carlo technique. Graphane is the hydrogenated version ...
    • H2 superglass on an amorphous carbon substrate 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society (APS), 2023-02-01)
      Article
      Restricted access - publisher's policy
      The phase diagram of a para-H2 monolayer absorbed on an experimentally synthesized amorphous carbon sheet was calculated using a diffusion Monte Carlo technique. We found that the ground state of that system changed ...
    • He-3 on preplated graphite 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society, 2016-10-18)
      Article
      Open Access
      By using the diffusion Monte Carlo method, we obtained the full phase diagram of He3 on top of graphite preplated with a solid layer of He4. All the He4 atoms of the substrate were explicitly considered and allowed to move ...
    • Layering transition in superfluid helium adsorbed on a carbon nanotube mechanical resonator 

      Noury, Adrien; Vergara Cruz, Jorge; Morfin, Pascal; Plaçais, Bernard; Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi; Balibar, Sébastien; Bachtold, Adrian (American Institute of Physics (AIP), 2019-04-23)
      Article
      Open Access
      Helium is recognized as a model system for the study of phase transitions. Of particular interest is the superfluid phase in two dimensions. We report measurements on superfluid helium films adsorbed on the surface of a ...
    • Liquid and solid phases of He-3 on graphite 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2016-04-04)
      Article
      Open Access
      Recent heat-capacity experiments show quite unambiguously the existence of a liquid He-3 phase adsorbed on graphite. This liquid is stable at an extremely low density, possibly one of the lowest found in nature. Previous ...
    • Luttinger parameter of quasi-one-dimensional para- H2 

      Ferré Porta, Guillem; Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2017-02-06)
      Article
      Open Access
      We have studied the ground-state properties of para-hydrogen in one dimension and in quasi-one-dimensional configurations using the path-integral ground-state Monte Carlo method. This method produces zero-temperature exact ...
    • Molecular dynamics simulations of supercritical water confined within a carbon-slit pore 

      Martí Rabassa, Jordi; Sala Viñas, Jonàs; Guàrdia Manuel, Elvira; Gordillo Bargueño, Maria Carmen (2009-03)
      Article
      Open Access
      We report the results of a series of molecular dynamics simulations of water inside a carbon-slit pore at supercritical conditions. A range of densities corresponding from liquid 0.66 g cm−3 to gas environments 0.08 g ...
    • One-dimensional harmonically confined SU(N) fermions 

      Gordillo Bargueño, Maria Carmen; Mazzanti Castrillejo, Fernando Pablo; Boronat Medico, Jordi (American Physical Society (APS), 2019-08-05)
      Article
      Open Access
      We study the momentum distributions and spatial correlations of few harmonically confined SU(N) fermions using quantum Monte Carlo methods. In our study, we vary the spin degeneracy N from 2 to 6 and the total number of ...
    • Phase diagram of H-2 adsorbed on graphene 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2010-04-15)
      Article
      Open Access
      The phase diagram of the first layer of H2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of 4He, the ground ...
    • Phase diagrams of He-4 on flat and curved environments 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2013-06)
      Article
      Open Access
      By means of diffusion Monte Carlo calculations, we obtained the phase diagrams of a first and second layer of 4He on graphene and on the outside of different isolated armchair carbon nanotubes with radii in the range 3.42 ...
    • Phases of 4He and H2 adsorbed on a single carbon nanotube 

      Gordillo Bargueño, Maria Carmen; Rodríguez García, R.; Boronat Medico, Jordi (American Physical Society (APS), 2023-05-22)
      Article
      Restricted access - publisher's policy
      Using a diffusion Monte Carlo technique, we calculated the phase diagrams of 4He and H2 adsorbed on a single (5,5) carbon nanotube, one of the narrowest that can be obtained experimentally. For a single monolayer, when the ...
    • Phases of He 4 and H2 adsorbed on doped graphene 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society (APS), 2023-10-01)
      Article
      Restricted access - publisher's policy
      The influence of attractive boron impurities, embedded on a graphene sheet, on the phase diagrams of 4He and H2 adsorbed on top was studied using the diffusion Monte Carlo method. The doping of graphene was made by ...
    • Second layer of H2 and D2 adsorbed on graphene 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2013-04-03)
      Article
      Open Access
      We report diffusion Monte Carlo calculations on the phase diagrams of para-H2 and ortho-D2 adsorbed on top of a first layer of the same substances on graphene. We found that the ground state of the second layer is a ...
    • Size effects on water adsorbed on hydrophobic probes at the nanometric scale 

      Calero Borrallo, Carles; Gordillo Bargueño, Maria Carmen; Martí Rabassa, Jordi (2013-06-03)
      Article
      Open Access
      Molecular dynamics simulations of liquid water at ambient conditions, adsorbed at the external walls of (n,n) single-walled armchair carbon nanotubes have been performed for n = 5, 9, 12. The comparison with the case of ...
    • Superfluid and supersolid phases of He-4 on the second layer of graphite 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Institute of Physics (AIP), 2020-05-22)
      Article
      Open Access
      We revisited the phase diagram of the second layer of 4He on top of graphite using quantum Monte Carlo methods. Our aim was to explore the existence of the novel phases suggested recently in experimental works, and determine ...
    • Supersolidity in quantum films adsorbed on graphene and graphite 

      Gordillo Bargueño, Maria Carmen; Cazorla, C.; Boronat Medico, Jordi (2011-03-17)
      Article
      Open Access
      Using quantum Monte Carlo we have studied the superfluid density of the first layer of 4He and H2 adsorbed on graphene and graphite. Our main focus has been on the equilibrium ground state of the system, which corresponds ...
    • Supersolidity in the second layer of para-H2 adsorbed on graphite 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society (APS), 2022-03-03)
      Article
      Restricted access - publisher's policy
      We calculated the phase diagram of the second layer of para-H2 adsorbed on graphite using quantum Monte Carlo methods. The second layer shows an incommensurate triangular crystal structure. By using a symmetric wave function, ...