Adsorption of atoms and fluids on spherical surfaces
The adsorption of helium on buckyballs at zero temperature is studied using finite range density functional and path integral Monte Carlo methods. The results include strong binding for Cn fullerenes (n>˜20) with a maximum number of adsorbed helium atoms at saturated vapor pressure, and a tra...
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todo:paper_10980121_v68_n12_p_Hernandez2023-10-03T16:05:48Z Adsorption of atoms and fluids on spherical surfaces Hernandez, S. Cole, M.W. Boninsegni, M. fullerene helium adsorption article calculation density functional calculation mathematical analysis model Monte Carlo method phase transition prediction surface property temperature dependence vapor pressure The adsorption of helium on buckyballs at zero temperature is studied using finite range density functional and path integral Monte Carlo methods. The results include strong binding for Cn fullerenes (n>˜20) with a maximum number of adsorbed helium atoms at saturated vapor pressure, and a transition to no adsorption for weakly attractive potentials, exemplified by the case of a small Mg sphere. We show that a simple model describing the film as a continuum characterized by bulk parameters yields predictions in qualitative agreement with the more accurate computations. © 2003 The American Physical Society. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_10980121_v68_n12_p_Hernandez |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
fullerene helium adsorption article calculation density functional calculation mathematical analysis model Monte Carlo method phase transition prediction surface property temperature dependence vapor pressure |
| spellingShingle |
fullerene helium adsorption article calculation density functional calculation mathematical analysis model Monte Carlo method phase transition prediction surface property temperature dependence vapor pressure Hernandez, S. Cole, M.W. Boninsegni, M. Adsorption of atoms and fluids on spherical surfaces |
| topic_facet |
fullerene helium adsorption article calculation density functional calculation mathematical analysis model Monte Carlo method phase transition prediction surface property temperature dependence vapor pressure |
| description |
The adsorption of helium on buckyballs at zero temperature is studied using finite range density functional and path integral Monte Carlo methods. The results include strong binding for Cn fullerenes (n>˜20) with a maximum number of adsorbed helium atoms at saturated vapor pressure, and a transition to no adsorption for weakly attractive potentials, exemplified by the case of a small Mg sphere. We show that a simple model describing the film as a continuum characterized by bulk parameters yields predictions in qualitative agreement with the more accurate computations. © 2003 The American Physical Society. |
| format |
JOUR |
| author |
Hernandez, S. Cole, M.W. Boninsegni, M. |
| author_facet |
Hernandez, S. Cole, M.W. Boninsegni, M. |
| author_sort |
Hernandez, S. |
| title |
Adsorption of atoms and fluids on spherical surfaces |
| title_short |
Adsorption of atoms and fluids on spherical surfaces |
| title_full |
Adsorption of atoms and fluids on spherical surfaces |
| title_fullStr |
Adsorption of atoms and fluids on spherical surfaces |
| title_full_unstemmed |
Adsorption of atoms and fluids on spherical surfaces |
| title_sort |
adsorption of atoms and fluids on spherical surfaces |
| url |
http://hdl.handle.net/20.500.12110/paper_10980121_v68_n12_p_Hernandez |
| work_keys_str_mv |
AT hernandezs adsorptionofatomsandfluidsonsphericalsurfaces AT colemw adsorptionofatomsandfluidsonsphericalsurfaces AT boninsegnim adsorptionofatomsandfluidsonsphericalsurfaces |
| _version_ |
1807316787982761984 |