Ground state and thermal properties of a lattice gas on a cylindrical surface

Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures are calculated, assuming Lennard-Jones pair interactions be...

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Autores principales: Calbi, M.M., Gatica, S.M., Bojan, M.J., Cole, M.W.
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Acceso en línea:http://hdl.handle.net/20.500.12110/paper_1063651X_v66_n6_p7_Calbi
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spelling todo:paper_1063651X_v66_n6_p7_Calbi2023-10-03T16:01:42Z Ground state and thermal properties of a lattice gas on a cylindrical surface Calbi, M.M. Gatica, S.M. Bojan, M.J. Cole, M.W. Cylindrical geometry Lattice gas Lattice sites Lennard-Jones pair interactions Adsorption Carbon nanotubes Electron gas Geometry Ground state Hamiltonians Mathematical models Monolayers Thermodynamic properties Thin films Crystal lattices article Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures are calculated, assuming Lennard-Jones pair interactions between the particles. The resulting energy and equilibrium structure are nonanalytic functions of radius (R) because of commensuration effects associated with the cylindrical geometry. Specifically, as R varies, structural transitions occur between configurations differing in the “ring number,” defined as the number of atoms located at a common value of the longitudinal coordinate [formula presented] The thermodynamic behavior of this system is evaluated at finite temperatures, using a Hamiltonian with nearest-neighbor interactions. The resulting specific heat bears a qualitative resemblance to that of the one-dimensional Ising model. © 2002 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_1063651X_v66_n6_p7_Calbi
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Cylindrical geometry
Lattice gas
Lattice sites
Lennard-Jones pair interactions
Adsorption
Carbon nanotubes
Electron gas
Geometry
Ground state
Hamiltonians
Mathematical models
Monolayers
Thermodynamic properties
Thin films
Crystal lattices
article
spellingShingle Cylindrical geometry
Lattice gas
Lattice sites
Lennard-Jones pair interactions
Adsorption
Carbon nanotubes
Electron gas
Geometry
Ground state
Hamiltonians
Mathematical models
Monolayers
Thermodynamic properties
Thin films
Crystal lattices
article
Calbi, M.M.
Gatica, S.M.
Bojan, M.J.
Cole, M.W.
Ground state and thermal properties of a lattice gas on a cylindrical surface
topic_facet Cylindrical geometry
Lattice gas
Lattice sites
Lennard-Jones pair interactions
Adsorption
Carbon nanotubes
Electron gas
Geometry
Ground state
Hamiltonians
Mathematical models
Monolayers
Thermodynamic properties
Thin films
Crystal lattices
article
description Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures are calculated, assuming Lennard-Jones pair interactions between the particles. The resulting energy and equilibrium structure are nonanalytic functions of radius (R) because of commensuration effects associated with the cylindrical geometry. Specifically, as R varies, structural transitions occur between configurations differing in the “ring number,” defined as the number of atoms located at a common value of the longitudinal coordinate [formula presented] The thermodynamic behavior of this system is evaluated at finite temperatures, using a Hamiltonian with nearest-neighbor interactions. The resulting specific heat bears a qualitative resemblance to that of the one-dimensional Ising model. © 2002 The American Physical Society.
format JOUR
author Calbi, M.M.
Gatica, S.M.
Bojan, M.J.
Cole, M.W.
author_facet Calbi, M.M.
Gatica, S.M.
Bojan, M.J.
Cole, M.W.
author_sort Calbi, M.M.
title Ground state and thermal properties of a lattice gas on a cylindrical surface
title_short Ground state and thermal properties of a lattice gas on a cylindrical surface
title_full Ground state and thermal properties of a lattice gas on a cylindrical surface
title_fullStr Ground state and thermal properties of a lattice gas on a cylindrical surface
title_full_unstemmed Ground state and thermal properties of a lattice gas on a cylindrical surface
title_sort ground state and thermal properties of a lattice gas on a cylindrical surface
url http://hdl.handle.net/20.500.12110/paper_1063651X_v66_n6_p7_Calbi
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