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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2002
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_1063651X_v66_n6_p7_Calbi http://hdl.handle.net/20.500.12110/paper_1063651X_v66_n6_p7_Calbi |
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| Sumario: | 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. |
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