Helium in polygonal nanopores at zero temperature: Density functional theory calculations

We investigate adsorption of helium in nanoscopic polygonal pores at zero temperature using a finite-range density functional theory. The adsorption potential is computed by means of a technique denoted as the elementary source method. We analyze a rhombic pore with Cs walls, where we show the exist...

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Detalles Bibliográficos
Autores principales: Hernando, A., Hernández, E.S., Mayol, R., Pi, M.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_10980121_v77_n19_p_Hernando
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_10980121_v77_n19_p_Hernando
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spelling todo:paper_10980121_v77_n19_p_Hernando2023-10-03T16:06:06Z Helium in polygonal nanopores at zero temperature: Density functional theory calculations Hernando, A. Hernández, E.S. Mayol, R. Pi, M. We investigate adsorption of helium in nanoscopic polygonal pores at zero temperature using a finite-range density functional theory. The adsorption potential is computed by means of a technique denoted as the elementary source method. We analyze a rhombic pore with Cs walls, where we show the existence of multiple interfacial configurations at some linear densities, which correspond to metastable states. Shape transitions and hysterectic loops appear in patterns which are richer and more complex than in a cylindrical tube with the same transverse area. © 2008 The American Physical Society. Fil:Hernández, E.S. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_10980121_v77_n19_p_Hernando
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description We investigate adsorption of helium in nanoscopic polygonal pores at zero temperature using a finite-range density functional theory. The adsorption potential is computed by means of a technique denoted as the elementary source method. We analyze a rhombic pore with Cs walls, where we show the existence of multiple interfacial configurations at some linear densities, which correspond to metastable states. Shape transitions and hysterectic loops appear in patterns which are richer and more complex than in a cylindrical tube with the same transverse area. © 2008 The American Physical Society.
format JOUR
author Hernando, A.
Hernández, E.S.
Mayol, R.
Pi, M.
spellingShingle Hernando, A.
Hernández, E.S.
Mayol, R.
Pi, M.
Helium in polygonal nanopores at zero temperature: Density functional theory calculations
author_facet Hernando, A.
Hernández, E.S.
Mayol, R.
Pi, M.
author_sort Hernando, A.
title Helium in polygonal nanopores at zero temperature: Density functional theory calculations
title_short Helium in polygonal nanopores at zero temperature: Density functional theory calculations
title_full Helium in polygonal nanopores at zero temperature: Density functional theory calculations
title_fullStr Helium in polygonal nanopores at zero temperature: Density functional theory calculations
title_full_unstemmed Helium in polygonal nanopores at zero temperature: Density functional theory calculations
title_sort helium in polygonal nanopores at zero temperature: density functional theory calculations
url http://hdl.handle.net/20.500.12110/paper_10980121_v77_n19_p_Hernando
work_keys_str_mv AT hernandoa heliuminpolygonalnanoporesatzerotemperaturedensityfunctionaltheorycalculations
AT hernandezes heliuminpolygonalnanoporesatzerotemperaturedensityfunctionaltheorycalculations
AT mayolr heliuminpolygonalnanoporesatzerotemperaturedensityfunctionaltheorycalculations
AT pim heliuminpolygonalnanoporesatzerotemperaturedensityfunctionaltheorycalculations
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