dor_id: 41027

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336.#.#.a: Artículo

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856.4.0.u: http://revistas.unam.mx/index.php/rmf/article/view/13833/13170

100.1.#.a: Garzón , Ignacio L.; Reyes Nava, Juan A.; Beltrán , Marcela R.; Michaelian , Karo

524.#.#.a: Garzón , Ignacio L., et al. (2002). Melting of sodium clusters. Revista Mexicana de Física; Vol 48, No 005. Recuperado de https://repositorio.unam.mx/contenidos/41027

245.1.0.a: Melting of sodium clusters

502.#.#.c: Universidad Nacional Autónoma de México

561.1.#.a: Facultad de Ciencias, UNAM

264.#.0.c: 2002

264.#.1.c: 2002-01-01

653.#.#.a: Metal clusters; sodium clusters; melting in clusters; phase transitions in clusters

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041.#.7.h: eng

520.3.#.a: Thermal stability properties and the melting-like transition of NaN , N = 13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta potential based on the second moment approximation of a tight-binding Hamiltonian. The characteristics of the solid-to-liquid transition in the sodium clusters are analyzed by calculating physical quantities like caloric curves, heat capacities, and root-mean-square bond length fluctuations using simulation times of several nanoseconds. Distinct melting mechanisms are obtained for the sodium clusters in the size range investigated. The calculated melting temperatures show an irregular variation with the cluster size, in qualitative agreement with recent experimental results. However, Thermal stability properties and the melting-like transition of NaN , N = 13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta potential based on the second moment approximation of a tight-binding Hamiltonian. The characteristics of the solid-to-liquid transition in the sodium clusters are analyzed by calculating physical quantities like caloric curves, heat capacities, and root-mean-square bond length fluctuations using simulation times of several nanoseconds. Distinct melting mechanisms are obtained for the sodium clusters in the size range investigated. The calculated melting temperatures show an irregular variation with the cluster size, in qualitative agreement with recent experimental results. However, the calculated melting point for the Na55 cluster is about 40 % lower than the experimental value.

773.1.#.t: Revista Mexicana de Física; Vol 48, No 005 (2002)

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Artículo

Melting of sodium clusters

Garzón , Ignacio L.; Reyes Nava, Juan A.; Beltrán , Marcela R.; Michaelian , Karo

Facultad de Ciencias, UNAM, publicado en Revista Mexicana de Física, y cosechado de Revistas UNAM

Licencia de uso

Procedencia del contenido

Entidad o dependencia
Facultad de Ciencias, UNAM
Revista
Repositorio
Contacto
Revistas UNAM. Dirección General de Publicaciones y Fomento Editorial, UNAM en revistas@unam.mx

Cita

Garzón , Ignacio L., et al. (2002). Melting of sodium clusters. Revista Mexicana de Física; Vol 48, No 005. Recuperado de https://repositorio.unam.mx/contenidos/41027

Descripción del recurso

Autor(es)
Garzón , Ignacio L.; Reyes Nava, Juan A.; Beltrán , Marcela R.; Michaelian , Karo
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
Melting of sodium clusters
Fecha
2002-01-01
Resumen
Thermal stability properties and the melting-like transition of NaN , N = 13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta potential based on the second moment approximation of a tight-binding Hamiltonian. The characteristics of the solid-to-liquid transition in the sodium clusters are analyzed by calculating physical quantities like caloric curves, heat capacities, and root-mean-square bond length fluctuations using simulation times of several nanoseconds. Distinct melting mechanisms are obtained for the sodium clusters in the size range investigated. The calculated melting temperatures show an irregular variation with the cluster size, in qualitative agreement with recent experimental results. However, Thermal stability properties and the melting-like transition of NaN , N = 13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta potential based on the second moment approximation of a tight-binding Hamiltonian. The characteristics of the solid-to-liquid transition in the sodium clusters are analyzed by calculating physical quantities like caloric curves, heat capacities, and root-mean-square bond length fluctuations using simulation times of several nanoseconds. Distinct melting mechanisms are obtained for the sodium clusters in the size range investigated. The calculated melting temperatures show an irregular variation with the cluster size, in qualitative agreement with recent experimental results. However, the calculated melting point for the Na55 cluster is about 40 % lower than the experimental value.
Tema
Metal clusters; sodium clusters; melting in clusters; phase transitions in clusters
Idioma
eng
ISSN
2683-2224 (digital); 0035-001X (impresa)

Enlaces