Memorias de investigación
Artículos en revistas:
Ni nanowires formed from nanocontacts breaking: Identification and characterization by Molecular Dynamics
Año:2011
Áreas de investigación
  • Ingenierías
Datos
Descripción
We present and discuss an algorithm to identify and characterize the long icosahedral structures (staggered pentagonal nanowires with 1-5-1-5 atomic structure) that appear in Molecular Dynamics simulations of metallic nanowires of different species subjected to stretching. The use of this algorithm allows the identification of pentagonal rings forming the icosahedral structure as well as the determination of its number np , and the maximum length of the pentagonal nanowire Lp m . The algorithm is tested with some ideal structures to show its ability to discriminate between pentagonal rings and other ring structures. We applied the algorithm to Ni nanowires with temperatures ranging between 4K and 865K, stretched along the [111], [100] and [110] directions. We studied statistically the formation of pentagonal nanowires obtaining the distributions of length Lp m and number of rings np as function of the temperature. The Lp m distribution presents a peaked shape, with peaks located at fixed distances whose separation corresponds to the distance between two consecutive pentagonal rings. Keywords: Molecular dynamics, metallic nanocontacts
Internacional
Si
JCR del ISI
Si
Título de la revista
Current Nanoscience
ISSN
1573-4137
Factor de impacto JCR
Información de impacto
Volumen
7
DOI
Número de revista
Desde la página
219
Hasta la página
226
Mes
SIN MES
Ranking
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Participantes
  • Autor: S. Peláez Instituto de Ciencia de Materiales de Madrid
  • Autor: P.A. Serena Instituto de Ciencia de Materiales de Madrid
  • Autor: Carlo Luis Guerrero Contreras UPM
  • Autor: R. Paredes Laboratorio de Simulación. Instituto de Matemáticas, Mexico
  • Autor: P. García-Mochales Departamento de Física de la Materia Condensada, UAM
Grupos de investigación, Departamentos, Centros e Institutos de I+D+i relacionados
  • Creador: Centro o Instituto I+D+i: Instituto de Fusión Nuclear