INVESTIGADORES
VELEZ Patricio
artículos
Título:
When do nanowires break? A model for the theoretical study of the long-term
Autor/es:
P. V√ČLEZ; S.A. DASSIE; E.P.M. LEIVA
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2008 vol. 460 p. 261 - 265
ISSN:
0009-2614
Resumen:
A model is developed to study the long-term stability of monoatomic nanowires in terms of the nudged elastic band method and first-principles calculations. The model considers the elongation of a nanowire under a procedure that must be slow as compared with molecular motion. Test studies are performed for a simple system and excellent agreement is obtained when the theoretical predictions are compared with experimental results from the literature.