INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
When do nanowires break? A model for the theoretical study of the
Autor/es:
P. VÉLEZ; 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.
