Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2004-10-18
Nano. Lett. 5, 2174 (2005)
Physics
Condensed Matter
Statistical Mechanics
5 pages, 5 color figures
Scientific paper
Molecular dynamic simulations are used to study the heating of a gold nanorod of 2624 atoms. We show that roughening of surface {110} facets leads to a shape transformation and structural rearrangement of surface and bulk atoms in the rod, in order to reach a more stable configuration. Our results show that the stability of the nanorod is governed by the free energetics of the surface facets.
Dellago Christoph
Teitel S.
Wang Yanting
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