engleski

Gold Nanowires

Carbon nanotubes are a topic of research in very attractive and already well developed area of condensed matter science. Cylindrical nanostructures made of other materials are also studied. Recent experimental and computer simulation investigations have shown that gold nanowires exist in several unusual forms, such as multi-shell nanowires and STM suspended monatomic chains. I will present the results of molecular dynamics computer simulation studies of structural, thermal, vibrational, and mechanical properties for gold nanowires. These simulations are based on a realistic, well-tested embedded-atom potential. In molecular dynamics simulations the equations of motion for the system of particles in a required configuration are solved numerically using suitable algorithms. Both infinite (where the periodic boundary conditions are used along the wire axis), and finite nanowires are studied. The systems analyzed are in the range of radii R = (0.5 - 1.5) nm, the lengths of finite nanowires are L = (4 - 12) nm, and the numbers of particles are N = (300 - 2100). In this size range multi-shell cylindrical nanostructures often form. These multi-wall structures are stable up to rather high temperatures T ~ 900 K. It was also found that compressed nanowires recover their initial lengths and radii even after large structural deformations. However, in contrast to the case of carbon nanotubes, in gold nanowires irreversible local atomic rearrangements occur even under small compressions. The results show that gold nanowires are very promising for applications in nanodevices.

gold nanowires; molecular dynamics computer simulations; nanotechnology

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