Non-Crystalline Structures of Ultra-Thin Unsupported Nanowires

TL;DR

This paper uses computer simulations to predict that ultrathin metal nanowires can form stable, non-crystalline structures such as icosahedral and helical shapes, influenced by surface energy and packing efficiency.

Contribution

It introduces the prediction of stable non-crystalline atomic structures in ultrathin nanowires, expanding understanding of nanoscale material configurations.

Findings

Stable non-crystalline structures depend on material and wire thickness

Icosahedral packings and helical structures are predicted

Surface energy anisotropy influences structure formation

Abstract

Computer simulations suggest that ultrathin metal wires should develop exotic, non-crystalline stable atomic structures, once their diameter decreases below a critical size of the order of a few atomic spacings. The new structures, whose details depend upon the material and the wire thickness, may be dominated by icosahedral packings. Helical, spiral-structured wires with multi-atom pitches are also predicted. The phenomenon, analogous to the appearance of icosahedral and other non-crystalline shapes in small clusters, can be rationalized in terms of surface energy anisotropy and optimal packing.