No consensus there is on the role played by the icosahedral short range order on the stability of undercooled simple metals. Furthermore, experiments are not in agreement on the nature of the local icosahedral structures. The stability of undercooled copper is analyzed by performing classical molecular dynamics simulations based on an empirical interatomic potential. Icosahedral order is quantified in terms of a common neighbor analysis in several conditions of temperature and pressure. It is possible to show that not only perfect but also defective icosahedra, embedded in a disordered matrix, partecipate to stabilize the atomic structure preventing crystallization.

• Legal notice:
  

  Copyright (c) Pielaszek Research, all rights reserved.
  The above materials, including auxiliary resources, are subject to Publisher's copyright and the Author(s) intellectual rights. Without limiting Author(s) rights under respective Copyright Transfer Agreement, no part of the above documents may be reproduced without the express written permission of Pielaszek Research, the Publisher. Express permission from the Author(s) is required to use the above materials for academic purposes, such as lectures or scientific presentations.
  In every case, proper references including Author(s) name(s) and URL of this webpage: https://science24.com/paper/15759 must be provided.

1. MgH₂-Mg interface: a first-principle molecular dynamics characterization