Molecular dynamics characterization of icosahedral order in undercooled copper

Research output: Contribution to conferencePaper


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, participate to stabilize the atomic structure preventing crystallization. © 2009 Materials Research Society.
Original languageEnglish
Publication statusPublished - 2008
Event2008 MRS Fall Meeting - , United States
Duration: 1 Jan 2008 → …


Conference2008 MRS Fall Meeting
CountryUnited States
Period1/1/08 → …


All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Celino, M. (2008). Molecular dynamics characterization of icosahedral order in undercooled copper. Paper presented at 2008 MRS Fall Meeting, United States.