Papers Published

1. Ding, Feng and Rosan, Arne and Curtarolo, Stefano and Bolton, Kim, Modeling the melting of supported clusters, Applied Physics Letters, vol. 88 no. 13 (2006), pp. 133110 - [1.2187950] .
   (last updated on 2007/04/06)

   Abstract:
   Molecular dynamics simulations have been used to study the structural and dynamic changes during melting of free and supported iron clusters ranging from 150 to 10 000 atoms. The results reveal a method for determining effective diameters of supported metal clusters, so that the melting point dependence on cluster size can be predicted in a physically meaningful way by the same analytic model used for free clusters. © 2006 American Institute of Physics.

   Keywords:
   Iron;Structural analysis;Computer simulation;