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| Authors |
Haiming Duan Feng Ding Arne Rosen Avetik Harutyunyan S. Curtarolo Kim Bolton |
|---|---|
| Published in | CHEMICAL PHYSICS |
| Volume | 333 |
| Issue | 1 |
| Pages | 57-62 |
| ISSN | 0301-0104 |
| Publication year | 2007 |
| Published at |
Department of Physics (GU) |
| Pages | 57-62 |
| Language | en |
| Keywords | iron cluster; molecular dynamics; melting mechanism |
| Subject categories | Physical Sciences, Atom and Molecular Physics and Optics |
Molecular dynamics simulations were used to study the change in the mechanism of iron cluster melting with increasing cluster size. Melting of smaller clusters (e.g., Fe-55 and Fe-100) occurs over a large temperature interval where the phase of the cluster repeatedly oscillates between liquid and solid. In contrast, larger clusters (e.g., Fe-300) have sharper melting points with surface melting preceding bulk melting. The importance of the simulation time, the force field and the definition of cluster melting is also discussed.
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