We show by molecular dynamics simulations that the melting temperature of clusters can be tuned by selective doping. In fact, a single Ni or Cu impurity in Ag icosahedral clusters considerably increases the melting temperature even for sizes of more than a hundred atoms. The upward shift is correlated to the strain relaxation induced by a small central impurity in icosahedral clusters.
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Titolo: | Single impurity effect on the melting of nanoclusters | |
Autori: | ||
Data di pubblicazione: | 2005 | |
Rivista: | ||
Abstract: | We show by molecular dynamics simulations that the melting temperature of clusters can be tuned by selective doping. In fact, a single Ni or Cu impurity in Ag icosahedral clusters considerably increases the melting temperature even for sizes of more than a hundred atoms. The upward shift is correlated to the strain relaxation induced by a small central impurity in icosahedral clusters. | |
Handle: | http://hdl.handle.net/11567/209118 | |
Appare nelle tipologie: | 01.01 - Articolo su rivista |
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