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.

Single impurity effect on the melting of nanoclusters

ROSSI, GIULIA;FERRANDO, RICCARDO
2005

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.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11567/209118
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