ISSN:
1662-9752
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
The molecular dynamics (MD) simulation employing the embedded atom method(EAM) has been performed to examine the phase stability of Pt nanoclusters, Ptn (n=38, 147, 309and 561 atoms) with size and temperature. From heating and freezing curves of the nanoclusters,the clusters (Pt147, Pt309 and Pt561) larger than 1 nm in size showed an icosahedral morphology near460 ~ 660 K during freezing, where the formation energy of the icosahedral phase is 0.051 eV/atomfor Pt147, 0.056eV/atom for Pt309 and 0.067 eV/atom for Pt561. We also investigated coalescencebetween two Pt nanoclusters and observed that the minimum size of the coalescent one is around 1nm at 673 K
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/15/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.539-543.3546.pdf
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