Thursday, July 24, 2014

Thermodynamics at the nanoscale: Phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transition

Nanoscale , 2014, Accepted Manuscript

DOI: 10.1039/C4NR02354D, Paper

Yannick Engelmann, Annemie Bogaerts, Erik C. Neyts

Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and...

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