Melting and crystallization in Ni nanoclusters: The mesoscale regime
By Yue Qi, Tahir Çagin, W. L. Johnson, William A. Goddard III. 2001
344 citations recorded by the source corpus.
We studied melting and freezing of Ni nanoclusters with up to 8007 atoms ~5.7 nm! using molecular dynamics with the quantum-Sutten‐Chen many-body force field. We find a transition from cluster or molecular behavior below ;500 atoms to a mesoscale nanocrystal regime ~well-defined bulk and surface properties! above ;750 atoms ~2.7 nm!. We find that the mesoscale nanocrystals melt via surface processes, leading to Tm,N5Tm,bulk2aN 21/3 , dropping from Tm,bulk51760 K to Tm,336 5980 K. Cooling from the melt leads first to supercooled clusters with icosahedral local structure. For N.400 the supercooled clusters transform to FCC grains, but smaller values of N lead to a glassy structure with substantial icosahedral character. © 2001 American Institute of Physics. @DOI: 10.1063/1.1373664#
Subfields: Atmospheric Science, Condensed Matter Physics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/d42e8be3ff1e1b66ba874b8a630be0244b2e40d1
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Citations in the corpus
- Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects (2005, background): “(38) (Qi et al., 2001), while, for N 500, Ih structures present higher Tm and large latent heat.”