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Title: Icosahedra from liquid droplets?
Authors: Lim, H.S. 
Ong, C.K. 
Ercolessi, F.
Issue Date: Jul-1994
Source: Lim, H.S.,Ong, C.K.,Ercolessi, F. (1994-07). Icosahedra from liquid droplets?. Computational Materials Science 2 (3-4) : 495-499. ScholarBank@NUS Repository.
Abstract: Quenching of a liquid Pb droplet containing 8217 atoms to T ∼ 0.65 Tm is studied on the nanosecond time scale using molecular dynamics and a "glue" force model. Crystallization takes place, and analysis of the final structure reveals an icosahedral-like shape, even if cuboctahedral single crystal structures are energetically favoured by our potential for all sizes. This result appears to be a consequence of the rapid formation of {111} crystallization fronts at the liquid surface and moving inward, and provides an explanation for the rapid structural fluctuations observed in electron microscopy experiments. © 1994.
Source Title: Computational Materials Science
ISSN: 09270256
Appears in Collections:Staff Publications

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