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  4. Liquid-liquid phase coexistence in gold clusters. 2D or not 2D?
 
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2007
Journal Article
Title

Liquid-liquid phase coexistence in gold clusters. 2D or not 2D?

Abstract
The thermodynamics of gold cluster anions (Au_N , N = 11, . . .,; 14) is investigated using quantum molecular dynamics. Our simulations suggest that Au_N may exhibit a novel, freestanding planar liquid phase which dynamically coexists with a normal three-dimensional liquid. Upon cooling with experimentally realizable cooling rates, the entropy-favored three-dimensional liquid clusters often supercool and solidify into the wrong dimensionality. This indicates that experimental validation of theoretically predicted Au_N ground states might be more complicated than hitherto expected.
Author(s)
Koskinen, P.
Häkkinen, H.
Huber, B.
Issendorff, B. von
Moseler, M.
Journal
Physical review letters  
Open Access
File(s)
001.pdf (1.36 MB)
DOI
10.24406/publica-r-212705
10.1103/PhysRevLett.98.015701
Language
English
Fraunhofer-Institut für Werkstoffmechanik IWM  
Keyword(s)
  • liquid-liquid transition

  • phase transitions in cluster

  • spectroscopy and geometrical structure of clusters

  • Cluster

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