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Author Engelmann, Y.; Bogaerts, A.; Neyts, E.C. url  doi
openurl 
  Title Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions Type A1 Journal article
  Year (down) 2014 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 6 Issue Pages 11981-11987  
  Keywords A1 Journal article; PLASMANT  
  Abstract Using reactive molecular dynamics simulations, the melting behavior of nickelcarbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickelcarbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000343000800049 Publication Date 2014-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 20 Open Access  
  Notes Approved Most recent IF: 7.367; 2014 IF: 7.394  
  Call Number UA @ lucian @ c:irua:119408 Serial 3636  
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