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Nucleation Barriers for the Liquid-To-Crystal Transition in Ni: Experiment and Simulation

  作者 Bokeloh, J; Rozas, RE; Horbach, J; Wilde, G  
  选自 期刊  PHYSICAL REVIEW LETTERS;  卷期  2011年107-14;  页码  145701-145701  
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[摘要]Nucleation in undercooled Ni is investigated by a combination of differential scanning calorimetry (DSC) experiments and Monte Carlo (MC) simulation. By systematically varying the sample size in the DSC experiments, nucleation rates J over a range of 8 orders of magnitude are obtained. Evidence is given that these rates correspond to homogeneous nucleation. Free energy barriers Delta G*, as extracted from the measured J, are in very good agreement with those from the MC simulation. The MC simulation indicates a nonspherical geometry of crystalline clusters, fluctuating between prolate and oblate shape at a given size. Nevertheless, the temperature dependence of Delta G* is well described by classical nucleation theory.

 
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