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

Bokeloh, J.; Rozas, R. E.; Horbach, J.; Wilde, G.

Abstract

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.

Más información

Título según WOS: Nucleation Barriers for the Liquid-To-Crystal Transition in Ni: Experiment and Simulation
Título de la Revista: PHYSICAL REVIEW LETTERS
Volumen: 107
Número: 14
Editorial: AMER PHYSICAL SOC
Fecha de publicación: 2011
Idioma: English
URL: http://link.aps.org/doi/10.1103/PhysRevLett.107.145701
DOI:

10.1103/PhysRevLett.107.145701

Notas: ISI