Kinetic stages in the crystallization of deeply undercooled body-centered-cubic and face-centered-cubic metals

Y. Ashkenazy*, R. S. Averback

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

75 Scopus citations

Abstract

Crystallization velocities in several face-centered-cubic (fcc) and body-centered-cubic (bcc) metals are calculated using molecular dynamics computer simulations for the (1 0 0) and densely packed (1 1 1) or (1 1 0) planar interfaces. We show that the crystallization kinetics can be divided into high- and low-temperature regimes, separated at a crossover temperature, Tc, which is associated with kinetic arrest. In the high-temperature regime, the velocity in both fcc and bcc metals initially increases with the degree of undercooling before reaching a maximum somewhat above the glass temperature. The kinetics is characterized by a thermally activated process. In the low-temperature regime, stresses develop in the interface and reduce the apparent activation energies for interface mobility. For the fcc metals (Cu, Ni, Ag and Pt) the activation energies fall essentially to zero, indicating an athermal process. For bcc metals (Fe, Mo, V, Ta) the activation energies remain finite, varying from ≈0.013 eV (Ta) to ≈0.2 eV (Mo).

Original languageAmerican English
Pages (from-to)524-530
Number of pages7
JournalActa Materialia
Volume58
Issue number2
DOIs
StatePublished - Jan 2010

Bibliographical note

Funding Information:
We acknowledge the support from US Department of Energy – National Nuclear Security Administration under Grant No. DEFG03-02NA00070, and the US DOE – Basic Energy Science under Grant No. DEFG02-05ER46217.

Keywords

  • Crystallization
  • Interface dynamics
  • Kinetics
  • Metals
  • Molecular dynamics

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