Phase-field-crystal study of solute trapping

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Feb;87(2):022404. doi: 10.1103/PhysRevE.87.022404. Epub 2013 Feb 15.

Abstract

In this study we have incorporated two time scales into the phase-field-crystal model of a binary alloy to explore different solute trapping properties as a function of crystal-melt interface velocity. With only diffusive dynamics, we demonstrate that the segregation coefficient, K as a function of velocity for a binary alloy is consistent with the model of Kaplan and Aziz where K approaches unity in the limit of infinite velocity. However, with the introduction of wavelike dynamics in both the density and concentration fields, the trapping follows the kinetics proposed by Sobolev [Phys. Lett. A 199, 383 (1995)], where complete trapping occurs at a finite velocity.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alloys / chemistry*
  • Computer Simulation
  • Crystallization / methods*
  • Models, Chemical*
  • Models, Molecular*
  • Solubility
  • Solutions / chemistry*

Substances

  • Alloys
  • Solutions