Modeling the coupled effects of interfacial and bulk phenomena during solution crystal growth

Yong Il Kwon, Jeffrey J. Derby

Research output: Contribution to journalConference articlepeer-review

34 Scopus citations

Abstract

We present a self-consistent, continuum model for the growth of a vicinal facet from solution, which couples surface phenomena and bulk effects. The surface kinetic model, based on the theory of Burton, Cabrera, and Frank (BCF), rigorously accounts for the interactions of discrete growth steps through surface diffusion fields, adsorption and desorption events, ledge growth kinetics with Schwoebel effects, and convective transport due to step motion. This model is self-consistently coupled with a bulk transport model which describes bulk diffusion to terraces, direct bulk diffusion to growth steps, and bulk convective transport due to step motion and applied flow fields. No analytical approximations are made, rather the simultaneous governing equations are solved numerically by an efficient, moving-boundary finite element method. Results from a number of benchmark simulations are discussed.

Original languageEnglish (US)
Pages (from-to)328-335
Number of pages8
JournalJournal of Crystal Growth
Volume230
Issue number1-2
DOIs
StatePublished - Aug 2001

Bibliographical note

Funding Information:
This work was supported in part by the National Science Foundation Grant CTS-9713044 and the University of Minnesota Army High Performance Computing Research Center under the auspices of the Department of the Army, Army Research Laboratory cooperative agreement DAAH04-95-2-0003/contract DAAH04-95-C-0008, the content of which does not necessarily reflect the position or policy of the government, and no official endorsement should be inferred. Additional computational resources were provided by the University of Minnesota Supercomputing Institute. YIK would like to gratefully acknowledge significant input from B. Vartak and A. Yeckel.

Keywords

  • A1. Computer simulation
  • A1. Growth models
  • A1. Mass transfer
  • A1. Surface processes
  • A2. Growth from solutions

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