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Article
In Situ Observation of Antisite Defect Formation during Crystal Growth
Physical Review Letters
  • Matthew J. Kramer, Iowa State University
  • Mikhail I. Mendelev, Iowa State University
  • Ralph E. Napolitano, Iowa State University
Document Type
Article
Publication Date
12-10-2010
DOI
10.1103/PhysRevLett.105.245501
Abstract

In situ x-ray diffraction (XRD) coupled with molecular dynamics (MD) simulations have been used to quantify antisite defect trapping during crystallization. Rietveld refinement of the XRD data revealed a marked lattice distortion which involves an a axis expansion and a c axis contraction of the stable C11b phase. The observed lattice response is proportional in magnitude to the growth rate, suggesting that the behavior is associated with the kinetic trapping of lattice defects. MD simulations demonstrate that this lattice response is due to incorporation of 1% to 2% antisite defects during growth.

Comments

This article is from Physical Review Letters 105 (2010): 245501, doi:10.1103/PhysRevLett.105.245501. Posted with permission.

Copyright Owner
American Physical Society
Language
en
Date Available
2014-09-02
File Format
application/pdf
Citation Information
Matthew J. Kramer, Mikhail I. Mendelev and Ralph E. Napolitano. "In Situ Observation of Antisite Defect Formation during Crystal Growth" Physical Review Letters Vol. 105 (2010) p. 245501
Available at: http://works.bepress.com/ralph_napolitano/2/