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On The Study Of Grain Boundary Segregation Using X-Ray Diffraction And Computer Simulation

Published online by Cambridge University Press:  25 February 2011

C. A. Counterman,
I. Majid,
P. D. Bristowe and
R. W. Balluffi
C. A. Counterman
Affiliation:
Department of Materials Science and Engineering Massachusetts Institute of Technology, Cambridge, MA 02139
I. Majid
Affiliation:
Department of Materials Science and Engineering Massachusetts Institute of Technology, Cambridge, MA 02139
P. D. Bristowe
Affiliation:
Department of Materials Science and Engineering Massachusetts Institute of Technology, Cambridge, MA 02139
R. W. Balluffi
Affiliation:
Department of Materials Science and Engineering Massachusetts Institute of Technology, Cambridge, MA 02139
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Abstract

The possibility of studying grain boundary segregation using X-ray diffraction is explored by performing a computer simulation of the diffraction effects expected from the segregation of solute atoms to grain boundaries in two gold alloy systems, i.e. Au-Ag and Au-Ni. Using atomistic Monte-Carlo and molecular statics methods, equilibrium boundary structures are determined and analyzed by computing the grain boundary structure factors. Various changes in both relative and absolute grain boundary structure factors are found which can be directly related to structural and compositional changes due to segregation. In addition, systematic diffraction effects are found as a function of boundary misorientation. The experimental conditions required for verifying these predictions are discussed.

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References

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