"Lattice dynamics studies of grain boundary structures. I. Method and a" by Y. Y. Earmme, J. K. Lee et al.
 

Lattice dynamics studies of grain boundary structures. I. Method and application to stability

Document Type

Article

Publication Date

2-1-1980

Department

Department of Materials Science and Engineering

Abstract

The method of lattice dynamics has been applied to an atomistic model of a grain boundary with emphasis on its utility in examining structural instability. A 36.9° [001] coincidence symmetrical tilt boundary was used with a Morse pairwise potential. Several structures derived by a static relaxation procedure were studied. Stable structures are characterized by a vibrational spectrum consisting of real frequencies only, while one of the statically relaxed structures yielded a pair of imaginary frequencies and therefore was unstable. A comparison of the lattice dynamics method with other methods for testing stability of a defect configuration is given.

Publication Title

Surface Science

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