Phase Field Crystal Study of Symmetric Tilt Grain Boundaries of Iron

Details Phase Field Crystal Study of Symmetric Tilt Grain Boundaries of Iron Phase Field Crystal Study of Symmetric Tilt Grain Boundaries of Iron

2010-06-21

arxiv.org/abs/1006.5405v1

Technische Mechanik 30, 169-176 (2010)

Physics

Condensed Matter

Materials Science

Scientific paper

We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen et al., Phys. Rev. B 80, 031602 (2009)]. The grain boundary free energies we obtain from the model are in good agreement with previous results from molecular dynamics simulations and experiments.

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