An Enhanced Facet Determination Scheme in 3D
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An enhanced scheme for the determination of equilibrium crystal shapes is introduced. The emphasis of the present study is put on the proper detection of the facets appearing on the crystal surface. The original formulation presented in  employs the principle of the virtual work, and the enhanced scheme additionally makes use of a penalty formulation approach. The derivation of the penalty terms is discussed in detail. Finally, the corresponding discrete method is applied to a certain problematic example case presented in  resulting now in the correct crystal shape.
KeywordsCrystal shape Facets Virtual work Penalty method
We would like to thank Dr. H. Junes for helpful discussions.
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