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Papers by Keyword: Quasiharmonic Method

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Improved Quasiharmonic Methods for Grain Boundary Free Energy Calculations in Silicon

Authors: A. Hairie, F. Hairie, Gerard Nouet, E. Paumier, A.P. Sutton

91

Calculation of the Free Energy of Different Configurations of {001}Σ=13 Grain Boundary in Silicon by the Quasiharmonic Method

Authors: B. Lebouvier, A. Hairie, F. Hairie, Gerard Nouet, E. Paumier

85