V.K. Tewary1, M. D. Vaudin2
CMC-Computers, Materials & Continua, Vol.25, No.3, pp. 265-290, 2011, DOI:10.3970/cmc.2011.025.265
Abstract A semicontiuum Green's-function-based model is proposed for analysis of averaged mechanical characteristics of SixGe1 - x. The atomistic forces in the model are distributed at discrete lattice sites, but the Green's function is approximated by the continuum GF in the far field and by the averaged lattice GF in the near field. Averaging is achieved by replacing Si and Ge atoms by identical hypothetical atoms that are x fraction Si and (1-x) fraction Ge. The parameters of the model are derived using the atomistic model from the interatomic potential between the hypothetical atoms. The interatomic potential is obtained from the… More >
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