Computer simulation techniques based on discrete lattice approach and empirical many-body potentials have been used to study the structure and energy of S = 5, and S = 13 coincident site lattice (001) twist boundaries in three fcc metals. Energy computed for S = 5 boundary in copper is 17.5 % less than the earlier result obtained by using pair potential. However the present calculations of twist boundary energies are somewhat higher than the results obtained using embedded atom method.
Alan : Fen Bilimleri ve Matematik
Dergi Türü : Uluslararası
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