Turkish Journal of Physics
Computer simulation techniques based on discrete lattice approach and empirical many-body potentials have been used to study the structure and energy of $\Sigma = 5$, and $\Sigma = 13$ coincident site lattice (001) twist boundaries in three fcc metals. Energy computed for $\Sigma = 5$ 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.
GHAFOOR, A.; AHMAD, S.A.; and FARIDI, B.A.S. (1998) "The Structure of (001) CSL Twist Boundaries in fcc Metals," Turkish Journal of Physics: Vol. 22: No. 8, Article 3. Available at: https://journals.tubitak.gov.tr/physics/vol22/iss8/3