Twist-boundary energy in aluminium an ab initio calculation

Abstract
The variational method of Fletcher and Adamson is used, together with an interaction potential due to Harrison, to calculate the energy of a (100) twist boundary in aluminium as a function of twist angle. The calculated energy rises from a cusped zero for zero misfit to high-angle misfit values of about 500 to 700 erg cm−2, in reasonable agreement with the only experimental data available.