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Surface Relaxations of Aluminum Simulated by Bond Order Potentials
Published online by Cambridge University Press: 15 February 2011
Abstract
An interatomic potential for aluminum was developed, which is based on empirical tight binding approximations. The model successfully reproduced the shear constants, structure energy differences, and phonon dispersion curves. This transferable potential was applied on static surface relaxations, and shows good agreements with experimental results on the oscillatory damped behavior of the multilayer relaxations and the expansion of the (111) surface.
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- Copyright © Materials Research Society 2000