Molecular dynamics computer simulations were used to investigate the defect production that was caused by energetic displacement cascades of up to 10keV in pure metals or ordered intermetallic alloys. Various model potentials were used to describe the many-body nature of the interactions. The Rosato-Guillope-Legrand model was used in the case of pure Cu and Ni, while a modified version of the Vitek-Ackland-Cserti potential was used in the case of Ni3Al and the potentials of Foiles and Daw (as modified by Rubini and Ballone) were used in the case of NiAl. Atomic mixing and disordering were studied in detail, and were determined at various phases of the cascade. Mixing mechanisms were identified.

N.V.Doan, H.Tietze: Nuclear Instruments and Methods in Physics Research B, 1995, 102[1-4], 58-66