Recombination of frenkel pairs in hcp metals modelled by computer

• Published in: Journal of nuclear materials Vol. 161; no. 2; pp. 117 - 123
• Main Authors: De Diego, N., Bacon, D.J.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.02.1989
• ISSN: 0022-3115; 1873-4820
• DOI: 10.1016/0022-3115(89)90472-8

The spontaneous recombination of vacancies and self-interstitials in the hcp structure is considered. The recombination volume is presented for model crystals using several different interatomic potentials, and its size and shape is found to depend on the range and form of the potential for a particular model. It also depends sensitively on the site adopted by the self-interstitial, and this is investigated in detail. The recombination coefficient used in the rate theory of defect evolution has also been obtained for each case. From the results for the potential considered to be the most realistic, it is concluded that the coefficient is up to an order of magnitude larger than has been estimated previously, and is largest for the non-basal crowdion interstitial.