Computer simulation of (n, γ) recoil damage in hexahalorhenate crystals

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Abstract
A comprehensive computer program, originally written to simulate radiation damage in metals, has been applied to a study of recoil damage following (n, γ) activation of the halogen ligands in crystals of K2[ReCl6], K2[ReBr6], and their mixtures. Calculations were made of the retention of radiohalogen in the complex anions and of the primary retention of the radiohalogens in their own original ions, both quantities as functions of the initial recoil energy. Assuming a volume for the spontaneous recombination of vacancies and interstitials containing about 50 halogen sites, good agreement is achieved between the calculations and recent experiments in the pure crystals. The retention was found to be independent of recoil energy, a result which appears to be quite general. Failure of the calculations to account for the very low retention of radiochlorine in dilute solutions of K2[ReCl6] in K2[ReBr6] is attributed to difficulties of energy accomodation between nearly thermal Cl recoils and the host crystal.