## Abstract Divacancy binding energies __E__^b^~2V~ in f.c.c. metals are calculated with aid of an atomisticβcontinual model used earlier for single vacancy formation energy calculations. The main part of __E__^b^~2V~ stems from the first nearestβneighbor (Inn) atomic environment of the divacancy.
Divacancy in H.C.P. Metals
β Scribed by A. M. Monti
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 825 KB
- Volume
- 126
- Category
- Article
- ISSN
- 0370-1972
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β¦ Synopsis
Abstract
Static properties of divacancies at first, second, third, and fourth neighbours are investigated in a h.c.p. lattice by using computer simulation techniques. The calculations are performed with short range pair interatomic potentials fitted to some Mg properties. The formation, relaxation, and binding energies as well as the strength dipole tensor of the above defects are computed and the results compared with those of earlier authors. The corresponding formation and binding entropies are also calculated and the defect stability analysed. From the results, the instability of the third neighbour divacancy can be predicted.
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